view test-data/test.gro @ 6:b17ce46509ad draft default tip

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
author chemteam
date Fri, 13 Nov 2020 19:39:59 +0000
parents 5c38e38dbc35
children
line wrap: on
line source

Glycine aRginine prOline Methionine Alanine Cystine Serine
61649
    2SER      N    1   2.371   0.440   0.529
    2SER    HT1    2   2.277   0.401   0.505
    2SER    HT2    3   2.399   0.406   0.623
    2SER    HT3    4   2.441   0.402   0.461
    2SER     CA    5   2.369   0.591   0.523
    2SER     HA    6   2.305   0.626   0.603
    2SER     CB    7   2.513   0.648   0.547
    2SER    HB1    8   2.550   0.611   0.645
    2SER    HB2    9   2.511   0.759   0.552
    2SER     OG   10   2.603   0.606   0.444
    2SER    HG1   11   2.693   0.638   0.465
    2SER      C   12   2.309   0.645   0.394
    2SER      O   13   2.229   0.574   0.331
    3ALA      N   14   2.342   0.767   0.352
    3ALA     HN   15   2.411   0.824   0.396
    3ALA     CA   16   2.294   0.828   0.229
    3ALA     HA   17   2.242   0.755   0.168
    3ALA     CB   18   2.201   0.948   0.258
    3ALA    HB1   19   2.251   1.022   0.324
    3ALA    HB2   20   2.109   0.913   0.308
    3ALA    HB3   21   2.172   0.998   0.164
    3ALA      C   22   2.415   0.875   0.151
    3ALA      O   23   2.517   0.908   0.207
    4CYS      N   24   2.401   0.875   0.017
    4CYS     HN   25   2.314   0.848  -0.026
    4CYS     CA   26   2.503   0.915  -0.077
    4CYS     HA   27   2.577   0.976  -0.027
    4CYS     CB   28   2.570   0.795  -0.148
    4CYS    HB1   29   2.626   0.829  -0.238
    4CYS    HB2   30   2.491   0.726  -0.185
    4CYS     SG   31   2.689   0.708  -0.041
    4CYS      C   32   2.434   1.003  -0.177
    4CYS      O   33   2.310   1.011  -0.185
    5THR      N   34   2.513   1.082  -0.251
    5THR     HN   35   2.612   1.073  -0.243
    5THR     CA   36   2.463   1.189  -0.334
    5THR     HA   37   2.359   1.168  -0.361
    5THR     CB   38   2.471   1.327  -0.267
    5THR     HB   39   2.436   1.406  -0.337
    5THR    OG1   40   2.605   1.358  -0.227
    5THR    HG1   41   2.654   1.352  -0.310
    5THR    CG2   42   2.379   1.330  -0.145
    5THR   HG21   43   2.413   1.259  -0.066
    5THR   HG22   44   2.276   1.300  -0.175
    5THR   HG23   45   2.375   1.431  -0.100
    5THR      C   46   2.539   1.190  -0.465
    5THR      O   47   2.581   1.296  -0.511
    6LEU      N   48   2.559   1.072  -0.527
    6LEU     HN   49   2.522   0.985  -0.489
    6LEU     CA   50   2.613   1.064  -0.662
    6LEU     HA   51   2.693   1.135  -0.673
    6LEU     CB   52   2.664   0.921  -0.694
    6LEU    HB1   53   2.704   0.919  -0.798
    6LEU    HB2   54   2.578   0.850  -0.687
    6LEU     CG   55   2.774   0.867  -0.600
    6LEU     HG   56   2.733   0.865  -0.496
    6LEU    CD1   57   2.810   0.722  -0.638
    6LEU   HD11   58   2.849   0.716  -0.741
    6LEU   HD12   59   2.718   0.658  -0.631
    6LEU   HD13   60   2.885   0.680  -0.568
    6LEU    CD2   61   2.900   0.954  -0.602
    6LEU   HD21   62   2.877   1.056  -0.564
    6LEU   HD22   63   2.939   0.964  -0.705
    6LEU   HD23   64   2.979   0.910  -0.538
    6LEU      C   65   2.505   1.102  -0.763
    6LEU      O   66   2.529   1.158  -0.868
    7GLN      N   67   2.378   1.075  -0.725
    7GLN     HN   68   2.357   1.024  -0.641
    7GLN     CA   69   2.262   1.113  -0.801
    7GLN     HA   70   2.291   1.166  -0.890
    7GLN     CB   71   2.178   0.990  -0.840
    7GLN    HB1   72   2.098   1.021  -0.910
    7GLN    HB2   73   2.128   0.948  -0.749
    7GLN     CG   74   2.265   0.878  -0.901
    7GLN    HG1   75   2.333   0.834  -0.825
    7GLN    HG2   76   2.327   0.921  -0.984
    7GLN     CD   77   2.181   0.767  -0.962
    7GLN    OE1   78   2.190   0.744  -1.082
    7GLN    NE2   79   2.097   0.701  -0.879
    7GLN   HE21   80   2.085   0.731  -0.785
    7GLN   HE22   81   2.035   0.634  -0.921
    7GLN      C   82   2.183   1.207  -0.712
    7GLN      O   83   2.176   1.194  -0.590
    8SER      N   84   2.125   1.313  -0.770
    8SER     HN   85   2.120   1.326  -0.868
    8SER     CA   86   2.049   1.408  -0.692
    8SER     HA   87   2.102   1.426  -0.599
    8SER     CB   88   2.035   1.544  -0.763
    8SER    HB1   89   2.137   1.588  -0.771
    8SER    HB2   90   1.971   1.615  -0.705
    8SER     OG   91   1.987   1.530  -0.897
    8SER    HG1   92   1.897   1.493  -0.894
    8SER      C   93   1.913   1.356  -0.653
    8SER      O   94   1.836   1.312  -0.739
    9GLU      N   95   1.878   1.361  -0.524
    9GLU     HN   96   1.939   1.399  -0.454
    9GLU     CA   97   1.747   1.325  -0.477
    9GLU     HA   98   1.703   1.252  -0.544
    9GLU     CB   99   1.749   1.263  -0.335
    9GLU    HB1  100   1.803   1.331  -0.266
    9GLU    HB2  101   1.808   1.168  -0.340
    9GLU     CG  102   1.609   1.230  -0.275
    9GLU    HG1  103   1.547   1.322  -0.264
    9GLU    HG2  104   1.621   1.188  -0.173
    9GLU     CD  105   1.533   1.126  -0.358
    9GLU    OE1  106   1.593   1.059  -0.442
    9GLU    OE2  107   1.408   1.106  -0.335
    9GLU      C  108   1.660   1.448  -0.481
    9GLU      O  109   1.694   1.553  -0.426
   10THR      N  110   1.548   1.441  -0.555
   10THR     HN  111   1.522   1.354  -0.598
   10THR     CA  112   1.455   1.551  -0.566
   10THR     HA  113   1.464   1.616  -0.480
   10THR     CB  114   1.471   1.632  -0.695
   10THR     HB  115   1.462   1.563  -0.783
   10THR    OG1  116   1.599   1.693  -0.700
   10THR    HG1  117   1.658   1.624  -0.668
   10THR    CG2  118   1.365   1.743  -0.706
   10THR   HG21  119   1.362   1.802  -0.612
   10THR   HG22  120   1.264   1.700  -0.724
   10THR   HG23  121   1.390   1.810  -0.791
   10THR      C  122   1.318   1.492  -0.564
   10THR      O  123   1.284   1.410  -0.649
   11HSD      N  124   1.235   1.532  -0.467
   11HSD     HN  125   1.265   1.597  -0.398
   11HSD     CA  126   1.102   1.477  -0.448
   11HSD     HA  127   1.105   1.370  -0.468
   11HSD     CB  128   1.060   1.495  -0.301
   11HSD    HB1  129   0.963   1.444  -0.281
   11HSD    HB2  130   1.048   1.603  -0.278
   11HSD    ND1  131   1.223   1.513  -0.106
   11HSD    HD1  132   1.214   1.612  -0.090
   11HSD     CG  133   1.161   1.439  -0.204
   11HSD    CE1  134   1.298   1.427  -0.033
   11HSD    HE1  135   1.356   1.455   0.054
   11HSD    NE2  136   1.288   1.304  -0.078
   11HSD    CD2  137   1.201   1.310  -0.185
   11HSD    HD2  138   1.174   1.221  -0.240
   11HSD      C  139   1.001   1.546  -0.538
   11HSD      O  140   0.996   1.671  -0.535
   12PRO      N  141   0.919   1.481  -0.620
   12PRO     CD  142   0.939   1.342  -0.663
   12PRO    HD1  143   0.901   1.273  -0.584
   12PRO    HD2  144   1.046   1.320  -0.682
   12PRO     CA  145   0.811   1.545  -0.693
   12PRO     HA  146   0.859   1.616  -0.758
   12PRO     CB  147   0.745   1.432  -0.774
   12PRO    HB1  148   0.706   1.467  -0.871
   12PRO    HB2  149   0.661   1.386  -0.716
   12PRO     CG  150   0.856   1.327  -0.790
   12PRO    HG1  151   0.816   1.224  -0.803
   12PRO    HG2  152   0.918   1.353  -0.879
   12PRO      C  153   0.712   1.619  -0.603
   12PRO      O  154   0.660   1.554  -0.513
   13PRO      N  155   0.682   1.749  -0.618
   13PRO     CD  156   0.727   1.833  -0.729
   13PRO    HD1  157   0.722   1.780  -0.826
   13PRO    HD2  158   0.832   1.864  -0.707
   13PRO     CA  159   0.582   1.817  -0.537
   13PRO     HA  160   0.605   1.803  -0.432
   13PRO     CB  161   0.594   1.964  -0.580
   13PRO    HB1  162   0.677   2.011  -0.523
   13PRO    HB2  163   0.501   2.021  -0.563
   13PRO     CG  164   0.633   1.953  -0.728
   13PRO    HG1  165   0.543   1.930  -0.787
   13PRO    HG2  166   0.680   2.046  -0.767
   13PRO      C  167   0.444   1.761  -0.560
   13PRO      O  168   0.410   1.724  -0.673
   14LEU      N  169   0.362   1.755  -0.454
   14LEU     HN  170   0.393   1.785  -0.364
   14LEU     CA  171   0.225   1.713  -0.465
   14LEU     HA  172   0.188   1.735  -0.565
   14LEU     CB  173   0.210   1.562  -0.435
   14LEU    HB1  174   0.246   1.542  -0.331
   14LEU    HB2  175   0.278   1.506  -0.504
   14LEU     CG  176   0.068   1.504  -0.450
   14LEU     HG  177  -0.002   1.560  -0.384
   14LEU    CD1  178   0.017   1.514  -0.595
   14LEU   HD11  179   0.087   1.464  -0.665
   14LEU   HD12  180   0.006   1.620  -0.626
   14LEU   HD13  181  -0.082   1.465  -0.604
   14LEU    CD2  182   0.066   1.357  -0.405
   14LEU   HD21  183   0.103   1.348  -0.301
   14LEU   HD22  184   0.131   1.295  -0.472
   14LEU   HD23  185  -0.037   1.317  -0.410
   14LEU      C  186   0.144   1.796  -0.369
   14LEU      O  187   0.174   1.806  -0.250
   15THR      N  188   0.039   1.863  -0.419
   15THR     HN  189   0.015   1.860  -0.516
   15THR     CA  190  -0.046   1.946  -0.335
   15THR     HA  191   0.007   1.970  -0.244
   15THR     CB  192  -0.086   2.080  -0.395
   15THR     HB  193  -0.146   2.137  -0.320
   15THR    OG1  194  -0.162   2.070  -0.515
   15THR    HG1  195  -0.194   2.160  -0.529
   15THR    CG2  196   0.041   2.160  -0.426
   15THR   HG21  197   0.103   2.109  -0.502
   15THR   HG22  198   0.101   2.174  -0.334
   15THR   HG23  199   0.015   2.261  -0.465
   15THR      C  200  -0.169   1.869  -0.292
   15THR      O  201  -0.210   1.770  -0.352
   16TRP      N  202  -0.229   1.913  -0.181
   16TRP     HN  203  -0.196   1.993  -0.132
   16TRP     CA  204  -0.343   1.846  -0.123
   16TRP     HA  205  -0.409   1.815  -0.203
   16TRP     CB  206  -0.303   1.720  -0.040
   16TRP    HB1  207  -0.257   1.648  -0.110
   16TRP    HB2  208  -0.394   1.672  -0.001
   16TRP     CG  209  -0.207   1.742   0.074
   16TRP    CD1  210  -0.070   1.755   0.066
   16TRP    HD1  211  -0.014   1.753  -0.027
   16TRP    NE1  212  -0.019   1.769   0.192
   16TRP    HE1  213   0.076   1.775   0.218
   16TRP    CE2  214  -0.119   1.763   0.284
   16TRP    CD2  215  -0.240   1.745   0.214
   16TRP    CE3  216  -0.360   1.734   0.284
   16TRP    HE3  217  -0.454   1.719   0.233
   16TRP    CZ3  218  -0.357   1.742   0.424
   16TRP    HZ3  219  -0.449   1.732   0.479
   16TRP    CZ2  220  -0.116   1.770   0.423
   16TRP    HZ2  221  -0.022   1.783   0.475
   16TRP    CH2  222  -0.236   1.758   0.492
   16TRP    HH2  223  -0.235   1.758   0.600
   16TRP      C  224  -0.418   1.950  -0.044
   16TRP      O  225  -0.373   2.065  -0.031
   17GLN      N  226  -0.537   1.917   0.006
   17GLN     HN  227  -0.573   1.824  -0.010
   17GLN     CA  228  -0.626   2.010   0.072
   17GLN     HA  229  -0.583   2.109   0.073
   17GLN     CB  230  -0.764   2.012   0.003
   17GLN    HB1  231  -0.837   2.069   0.065
   17GLN    HB2  232  -0.800   1.908  -0.003
   17GLN     CG  233  -0.764   2.073  -0.139
   17GLN    HG1  234  -0.863   2.058  -0.185
   17GLN    HG2  235  -0.689   2.021  -0.202
   17GLN     CD  236  -0.738   2.223  -0.135
   17GLN    OE1  237  -0.808   2.295  -0.063
   17GLN    NE2  238  -0.642   2.274  -0.215
   17GLN   HE21  239  -0.634   2.374  -0.218
   17GLN   HE22  240  -0.592   2.214  -0.277
   17GLN      C  241  -0.647   1.969   0.217
   17GLN      O  242  -0.672   1.854   0.247
   18LYS      N  243  -0.643   2.068   0.308
   18LYS     HN  244  -0.622   2.162   0.282
   18LYS     CA  245  -0.681   2.044   0.446
   18LYS     HA  246  -0.704   1.939   0.461
   18LYS     CB  247  -0.572   2.082   0.548
   18LYS    HB1  248  -0.557   2.193   0.548
   18LYS    HB2  249  -0.477   2.036   0.513
   18LYS     CG  250  -0.602   2.029   0.689
   18LYS    HG1  251  -0.599   1.918   0.685
   18LYS    HG2  252  -0.706   2.058   0.719
   18LYS     CD  253  -0.505   2.082   0.795
   18LYS    HD1  254  -0.524   2.191   0.804
   18LYS    HD2  255  -0.400   2.071   0.761
   18LYS     CE  256  -0.523   2.022   0.936
   18LYS    HE1  257  -0.629   2.030   0.967
   18LYS    HE2  258  -0.460   2.078   1.007
   18LYS     NZ  259  -0.484   1.879   0.943
   18LYS    HZ1  260  -0.382   1.870   0.916
   18LYS    HZ2  261  -0.543   1.823   0.879
   18LYS    HZ3  262  -0.494   1.842   1.040
   18LYS      C  263  -0.807   2.123   0.471
   18LYS      O  264  -0.810   2.247   0.457
   19CYS      N  265  -0.916   2.053   0.503
   19CYS     HN  266  -0.908   1.953   0.517
   19CYS     CA  267  -1.048   2.108   0.522
   19CYS     HA  268  -1.051   2.208   0.481
   19CYS     CB  269  -1.156   2.025   0.449
   19CYS    HB1  270  -1.257   2.069   0.465
   19CYS    HB2  271  -1.158   1.922   0.492
   19CYS     SG  272  -1.125   2.012   0.271
   19CYS      C  273  -1.080   2.122   0.669
   19CYS      O  274  -1.012   2.070   0.757
   20SER      N  275  -1.184   2.200   0.700
   20SER     HN  276  -1.239   2.242   0.628
   20SER     CA  277  -1.219   2.236   0.835
   20SER     HA  278  -1.175   2.165   0.905
   20SER     CB  279  -1.174   2.380   0.870
   20SER    HB1  280  -1.064   2.388   0.858
   20SER    HB2  281  -1.197   2.404   0.976
   20SER     OG  282  -1.238   2.478   0.788
   20SER    HG1  283  -1.200   2.474   0.699
   20SER      C  284  -1.368   2.228   0.854
   20SER      O  285  -1.447   2.229   0.760
   21SER      N  286  -1.412   2.226   0.981
   21SER     HN  287  -1.350   2.226   1.059
   21SER     CA  288  -1.552   2.220   1.019
   21SER     HA  289  -1.601   2.146   0.956
   21SER     CB  290  -1.566   2.177   1.167
   21SER    HB1  291  -1.521   2.076   1.178
   21SER    HB2  292  -1.673   2.169   1.196
   21SER     OG  293  -1.495   2.268   1.252
   21SER    HG1  294  -1.550   2.347   1.260
   21SER      C  295  -1.625   2.352   1.000
   21SER      O  296  -1.746   2.360   1.013
   22GLY      N  297  -1.549   2.461   0.971
   22GLY     HN  298  -1.450   2.451   0.966
   22GLY     CA  299  -1.604   2.591   0.933
   22GLY    HA1  300  -1.523   2.663   0.936
   22GLY    HA2  301  -1.686   2.617   0.999
   22GLY      C  302  -1.657   2.591   0.792
   22GLY      O  303  -1.741   2.674   0.755
   23GLY      N  304  -1.610   2.497   0.709
   23GLY     HN  305  -1.542   2.431   0.744
   23GLY     CA  306  -1.661   2.475   0.575
   23GLY    HA1  307  -1.756   2.525   0.561
   23GLY    HA2  308  -1.668   2.368   0.561
   23GLY      C  309  -1.567   2.526   0.470
   23GLY      O  310  -1.609   2.554   0.358
   24THR      N  311  -1.439   2.539   0.503
   24THR     HN  312  -1.408   2.519   0.596
   24THR     CA  313  -1.336   2.591   0.415
   24THR     HA  314  -1.376   2.602   0.315
   24THR     CB  315  -1.277   2.725   0.458
   24THR     HB  316  -1.189   2.753   0.396
   24THR    OG1  317  -1.238   2.724   0.595
   24THR    HG1  318  -1.215   2.816   0.618
   24THR    CG2  319  -1.386   2.832   0.441
   24THR   HG21  320  -1.471   2.813   0.510
   24THR   HG22  321  -1.424   2.830   0.337
   24THR   HG23  322  -1.345   2.933   0.461
   24THR      C  323  -1.224   2.490   0.406
   24THR      O  324  -1.196   2.416   0.499
   25CYS      N  325  -1.157   2.486   0.288
   25CYS     HN  326  -1.183   2.544   0.212
   25CYS     CA  327  -1.039   2.406   0.269
   25CYS     HA  328  -1.008   2.363   0.362
   25CYS     CB  329  -1.057   2.294   0.163
   25CYS    HB1  330  -0.964   2.233   0.157
   25CYS    HB2  331  -1.072   2.342   0.064
   25CYS     SG  332  -1.200   2.185   0.194
   25CYS      C  333  -0.928   2.498   0.227
   25CYS      O  334  -0.952   2.611   0.179
   26THR      N  335  -0.804   2.457   0.250
   26THR     HN  336  -0.789   2.365   0.288
   26THR     CA  337  -0.684   2.536   0.227
   26THR     HA  338  -0.705   2.612   0.154
   26THR     CB  339  -0.625   2.599   0.354
   26THR     HB  340  -0.522   2.639   0.334
   26THR    OG1  341  -0.621   2.507   0.463
   26THR    HG1  342  -0.702   2.456   0.454
   26THR    CG2  343  -0.715   2.715   0.397
   26THR   HG21  344  -0.816   2.679   0.426
   26THR   HG22  345  -0.728   2.788   0.314
   26THR   HG23  346  -0.670   2.768   0.484
   26THR      C  347  -0.579   2.444   0.168
   26THR      O  348  -0.559   2.334   0.215
   27GLN      N  349  -0.511   2.490   0.059
   27GLN     HN  350  -0.537   2.576   0.015
   27GLN     CA  351  -0.401   2.414   0.002
   27GLN     HA  352  -0.441   2.315  -0.018
   27GLN     CB  353  -0.355   2.470  -0.136
   27GLN    HB1  354  -0.321   2.574  -0.122
   27GLN    HB2  355  -0.445   2.473  -0.202
   27GLN     CG  356  -0.243   2.386  -0.204
   27GLN    HG1  357  -0.276   2.280  -0.209
   27GLN    HG2  358  -0.149   2.390  -0.146
   27GLN     CD  359  -0.212   2.431  -0.347
   27GLN    OE1  360  -0.234   2.360  -0.445
   27GLN    NE2  361  -0.156   2.553  -0.360
   27GLN   HE21  362  -0.128   2.582  -0.451
   27GLN   HE22  363  -0.123   2.601  -0.279
   27GLN      C  364  -0.283   2.392   0.096
   27GLN      O  365  -0.239   2.480   0.170
   28GLN      N  366  -0.229   2.270   0.093
   28GLN     HN  367  -0.271   2.199   0.035
   28GLN     CA  368  -0.111   2.228   0.162
   28GLN     HA  369  -0.066   2.310   0.217
   28GLN     CB  370  -0.140   2.106   0.252
   28GLN    HB1  371  -0.049   2.081   0.312
   28GLN    HB2  372  -0.163   2.018   0.188
   28GLN     CG  373  -0.261   2.123   0.348
   28GLN    HG1  374  -0.270   2.030   0.408
   28GLN    HG2  375  -0.354   2.134   0.289
   28GLN     CD  376  -0.245   2.240   0.445
   28GLN    OE1  377  -0.160   2.240   0.533
   28GLN    NE2  378  -0.333   2.343   0.434
   28GLN   HE21  379  -0.397   2.346   0.357
   28GLN   HE22  380  -0.324   2.418   0.498
   28GLN      C  381  -0.017   2.185   0.051
   28GLN      O  382  -0.061   2.140  -0.055
   29THR      N  383   0.115   2.199   0.070
   29THR     HN  384   0.152   2.230   0.157
   29THR     CA  385   0.212   2.159  -0.032
   29THR     HA  386   0.163   2.109  -0.114
   29THR     CB  387   0.293   2.276  -0.087
   29THR     HB  388   0.352   2.325  -0.007
   29THR    OG1  389   0.206   2.374  -0.144
   29THR    HG1  390   0.141   2.392  -0.075
   29THR    CG2  391   0.387   2.227  -0.199
   29THR   HG21  392   0.331   2.174  -0.278
   29THR   HG22  393   0.464   2.158  -0.159
   29THR   HG23  394   0.440   2.313  -0.245
   29THR      C  395   0.307   2.060   0.031
   29THR      O  396   0.377   2.093   0.126
   30GLY      N  397   0.308   1.936  -0.022
   30GLY     HN  398   0.253   1.913  -0.102
   30GLY     CA  399   0.398   1.830   0.020
   30GLY    HA1  400   0.337   1.747   0.053
   30GLY    HA2  401   0.468   1.864   0.094
   30GLY      C  402   0.476   1.783  -0.099
   30GLY      O  403   0.488   1.852  -0.201
   31SER      N  404   0.530   1.662  -0.092
   31SER     HN  405   0.521   1.604  -0.011
   31SER     CA  406   0.607   1.603  -0.200
   31SER     HA  407   0.555   1.621  -0.293
   31SER     CB  408   0.753   1.657  -0.211
   31SER    HB1  409   0.748   1.765  -0.233
   31SER    HB2  410   0.805   1.607  -0.295
   31SER     OG  411   0.826   1.639  -0.089
   31SER    HG1  412   0.916   1.671  -0.101
   31SER      C  413   0.603   1.454  -0.178
   31SER      O  414   0.555   1.409  -0.075
   32VAL      N  415   0.646   1.373  -0.277
   32VAL     HN  416   0.681   1.410  -0.362
   32VAL     CA  417   0.645   1.228  -0.266
   32VAL     HA  418   0.610   1.200  -0.168
   32VAL     CB  419   0.554   1.157  -0.367
   32VAL     HB  420   0.564   1.047  -0.354
   32VAL    CG1  421   0.407   1.194  -0.337
   32VAL   HG11  422   0.390   1.303  -0.350
   32VAL   HG12  423   0.382   1.166  -0.232
   32VAL   HG13  424   0.339   1.139  -0.405
   32VAL    CG2  425   0.591   1.192  -0.513
   32VAL   HG21  426   0.695   1.163  -0.536
   32VAL   HG22  427   0.580   1.301  -0.530
   32VAL   HG23  428   0.524   1.139  -0.583
   32VAL      C  429   0.786   1.172  -0.275
   32VAL      O  430   0.870   1.224  -0.348
   33VAL      N  431   0.814   1.066  -0.198
   33VAL     HN  432   0.745   1.028  -0.136
   33VAL     CA  433   0.944   1.003  -0.193
   33VAL     HA  434   1.005   1.041  -0.274
   33VAL     CB  435   1.018   1.031  -0.063
   33VAL     HB  436   1.032   1.142  -0.058
   33VAL    CG1  437   0.937   0.988   0.060
   33VAL   HG11  438   0.927   0.878   0.064
   33VAL   HG12  439   0.835   1.034   0.061
   33VAL   HG13  440   0.989   1.021   0.152
   33VAL    CG2  441   1.158   0.967  -0.060
   33VAL   HG21  442   1.219   1.002  -0.146
   33VAL   HG22  443   1.152   0.856  -0.059
   33VAL   HG23  444   1.210   0.999   0.033
   33VAL      C  445   0.930   0.855  -0.218
   33VAL      O  446   0.839   0.790  -0.165
   34ILE      N  447   1.015   0.797  -0.305
   34ILE     HN  448   1.086   0.851  -0.350
   34ILE     CA  449   1.013   0.654  -0.335
   34ILE     HA  450   0.910   0.622  -0.329
   34ILE     CB  451   1.063   0.621  -0.475
   34ILE     HB  452   1.012   0.692  -0.545
   34ILE    CG2  453   1.215   0.644  -0.488
   34ILE   HG21  454   1.272   0.571  -0.426
   34ILE   HG22  455   1.243   0.747  -0.455
   34ILE   HG23  456   1.248   0.632  -0.593
   34ILE    CG1  457   1.021   0.479  -0.521
   34ILE   HG11  458   0.914   0.464  -0.495
   34ILE   HG12  459   1.079   0.403  -0.464
   34ILE     CD  460   1.037   0.455  -0.671
   34ILE    HD1  461   1.144   0.460  -0.701
   34ILE    HD2  462   0.981   0.531  -0.729
   34ILE    HD3  463   0.998   0.354  -0.699
   34ILE      C  464   1.086   0.575  -0.227
   34ILE      O  465   1.186   0.617  -0.171
   35ASP      N  466   1.030   0.455  -0.198
   35ASP     HN  467   0.944   0.428  -0.241
   35ASP     CA  468   1.082   0.359  -0.103
   35ASP     HA  469   1.084   0.409  -0.007
   35ASP     CB  470   0.983   0.241  -0.093
   35ASP    HB1  471   0.967   0.195  -0.192
   35ASP    HB2  472   0.884   0.279  -0.058
   35ASP     CG  473   1.028   0.134   0.004
   35ASP    OD1  474   1.085   0.031  -0.040
   35ASP    OD2  475   1.009   0.156   0.126
   35ASP      C  476   1.226   0.316  -0.130
   35ASP      O  477   1.276   0.311  -0.243
   36ALA      N  478   1.299   0.284  -0.022
   36ALA     HN  479   1.253   0.284   0.068
   36ALA     CA  480   1.438   0.248  -0.022
   36ALA     HA  481   1.492   0.332  -0.064
   36ALA     CB  482   1.485   0.226   0.123
   36ALA    HB1  483   1.430   0.142   0.169
   36ALA    HB2  484   1.465   0.318   0.183
   36ALA    HB3  485   1.594   0.205   0.126
   36ALA      C  486   1.472   0.127  -0.109
   36ALA      O  487   1.579   0.122  -0.169
   37ASN      N  488   1.382   0.026  -0.119
   37ASN     HN  489   1.292   0.033  -0.074
   37ASN     CA  490   1.406  -0.093  -0.200
   37ASN     HA  491   1.499  -0.136  -0.165
   37ASN     CB  492   1.292  -0.198  -0.189
   37ASN    HB1  493   1.292  -0.266  -0.276
   37ASN    HB2  494   1.193  -0.147  -0.184
   37ASN     CG  495   1.312  -0.286  -0.065
   37ASN    OD1  496   1.399  -0.265   0.018
   37ASN    ND2  497   1.234  -0.398  -0.062
   37ASN   HD21  498   1.246  -0.464   0.012
   37ASN   HD22  499   1.170  -0.416  -0.135
   37ASN      C  500   1.432  -0.066  -0.348
   37ASN      O  501   1.516  -0.131  -0.409
   38TRP      N  502   1.360   0.033  -0.407
   38TRP     HN  503   1.297   0.086  -0.351
   38TRP     CA  504   1.372   0.071  -0.547
   38TRP     HA  505   1.368  -0.019  -0.607
   38TRP     CB  506   1.254   0.164  -0.586
   38TRP    HB1  507   1.281   0.225  -0.675
   38TRP    HB2  508   1.235   0.236  -0.503
   38TRP     CG  509   1.126   0.093  -0.620
   38TRP    CD1  510   1.080   0.072  -0.747
   38TRP    HD1  511   1.131   0.106  -0.837
   38TRP    NE1  512   0.961   0.004  -0.744
   38TRP    HE1  513   0.903  -0.017  -0.820
   38TRP    CE2  514   0.928  -0.021  -0.614
   38TRP    CD2  515   1.029   0.033  -0.532
   38TRP    CE3  516   1.019   0.021  -0.394
   38TRP    HE3  517   1.092   0.063  -0.326
   38TRP    CZ3  518   0.908  -0.045  -0.341
   38TRP    HZ3  519   0.899  -0.055  -0.233
   38TRP    CZ2  520   0.818  -0.087  -0.562
   38TRP    HZ2  521   0.741  -0.129  -0.626
   38TRP    CH2  522   0.809  -0.099  -0.423
   38TRP    HH2  523   0.725  -0.149  -0.378
   38TRP      C  524   1.503   0.140  -0.580
   38TRP      O  525   1.547   0.144  -0.695
   39ARG      N  526   1.569   0.198  -0.479
   39ARG     HN  527   1.533   0.189  -0.386
   39ARG     CA  528   1.693   0.270  -0.493
   39ARG     HA  529   1.679   0.337  -0.577
   39ARG     CB  530   1.723   0.357  -0.369
   39ARG    HB1  531   1.817   0.415  -0.386
   39ARG    HB2  532   1.740   0.291  -0.281
   39ARG     CG  533   1.612   0.458  -0.339
   39ARG    HG1  534   1.515   0.404  -0.322
   39ARG    HG2  535   1.598   0.524  -0.428
   39ARG     CD  536   1.640   0.544  -0.216
   39ARG    HD1  537   1.737   0.598  -0.224
   39ARG    HD2  538   1.644   0.480  -0.124
   39ARG     NE  539   1.525   0.641  -0.203
   39ARG     HE  540   1.448   0.614  -0.147
   39ARG     CZ  541   1.521   0.758  -0.264
   39ARG    NH1  542   1.612   0.807  -0.339
   39ARG   HH11  543   1.696   0.753  -0.358
   39ARG   HH12  544   1.600   0.900  -0.380
   39ARG    NH2  545   1.410   0.834  -0.243
   39ARG   HH21  546   1.412   0.929  -0.276
   39ARG   HH22  547   1.336   0.797  -0.190
   39ARG      C  548   1.814   0.185  -0.526
   39ARG      O  549   1.827   0.067  -0.494
   40TRP      N  550   1.913   0.250  -0.592
   40TRP     HN  551   1.898   0.344  -0.621
   40TRP     CA  552   2.049   0.203  -0.596
   40TRP     HA  553   2.048   0.102  -0.635
   40TRP     CB  554   2.132   0.295  -0.690
   40TRP    HB1  555   2.133   0.396  -0.644
   40TRP    HB2  556   2.079   0.304  -0.787
   40TRP     CG  557   2.274   0.256  -0.720
   40TRP    CD1  558   2.329   0.129  -0.727
   40TRP    HD1  559   2.275   0.037  -0.706
   40TRP    NE1  560   2.460   0.139  -0.766
   40TRP    HE1  561   2.525   0.064  -0.777
   40TRP    CE2  562   2.493   0.270  -0.784
   40TRP    CD2  563   2.379   0.347  -0.757
   40TRP    CE3  564   2.385   0.486  -0.770
   40TRP    HE3  565   2.300   0.549  -0.746
   40TRP    CZ3  566   2.506   0.544  -0.809
   40TRP    HZ3  567   2.513   0.652  -0.814
   40TRP    CZ2  568   2.613   0.327  -0.823
   40TRP    HZ2  569   2.700   0.267  -0.843
   40TRP    CH2  570   2.618   0.466  -0.836
   40TRP    HH2  571   2.710   0.515  -0.865
   40TRP      C  572   2.111   0.199  -0.457
   40TRP      O  573   2.095   0.292  -0.377
   41THR      N  574   2.181   0.090  -0.424
   41THR     HN  575   2.187   0.012  -0.487
   41THR     CA  576   2.248   0.072  -0.297
   41THR     HA  577   2.247   0.164  -0.241
   41THR     CB  578   2.189  -0.041  -0.212
   41THR     HB  579   2.206  -0.140  -0.261
   41THR    OG1  580   2.048  -0.026  -0.199
   41THR    HG1  581   2.016  -0.005  -0.288
   41THR    CG2  582   2.248  -0.039  -0.071
   41THR   HG21  583   2.222   0.056  -0.020
   41THR   HG22  584   2.359  -0.048  -0.073
   41THR   HG23  585   2.207  -0.124  -0.012
   41THR      C  586   2.391   0.034  -0.330
   41THR      O  587   2.418  -0.060  -0.401
   42HSD      N  588   2.487   0.112  -0.276
   42HSD     HN  589   2.466   0.186  -0.213
   42HSD     CA  590   2.626   0.095  -0.313
   42HSD     HA  591   2.647  -0.009  -0.330
   42HSD     CB  592   2.663   0.176  -0.440
   42HSD    HB1  593   2.598   0.142  -0.523
   42HSD    HB2  594   2.768   0.158  -0.470
   42HSD    ND1  595   2.739   0.414  -0.384
   42HSD    HD1  596   2.832   0.391  -0.348
   42HSD     CG  597   2.642   0.323  -0.423
   42HSD    CE1  598   2.684   0.535  -0.388
   42HSD    HE1  599   2.736   0.628  -0.360
   42HSD    NE2  600   2.559   0.531  -0.428
   42HSD    CD2  601   2.533   0.399  -0.451
   42HSD    HD2  602   2.434   0.368  -0.485
   42HSD      C  603   2.709   0.136  -0.195
   42HSD      O  604   2.658   0.188  -0.096
   43ALA      N  605   2.840   0.106  -0.200
   43ALA     HN  606   2.875   0.055  -0.279
   43ALA     CA  607   2.936   0.143  -0.099
   43ALA     HA  608   2.900   0.101  -0.007
   43ALA     CB  609   3.074   0.082  -0.131
   43ALA    HB1  610   3.113   0.125  -0.225
   43ALA    HB2  611   3.065  -0.028  -0.142
   43ALA    HB3  612   3.146   0.103  -0.048
   43ALA      C  613   2.950   0.293  -0.077
   43ALA      O  614   2.931   0.375  -0.168
   44THR      N  615   2.987   0.335   0.043
   44THR     HN  616   3.004   0.271   0.119
   44THR     CA  617   2.998   0.477   0.079
   44THR     HA  618   2.908   0.526   0.045
   44THR     CB  619   3.010   0.498   0.229
   44THR     HB  620   3.037   0.602   0.254
   44THR    OG1  621   3.105   0.407   0.285
   44THR    HG1  622   3.099   0.415   0.380
   44THR    CG2  623   2.873   0.466   0.292
   44THR   HG21  624   2.840   0.363   0.268
   44THR   HG22  625   2.797   0.537   0.252
   44THR   HG23  626   2.877   0.476   0.402
   44THR      C  627   3.114   0.548   0.011
   44THR      O  628   3.115   0.671  -0.002
   45ASN      N  629   3.215   0.472  -0.035
   45ASN     HN  630   3.209   0.373  -0.023
   45ASN     CA  631   3.338   0.525  -0.090
   45ASN     HA  632   3.341   0.632  -0.078
   45ASN     CB  633   3.457   0.463  -0.011
   45ASN    HB1  634   3.448   0.498   0.094
   45ASN    HB2  635   3.553   0.501  -0.051
   45ASN     CG  636   3.460   0.310  -0.012
   45ASN    OD1  637   3.392   0.241  -0.089
   45ASN    ND2  638   3.539   0.254   0.082
   45ASN   HD21  639   3.530   0.154   0.093
   45ASN   HD22  640   3.573   0.310   0.157
   45ASN      C  641   3.352   0.498  -0.240
   45ASN      O  642   3.450   0.537  -0.304
   46SER      N  643   3.254   0.432  -0.303
   46SER     HN  644   3.169   0.407  -0.257
   46SER     CA  645   3.270   0.387  -0.440
   46SER     HA  646   3.310   0.469  -0.498
   46SER     CB  647   3.364   0.264  -0.458
   46SER    HB1  648   3.466   0.292  -0.424
   46SER    HB2  649   3.372   0.235  -0.565
   46SER     OG  650   3.319   0.152  -0.382
   46SER    HG1  651   3.342   0.173  -0.289
   46SER      C  652   3.134   0.358  -0.497
   46SER      O  653   3.033   0.361  -0.428
   47SER      N  654   3.126   0.330  -0.627
   47SER     HN  655   3.205   0.325  -0.687
   47SER     CA  656   3.001   0.303  -0.696
   47SER     HA  657   2.918   0.348  -0.644
   47SER     CB  658   3.010   0.361  -0.839
   47SER    HB1  659   3.018   0.471  -0.830
   47SER    HB2  660   2.918   0.339  -0.899
   47SER     OG  661   3.126   0.312  -0.907
   47SER    HG1  662   3.102   0.225  -0.942
   47SER      C  663   2.976   0.154  -0.703
   47SER      O  664   2.898   0.106  -0.785
   48THR      N  665   3.045   0.076  -0.617
   48THR     HN  666   3.099   0.121  -0.546
   48THR     CA  667   3.034  -0.069  -0.610
   48THR     HA  668   3.033  -0.108  -0.711
   48THR     CB  669   3.148  -0.135  -0.532
   48THR     HB  670   3.142  -0.109  -0.424
   48THR    OG1  671   3.275  -0.090  -0.579
   48THR    HG1  672   3.279   0.004  -0.560
   48THR    CG2  673   3.145  -0.288  -0.549
   48THR   HG21  674   3.148  -0.315  -0.656
   48THR   HG22  675   3.054  -0.332  -0.503
   48THR   HG23  676   3.234  -0.333  -0.499
   48THR      C  677   2.906  -0.105  -0.541
   48THR      O  678   2.884  -0.066  -0.426
   49ASN      N  679   2.816  -0.178  -0.609
   49ASN     HN  680   2.834  -0.203  -0.704
   49ASN     CA  681   2.688  -0.219  -0.553
   49ASN     HA  682   2.636  -0.129  -0.524
   49ASN     CB  683   2.599  -0.297  -0.653
   49ASN    HB1  684   2.511  -0.340  -0.600
   49ASN    HB2  685   2.656  -0.382  -0.697
   49ASN     CG  686   2.547  -0.209  -0.767
   49ASN    OD1  687   2.612  -0.116  -0.815
   49ASN    ND2  688   2.422  -0.236  -0.811
   49ASN   HD21  689   2.371  -0.313  -0.771
   49ASN   HD22  690   2.384  -0.183  -0.886
   49ASN      C  691   2.703  -0.304  -0.426
   49ASN      O  692   2.790  -0.389  -0.413
   50CYS      N  693   2.612  -0.281  -0.328
   50CYS     HN  694   2.546  -0.207  -0.337
   50CYS     CA  695   2.604  -0.368  -0.212
   50CYS     HA  696   2.696  -0.423  -0.197
   50CYS     CB  697   2.571  -0.287  -0.083
   50CYS    HB1  698   2.551  -0.358   0.000
   50CYS    HB2  699   2.479  -0.228  -0.100
   50CYS     SG  700   2.707  -0.178  -0.035
   50CYS      C  701   2.494  -0.469  -0.231
   50CYS      O  702   2.489  -0.572  -0.164
   51TYR      N  703   2.405  -0.443  -0.329
   51TYR     HN  704   2.413  -0.361  -0.384
   51TYR     CA  705   2.299  -0.531  -0.367
   51TYR     HA  706   2.326  -0.634  -0.348
   51TYR     CB  707   2.169  -0.493  -0.291
   51TYR    HB1  708   2.141  -0.388  -0.313
   51TYR    HB2  709   2.188  -0.501  -0.182
   51TYR     CG  710   2.053  -0.583  -0.325
   51TYR    CD1  711   2.028  -0.699  -0.249
   51TYR    HD1  712   2.096  -0.726  -0.170
   51TYR    CE1  713   1.916  -0.778  -0.275
   51TYR    HE1  714   1.898  -0.866  -0.215
   51TYR     CZ  715   1.826  -0.742  -0.375
   51TYR     OH  716   1.707  -0.816  -0.394
   51TYR     HH  717   1.654  -0.774  -0.463
   51TYR    CD2  718   1.963  -0.550  -0.428
   51TYR    HD2  719   1.983  -0.463  -0.489
   51TYR    CE2  720   1.850  -0.628  -0.453
   51TYR    HE2  721   1.781  -0.603  -0.532
   51TYR      C  722   2.286  -0.515  -0.517
   51TYR      O  723   2.274  -0.402  -0.567
   52ASP      N  724   2.289  -0.624  -0.594
   52ASP     HN  725   2.297  -0.716  -0.554
   52ASP     CA  726   2.274  -0.619  -0.738
   52ASP     HA  727   2.208  -0.536  -0.762
   52ASP     CB  728   2.410  -0.605  -0.812
   52ASP    HB1  729   2.462  -0.703  -0.818
   52ASP    HB2  730   2.476  -0.538  -0.753
   52ASP     CG  731   2.399  -0.545  -0.951
   52ASP    OD1  732   2.283  -0.513  -0.995
   52ASP    OD2  733   2.500  -0.526  -1.018
   52ASP      C  734   2.200  -0.747  -0.775
   52ASP      O  735   2.226  -0.855  -0.722
   53GLY      N  736   2.102  -0.739  -0.867
   53GLY     HN  737   2.092  -0.654  -0.919
   53GLY     CA  738   2.007  -0.848  -0.888
   53GLY    HA1  739   2.062  -0.938  -0.911
   53GLY    HA2  740   1.941  -0.819  -0.969
   53GLY      C  741   1.921  -0.877  -0.768
   53GLY      O  742   1.852  -0.787  -0.717
   54ASN      N  743   1.920  -1.003  -0.720
   54ASN     HN  744   1.971  -1.077  -0.764
   54ASN     CA  745   1.845  -1.046  -0.603
   54ASN     HA  746   1.794  -0.961  -0.562
   54ASN     CB  747   1.736  -1.151  -0.638
   54ASN    HB1  748   1.657  -1.099  -0.696
   54ASN    HB2  749   1.690  -1.190  -0.545
   54ASN     CG  750   1.783  -1.270  -0.720
   54ASN    OD1  751   1.903  -1.287  -0.751
   54ASN    ND2  752   1.688  -1.354  -0.764
   54ASN   HD21  753   1.591  -1.338  -0.742
   54ASN   HD22  754   1.715  -1.440  -0.805
   54ASN      C  755   1.938  -1.092  -0.491
   54ASN      O  756   1.898  -1.164  -0.400
   55THR      N  757   2.065  -1.050  -0.495
   55THR     HN  758   2.096  -0.987  -0.567
   55THR     CA  759   2.167  -1.095  -0.402
   55THR     HA  760   2.119  -1.139  -0.316
   55THR     CB  761   2.264  -1.199  -0.460
   55THR     HB  762   2.356  -1.210  -0.398
   55THR    OG1  763   2.299  -1.168  -0.594
   55THR    HG1  764   2.338  -1.079  -0.594
   55THR    CG2  765   2.192  -1.335  -0.460
   55THR   HG21  766   2.104  -1.334  -0.527
   55THR   HG22  767   2.157  -1.361  -0.358
   55THR   HG23  768   2.260  -1.416  -0.495
   55THR      C  769   2.247  -0.980  -0.348
   55THR      O  770   2.267  -0.877  -0.412
   56TRP      N  771   2.298  -0.996  -0.225
   56TRP     HN  772   2.282  -1.079  -0.174
   56TRP     CA  773   2.385  -0.899  -0.162
   56TRP     HA  774   2.362  -0.800  -0.199
   56TRP     CB  775   2.372  -0.900  -0.007
   56TRP    HB1  776   2.447  -0.832   0.038
   56TRP    HB2  777   2.393  -1.002   0.031
   56TRP     CG  778   2.237  -0.857   0.043
   56TRP    CD1  779   2.128  -0.936   0.067
   56TRP    HD1  780   2.122  -1.042   0.047
   56TRP    NE1  781   2.026  -0.859   0.120
   56TRP    HE1  782   1.936  -0.888   0.142
   56TRP    CE2  783   2.070  -0.730   0.132
   56TRP    CD2  784   2.202  -0.724   0.084
   56TRP    CE3  785   2.271  -0.603   0.086
   56TRP    HE3  786   2.373  -0.595   0.052
   56TRP    CZ3  787   2.205  -0.489   0.134
   56TRP    HZ3  788   2.257  -0.394   0.137
   56TRP    CZ2  789   2.006  -0.618   0.184
   56TRP    HZ2  790   1.906  -0.625   0.222
   56TRP    CH2  791   2.076  -0.497   0.184
   56TRP    HH2  792   2.029  -0.408   0.224
   56TRP      C  793   2.530  -0.927  -0.196
   56TRP      O  794   2.570  -1.039  -0.225
   57SER      N  795   2.614  -0.822  -0.189
   57SER     HN  796   2.577  -0.731  -0.170
   57SER     CA  797   2.759  -0.836  -0.192
   57SER     HA  798   2.785  -0.901  -0.273
   57SER     CB  799   2.829  -0.699  -0.213
   57SER    HB1  800   2.798  -0.630  -0.131
   57SER    HB2  801   2.793  -0.655  -0.309
   57SER     OG  802   2.971  -0.711  -0.215
   57SER    HG1  803   2.993  -0.761  -0.295
   57SER      C  804   2.811  -0.899  -0.064
   57SER      O  805   2.783  -0.852   0.046
   58SER      N  806   2.889  -1.007  -0.073
   58SER     HN  807   2.920  -1.045  -0.160
   58SER     CA  808   2.932  -1.080   0.045
   58SER     HA  809   2.850  -1.084   0.116
   58SER     CB  810   2.969  -1.227   0.010
   58SER    HB1  811   2.877  -1.277  -0.026
   58SER    HB2  812   3.003  -1.281   0.102
   58SER     OG  813   3.069  -1.236  -0.092
   58SER    HG1  814   3.093  -1.329  -0.093
   58SER      C  815   3.048  -1.015   0.118
   58SER      O  816   3.070  -1.036   0.237
   59THR      N  817   3.124  -0.928   0.048
   59THR     HN  818   3.107  -0.912  -0.049
   59THR     CA  819   3.240  -0.861   0.105
   59THR     HA  820   3.281  -0.920   0.186
   59THR     CB  821   3.350  -0.839   0.001
   59THR     HB  822   3.431  -0.775   0.041
   59THR    OG1  823   3.295  -0.782  -0.118
   59THR    HG1  824   3.366  -0.741  -0.168
   59THR    CG2  825   3.411  -0.975  -0.037
   59THR   HG21  826   3.333  -1.042  -0.082
   59THR   HG22  827   3.451  -1.025   0.054
   59THR   HG23  828   3.493  -0.962  -0.110
   59THR      C  829   3.205  -0.725   0.163
   59THR      O  830   3.271  -0.676   0.254
   60LEU      N  831   3.098  -0.660   0.112
   60LEU     HN  832   3.053  -0.695   0.030
   60LEU     CA  833   3.050  -0.535   0.168
   60LEU     HA  834   3.130  -0.484   0.219
   60LEU     CB  835   2.992  -0.442   0.058
   60LEU    HB1  836   2.942  -0.353   0.104
   60LEU    HB2  837   2.915  -0.498   0.001
   60LEU     CG  838   3.098  -0.388  -0.041
   60LEU     HG  839   3.159  -0.475  -0.077
   60LEU    CD1  840   3.030  -0.326  -0.164
   60LEU   HD11  841   2.968  -0.238  -0.134
   60LEU   HD12  842   2.963  -0.400  -0.213
   60LEU   HD13  843   3.105  -0.292  -0.238
   60LEU    CD2  844   3.191  -0.286   0.026
   60LEU   HD21  845   3.244  -0.331   0.113
   60LEU   HD22  846   3.132  -0.199   0.063
   60LEU   HD23  847   3.267  -0.250  -0.045
   60LEU      C  848   2.942  -0.558   0.271
   60LEU      O  849   2.922  -0.476   0.360
   61CYS      N  850   2.874  -0.675   0.264
   61CYS     HN  851   2.893  -0.741   0.192
   61CYS     CA  852   2.765  -0.710   0.353
   61CYS     HA  853   2.767  -0.647   0.440
   61CYS     CB  854   2.628  -0.690   0.283
   61CYS    HB1  855   2.546  -0.724   0.350
   61CYS    HB2  856   2.621  -0.753   0.191
   61CYS     SG  857   2.603  -0.516   0.238
   61CYS      C  858   2.780  -0.853   0.402
   61CYS      O  859   2.703  -0.942   0.361
   62PRO      N  860   2.875  -0.885   0.489
   62PRO     CD  861   2.985  -0.797   0.531
   62PRO    HD1  862   2.947  -0.698   0.565
   62PRO    HD2  863   3.055  -0.784   0.445
   62PRO     CA  864   2.884  -1.016   0.552
   62PRO     HA  865   2.868  -1.093   0.477
   62PRO     CB  866   3.026  -1.018   0.610
   62PRO    HB1  867   3.096  -1.052   0.529
   62PRO    HB2  868   3.038  -1.086   0.697
   62PRO     CG  869   3.056  -0.872   0.644
   62PRO    HG1  870   3.011  -0.846   0.742
   62PRO    HG2  871   3.165  -0.851   0.647
   62PRO      C  872   2.777  -1.035   0.660
   62PRO      O  873   2.736  -1.147   0.686
   63ASP      N  874   2.740  -0.926   0.730
   63ASP     HN  875   2.781  -0.838   0.711
   63ASP     CA  876   2.642  -0.925   0.836
   63ASP     HA  877   2.570  -1.005   0.818
   63ASP     CB  878   2.708  -0.944   0.976
   63ASP    HB1  879   2.753  -1.045   0.980
   63ASP    HB2  880   2.630  -0.941   1.055
   63ASP     CG  881   2.816  -0.842   1.007
   63ASP    OD1  882   2.935  -0.876   1.005
   63ASP    OD2  883   2.782  -0.720   1.031
   63ASP      C  884   2.563  -0.796   0.828
   63ASP      O  885   2.601  -0.701   0.758
   64ASN      N  886   2.449  -0.792   0.898
   64ASN     HN  887   2.422  -0.871   0.955
   64ASN     CA  888   2.355  -0.681   0.896
   64ASN     HA  889   2.323  -0.668   0.793
   64ASN     CB  890   2.232  -0.714   0.984
   64ASN    HB1  891   2.162  -0.628   0.988
   64ASN    HB2  892   2.265  -0.738   1.087
   64ASN     CG  893   2.153  -0.831   0.927
   64ASN    OD1  894   2.163  -0.867   0.810
   64ASN    ND2  895   2.068  -0.892   1.013
   64ASN   HD21  896   2.017  -0.970   0.979
   64ASN   HD22  897   2.076  -0.874   1.111
   64ASN      C  898   2.412  -0.548   0.941
   64ASN      O  899   2.389  -0.444   0.876
   65GLU      N  900   2.489  -0.544   1.051
   65GLU     HN  901   2.510  -0.629   1.102
   65GLU     CA  902   2.555  -0.424   1.097
   65GLU     HA  903   2.480  -0.346   1.103
   65GLU     CB  904   2.618  -0.439   1.238
   65GLU    HB1  905   2.690  -0.356   1.251
   65GLU    HB2  906   2.678  -0.533   1.245
   65GLU     CG  907   2.519  -0.429   1.356
   65GLU    HG1  908   2.479  -0.530   1.380
   65GLU    HG2  909   2.433  -0.364   1.329
   65GLU     CD  910   2.586  -0.370   1.480
   65GLU    OE1  911   2.639  -0.252   1.461
   65GLU    OE2  912   2.595  -0.430   1.585
   65GLU      C  913   2.662  -0.373   1.004
   65GLU      O  914   2.668  -0.252   0.974
   66THR      N  915   2.751  -0.460   0.956
   66THR     HN  916   2.746  -0.558   0.984
   66THR     CA  917   2.862  -0.424   0.868
   66THR     HA  918   2.915  -0.343   0.916
   66THR     CB  919   2.961  -0.538   0.847
   66THR     HB  920   2.908  -0.627   0.807
   66THR    OG1  921   3.019  -0.571   0.972
   66THR    HG1  922   2.958  -0.640   1.008
   66THR    CG2  923   3.075  -0.498   0.752
   66THR   HG21  924   3.124  -0.404   0.786
   66THR   HG22  925   3.038  -0.483   0.649
   66THR   HG23  926   3.151  -0.579   0.749
   66THR      C  927   2.814  -0.367   0.737
   66THR      O  928   2.866  -0.265   0.689
   67CYS      N  929   2.710  -0.427   0.679
   67CYS     HN  930   2.670  -0.509   0.722
   67CYS     CA  931   2.645  -0.380   0.558
   67CYS     HA  932   2.718  -0.382   0.478
   67CYS     CB  933   2.529  -0.477   0.527
   67CYS    HB1  934   2.452  -0.468   0.606
   67CYS    HB2  935   2.568  -0.581   0.535
   67CYS     SG  936   2.455  -0.458   0.362
   67CYS      C  937   2.590  -0.239   0.568
   67CYS      O  938   2.612  -0.155   0.481
   68ALA      N  939   2.520  -0.206   0.678
   68ALA     HN  940   2.504  -0.274   0.749
   68ALA     CA  941   2.465  -0.073   0.700
   68ALA     HA  942   2.401  -0.049   0.617
   68ALA     CB  943   2.383  -0.074   0.830
   68ALA    HB1  944   2.445  -0.100   0.918
   68ALA    HB2  945   2.303  -0.150   0.820
   68ALA    HB3  946   2.335   0.024   0.847
   68ALA      C  947   2.570   0.037   0.710
   68ALA      O  948   2.552   0.148   0.657
   69LYS      N  949   2.681   0.008   0.779
   69LYS     HN  950   2.689  -0.083   0.820
   69LYS     CA  951   2.797   0.095   0.791
   69LYS     HA  952   2.761   0.191   0.826
   69LYS     CB  953   2.899   0.039   0.894
   69LYS    HB1  954   2.988   0.106   0.897
   69LYS    HB2  955   2.933  -0.061   0.857
   69LYS     CG  956   2.841   0.024   1.036
   69LYS    HG1  957   2.749  -0.038   1.029
   69LYS    HG2  958   2.809   0.124   1.074
   69LYS     CD  959   2.938  -0.042   1.136
   69LYS    HD1  960   2.998   0.034   1.189
   69LYS    HD2  961   3.010  -0.102   1.075
   69LYS     CE  962   2.874  -0.139   1.237
   69LYS    HE1  963   2.951  -0.183   1.304
   69LYS    HE2  964   2.827  -0.222   1.180
   69LYS     NZ  965   2.769  -0.076   1.322
   69LYS    HZ1  966   2.693  -0.037   1.263
   69LYS    HZ2  967   2.805  -0.003   1.386
   69LYS    HZ3  968   2.723  -0.150   1.384
   69LYS      C  969   2.868   0.122   0.659
   69LYS      O  970   2.914   0.234   0.632
   70ASN      N  971   2.880   0.019   0.573
   70ASN     HN  972   2.842  -0.071   0.598
   70ASN     CA  973   2.956   0.024   0.450
   70ASN     HA  974   3.041   0.089   0.462
   70ASN     CB  975   3.002  -0.119   0.410
   70ASN    HB1  976   3.044  -0.119   0.307
   70ASN    HB2  977   2.916  -0.189   0.414
   70ASN     CG  978   3.112  -0.173   0.502
   70ASN    OD1  979   3.163  -0.109   0.595
   70ASN    ND2  980   3.153  -0.298   0.472
   70ASN   HD21  981   3.099  -0.353   0.410
   70ASN   HD22  982   3.232  -0.334   0.523
   70ASN      C  983   2.876   0.077   0.332
   70ASN      O  984   2.934   0.109   0.228
   71CYS      N  985   2.742   0.086   0.343
   71CYS     HN  986   2.697   0.062   0.428
   71CYS     CA  987   2.656   0.108   0.228
   71CYS     HA  988   2.717   0.134   0.142
   71CYS     CB  989   2.575  -0.020   0.190
   71CYS    HB1  990   2.516  -0.002   0.099
   71CYS    HB2  991   2.505  -0.043   0.273
   71CYS     SG  992   2.684  -0.164   0.165
   71CYS      C  993   2.561   0.223   0.248
   71CYS      O  994   2.530   0.270   0.359
   72CYS      N  995   2.511   0.277   0.137
   72CYS     HN  996   2.537   0.242   0.046
   72CYS     CA  997   2.427   0.393   0.137
   72CYS     HA  998   2.374   0.400   0.230
   72CYS     CB  999   2.509   0.522   0.114
   72CYS    HB1 1000   2.574   0.537   0.203
   72CYS    HB2 1001   2.441   0.610   0.108
   72CYS     SG 1002   2.617   0.518  -0.032
   72CYS      C 1003   2.321   0.380   0.030
   72CYS      O 1004   2.333   0.301  -0.063
   73LEU      N 1005   2.213   0.458   0.047
   73LEU     HN 1006   2.206   0.518   0.126
   73LEU     CA 1007   2.108   0.473  -0.051
   73LEU     HA 1008   2.110   0.390  -0.121
   73LEU     CB 1009   1.969   0.484   0.016
   73LEU    HB1 1010   1.891   0.498  -0.062
   73LEU    HB2 1011   1.968   0.574   0.082
   73LEU     CG 1012   1.930   0.362   0.102
   73LEU     HG 1013   2.013   0.340   0.174
   73LEU    CD1 1014   1.805   0.394   0.185
   73LEU   HD11 1015   1.719   0.417   0.119
   73LEU   HD12 1016   1.822   0.482   0.251
   73LEU   HD13 1017   1.777   0.307   0.248
   73LEU    CD2 1018   1.907   0.236   0.016
   73LEU   HD21 1019   1.999   0.209  -0.039
   73LEU   HD22 1020   1.826   0.253  -0.057
   73LEU   HD23 1021   1.878   0.150   0.080
   73LEU      C 1022   2.137   0.600  -0.128
   73LEU      O 1023   2.188   0.697  -0.072
   74ASP      N 1024   2.103   0.602  -0.258
   74ASP     HN 1025   2.062   0.523  -0.302
   74ASP     CA 1026   2.131   0.716  -0.343
   74ASP     HA 1027   2.161   0.800  -0.282
   74ASP     CB 1028   2.248   0.684  -0.442
   74ASP    HB1 1029   2.212   0.631  -0.532
   74ASP    HB2 1030   2.320   0.617  -0.390
   74ASP     CG 1031   2.325   0.810  -0.483
   74ASP    OD1 1032   2.259   0.899  -0.546
   74ASP    OD2 1033   2.445   0.826  -0.456
   74ASP      C 1034   2.000   0.757  -0.410
   74ASP      O 1035   1.897   0.689  -0.401
   75GLY      N 1036   2.001   0.877  -0.471
   75GLY     HN 1037   2.092   0.919  -0.481
   75GLY     CA 1038   1.890   0.943  -0.537
   75GLY    HA1 1039   1.930   1.031  -0.585
   75GLY    HA2 1040   1.818   0.967  -0.461
   75GLY      C 1041   1.818   0.865  -0.644
   75GLY      O 1042   1.864   0.765  -0.696
   76ALA      N 1043   1.698   0.915  -0.679
   76ALA     HN 1044   1.663   0.997  -0.634
   76ALA     CA 1045   1.609   0.850  -0.771
   76ALA     HA 1046   1.658   0.765  -0.817
   76ALA     CB 1047   1.485   0.800  -0.693
   76ALA    HB1 1048   1.439   0.885  -0.637
   76ALA    HB2 1049   1.515   0.723  -0.619
   76ALA    HB3 1050   1.409   0.756  -0.760
   76ALA      C 1051   1.567   0.944  -0.883
   76ALA      O 1052   1.528   1.059  -0.863
   77ALA      N 1053   1.573   0.897  -1.009
   77ALA     HN 1054   1.607   0.805  -1.027
   77ALA     CA 1055   1.521   0.971  -1.121
   77ALA     HA 1056   1.521   1.077  -1.099
   77ALA     CB 1057   1.603   0.949  -1.250
   77ALA    HB1 1058   1.612   0.841  -1.273
   77ALA    HB2 1059   1.704   0.992  -1.236
   77ALA    HB3 1060   1.555   1.001  -1.335
   77ALA      C 1061   1.377   0.928  -1.143
   77ALA      O 1062   1.347   0.835  -1.218
   78TYR      N 1063   1.283   0.997  -1.076
   78TYR     HN 1064   1.312   1.069  -1.014
   78TYR     CA 1065   1.145   0.956  -1.066
   78TYR     HA 1066   1.141   0.860  -1.015
   78TYR     CB 1067   1.064   1.060  -0.985
   78TYR    HB1 1068   0.954   1.046  -0.996
   78TYR    HB2 1069   1.088   1.163  -1.019
   78TYR     CG 1070   1.097   1.048  -0.839
   78TYR    CD1 1071   1.212   1.109  -0.785
   78TYR    HD1 1072   1.280   1.165  -0.847
   78TYR    CE1 1073   1.243   1.094  -0.649
   78TYR    HE1 1074   1.333   1.138  -0.609
   78TYR     CZ 1075   1.157   1.024  -0.565
   78TYR     OH 1076   1.188   1.007  -0.428
   78TYR     HH 1077   1.270   1.057  -0.407
   78TYR    CD2 1078   1.010   0.979  -0.753
   78TYR    HD2 1079   0.921   0.933  -0.792
   78TYR    CE2 1080   1.039   0.968  -0.617
   78TYR    HE2 1081   0.971   0.915  -0.551
   78TYR      C 1082   1.075   0.935  -1.199
   78TYR      O 1083   1.010   0.832  -1.221
   79ALA      N 1084   1.089   1.029  -1.293
   79ALA     HN 1085   1.146   1.109  -1.275
   79ALA     CA 1086   1.014   1.023  -1.416
   79ALA     HA 1087   0.913   0.992  -1.393
   79ALA     CB 1088   1.010   1.164  -1.478
   79ALA    HB1 1089   1.110   1.195  -1.516
   79ALA    HB2 1090   0.978   1.238  -1.403
   79ALA    HB3 1091   0.937   1.166  -1.561
   79ALA      C 1092   1.069   0.924  -1.516
   79ALA      O 1093   0.995   0.849  -1.580
   80SER      N 1094   1.202   0.920  -1.534
   80SER     HN 1095   1.263   0.975  -1.477
   80SER     CA 1096   1.263   0.843  -1.641
   80SER     HA 1097   1.194   0.837  -1.725
   80SER     CB 1098   1.394   0.908  -1.692
   80SER    HB1 1099   1.367   1.003  -1.741
   80SER    HB2 1100   1.444   0.844  -1.768
   80SER     OG 1101   1.483   0.937  -1.584
   80SER    HG1 1102   1.506   0.853  -1.542
   80SER      C 1103   1.295   0.700  -1.604
   80SER      O 1104   1.314   0.617  -1.692
   81THR      N 1105   1.302   0.669  -1.474
   81THR     HN 1106   1.293   0.738  -1.403
   81THR     CA 1107   1.339   0.535  -1.430
   81THR     HA 1108   1.367   0.472  -1.513
   81THR     CB 1109   1.453   0.536  -1.330
   81THR     HB 1110   1.428   0.600  -1.242
   81THR    OG1 1111   1.569   0.591  -1.393
   81THR    HG1 1112   1.598   0.521  -1.451
   81THR    CG2 1113   1.490   0.396  -1.280
   81THR   HG21 1114   1.517   0.329  -1.365
   81THR   HG22 1115   1.407   0.349  -1.224
   81THR   HG23 1116   1.576   0.401  -1.210
   81THR      C 1117   1.221   0.468  -1.365
   81THR      O 1118   1.196   0.351  -1.388
   82TYR      N 1119   1.146   0.543  -1.282
   82TYR     HN 1120   1.166   0.638  -1.263
   82TYR     CA 1121   1.043   0.482  -1.199
   82TYR     HA 1122   1.054   0.375  -1.199
   82TYR     CB 1123   1.057   0.532  -1.052
   82TYR    HB1 1124   0.980   0.484  -0.988
   82TYR    HB2 1125   1.045   0.642  -1.045
   82TYR     CG 1126   1.193   0.492  -1.000
   82TYR    CD1 1127   1.219   0.358  -0.970
   82TYR    HD1 1128   1.139   0.286  -0.981
   82TYR    CE1 1129   1.345   0.316  -0.926
   82TYR    HE1 1130   1.364   0.212  -0.905
   82TYR     CZ 1131   1.448   0.410  -0.911
   82TYR     OH 1132   1.575   0.369  -0.867
   82TYR     HH 1133   1.566   0.276  -0.840
   82TYR    CD2 1134   1.297   0.586  -0.983
   82TYR    HD2 1135   1.278   0.690  -1.005
   82TYR    CE2 1136   1.424   0.545  -0.940
   82TYR    HE2 1137   1.503   0.616  -0.928
   82TYR      C 1138   0.904   0.510  -1.250
   82TYR      O 1139   0.806   0.454  -1.198
   83GLY      N 1140   0.888   0.594  -1.354
   83GLY     HN 1141   0.968   0.638  -1.393
   83GLY     CA 1142   0.758   0.624  -1.415
   83GLY    HA1 1143   0.709   0.530  -1.439
   83GLY    HA2 1144   0.776   0.685  -1.502
   83GLY      C 1145   0.666   0.701  -1.325
   83GLY      O 1146   0.543   0.691  -1.334
   84VAL      N 1147   0.723   0.783  -1.236
   84VAL     HN 1148   0.823   0.788  -1.232
   84VAL     CA 1149   0.650   0.859  -1.138
   84VAL     HA 1150   0.547   0.827  -1.134
   84VAL     CB 1151   0.710   0.845  -0.998
   84VAL     HB 1152   0.819   0.869  -1.002
   84VAL    CG1 1153   0.641   0.938  -0.896
   84VAL   HG11 1154   0.531   0.920  -0.897
   84VAL   HG12 1155   0.660   1.045  -0.919
   84VAL   HG13 1156   0.678   0.918  -0.794
   84VAL    CG2 1157   0.695   0.698  -0.953
   84VAL   HG21 1158   0.748   0.629  -1.022
   84VAL   HG22 1159   0.588   0.668  -0.951
   84VAL   HG23 1160   0.737   0.683  -0.852
   84VAL      C 1161   0.652   1.004  -1.181
   84VAL      O 1162   0.756   1.063  -1.211
   85THR      N 1163   0.533   1.066  -1.187
   85THR     HN 1164   0.449   1.018  -1.160
   85THR     CA 1165   0.521   1.204  -1.230
   85THR     HA 1166   0.611   1.257  -1.206
   85THR     CB 1167   0.489   1.224  -1.379
   85THR     HB 1168   0.458   1.329  -1.398
   85THR    OG1 1169   0.386   1.139  -1.425
   85THR    HG1 1170   0.409   1.051  -1.392
   85THR    CG2 1171   0.614   1.197  -1.465
   85THR   HG21 1172   0.646   1.091  -1.456
   85THR   HG22 1173   0.698   1.262  -1.434
   85THR   HG23 1174   0.591   1.216  -1.572
   85THR      C 1175   0.411   1.269  -1.150
   85THR      O 1176   0.318   1.204  -1.103
   86THR      N 1177   0.421   1.401  -1.131
   86THR     HN 1178   0.496   1.454  -1.168
   86THR     CA 1179   0.321   1.478  -1.059
   86THR     HA 1180   0.230   1.420  -1.052
   86THR     CB 1181   0.359   1.525  -0.919
   86THR     HB 1182   0.279   1.588  -0.874
   86THR    OG1 1183   0.481   1.600  -0.915
   86THR    HG1 1184   0.485   1.629  -0.822
   86THR    CG2 1185   0.375   1.402  -0.827
   86THR   HG21 1186   0.453   1.332  -0.865
   86THR   HG22 1187   0.279   1.347  -0.822
   86THR   HG23 1188   0.402   1.433  -0.724
   86THR      C 1189   0.288   1.600  -1.142
   86THR      O 1190   0.360   1.638  -1.234
   87SER      N 1191   0.174   1.663  -1.109
   87SER     HN 1192   0.117   1.625  -1.036
   87SER     CA 1193   0.130   1.785  -1.175
   87SER     HA 1194   0.211   1.855  -1.177
   87SER     CB 1195   0.074   1.762  -1.318
   87SER    HB1 1196  -0.013   1.693  -1.316
   87SER    HB2 1197   0.153   1.714  -1.379
   87SER     OG 1198   0.037   1.885  -1.383
   87SER    HG1 1199  -0.032   1.927  -1.330
   87SER      C 1200   0.020   1.842  -1.089
   87SER      O 1201  -0.095   1.795  -1.092
   88GLY      N 1202   0.049   1.945  -1.009
   88GLY     HN 1203   0.142   1.985  -1.012
   88GLY     CA 1204  -0.045   2.001  -0.913
   88GLY    HA1 1205  -0.135   2.028  -0.967
   88GLY    HA2 1206   0.002   2.087  -0.867
   88GLY      C 1207  -0.083   1.907  -0.801
   88GLY      O 1208  -0.000   1.865  -0.721
   89ASN      N 1209  -0.212   1.870  -0.795
   89ASN     HN 1210  -0.278   1.897  -0.865
   89ASN     CA 1211  -0.267   1.782  -0.693
   89ASN     HA 1212  -0.199   1.778  -0.609
   89ASN     CB 1213  -0.404   1.836  -0.641
   89ASN    HB1 1214  -0.386   1.935  -0.595
   89ASN    HB2 1215  -0.442   1.767  -0.563
   89ASN     CG 1216  -0.510   1.853  -0.751
   89ASN    OD1 1217  -0.484   1.845  -0.871
   89ASN    ND2 1218  -0.635   1.882  -0.709
   89ASN   HD21 1219  -0.707   1.879  -0.778
   89ASN   HD22 1220  -0.655   1.893  -0.612
   89ASN      C 1221  -0.282   1.640  -0.746
   89ASN      O 1222  -0.355   1.560  -0.691
   90SER      N 1223  -0.214   1.609  -0.859
   90SER     HN 1224  -0.156   1.678  -0.902
   90SER     CA 1225  -0.223   1.481  -0.928
   90SER     HA 1226  -0.293   1.417  -0.876
   90SER     CB 1227  -0.269   1.498  -1.075
   90SER    HB1 1228  -0.194   1.557  -1.132
   90SER    HB2 1229  -0.364   1.557  -1.074
   90SER     OG 1230  -0.296   1.375  -1.142
   90SER    HG1 1231  -0.213   1.325  -1.148
   90SER      C 1232  -0.089   1.410  -0.927
   90SER      O 1233   0.016   1.473  -0.942
   91LEU      N 1234  -0.094   1.277  -0.912
   91LEU     HN 1235  -0.183   1.231  -0.900
   91LEU     CA 1236   0.019   1.186  -0.910
   91LEU     HA 1237   0.108   1.235  -0.946
   91LEU     CB 1238   0.040   1.129  -0.767
   91LEU    HB1 1239  -0.060   1.095  -0.731
   91LEU    HB2 1240   0.072   1.212  -0.701
   91LEU     CG 1241   0.138   1.011  -0.752
   91LEU     HG 1242   0.109   0.929  -0.823
   91LEU    CD1 1243   0.283   1.050  -0.784
   91LEU   HD11 1244   0.320   1.126  -0.711
   91LEU   HD12 1245   0.292   1.091  -0.886
   91LEU   HD13 1246   0.348   0.961  -0.778
   91LEU    CD2 1247   0.129   0.951  -0.611
   91LEU   HD21 1248   0.026   0.915  -0.591
   91LEU   HD22 1249   0.156   1.027  -0.535
   91LEU   HD23 1250   0.198   0.864  -0.601
   91LEU      C 1251  -0.013   1.072  -1.005
   91LEU      O 1252  -0.120   1.011  -0.996
   92SER      N 1253   0.077   1.041  -1.099
   92SER     HN 1254   0.164   1.090  -1.106
   92SER     CA 1255   0.060   0.928  -1.191
   92SER     HA 1256  -0.029   0.872  -1.165
   92SER     CB 1257   0.052   0.969  -1.340
   92SER    HB1 1258   0.046   0.877  -1.404
   92SER    HB2 1259   0.144   1.025  -1.368
   92SER     OG 1260  -0.063   1.050  -1.367
   92SER    HG1 1261  -0.141   0.997  -1.344
   92SER      C 1262   0.178   0.836  -1.172
   92SER      O 1263   0.291   0.880  -1.157
   93ILE      N 1264   0.150   0.703  -1.170
   93ILE     HN 1265   0.057   0.669  -1.182
   93ILE     CA 1266   0.252   0.600  -1.158
   93ILE     HA 1267   0.351   0.643  -1.167
   93ILE     CB 1268   0.243   0.520  -1.027
   93ILE     HB 1269   0.150   0.457  -1.028
   93ILE    CG2 1270   0.365   0.424  -1.018
   93ILE   HG21 1271   0.460   0.482  -1.020
   93ILE   HG22 1272   0.367   0.352  -1.102
   93ILE   HG23 1273   0.362   0.365  -0.924
   93ILE    CG1 1274   0.232   0.612  -0.902
   93ILE   HG11 1275   0.147   0.683  -0.916
   93ILE   HG12 1276   0.325   0.671  -0.892
   93ILE     CD 1277   0.204   0.535  -0.772
   93ILE    HD1 1278   0.290   0.470  -0.744
   93ILE    HD2 1279   0.115   0.470  -0.783
   93ILE    HD3 1280   0.185   0.605  -0.688
   93ILE      C 1281   0.232   0.506  -1.276
   93ILE      O 1282   0.123   0.448  -1.290
   94ASP      N 1283   0.333   0.488  -1.362
   94ASP     HN 1284   0.419   0.539  -1.351
   94ASP     CA 1285   0.328   0.398  -1.475
   94ASP     HA 1286   0.224   0.383  -1.504
   94ASP     CB 1287   0.406   0.449  -1.600
   94ASP    HB1 1288   0.412   0.368  -1.676
   94ASP    HB2 1289   0.508   0.478  -1.570
   94ASP     CG 1290   0.340   0.566  -1.673
   94ASP    OD1 1291   0.232   0.616  -1.630
   94ASP    OD2 1292   0.395   0.602  -1.780
   94ASP      C 1293   0.382   0.260  -1.435
   94ASP      O 1294   0.479   0.248  -1.362
   95PHE      N 1295   0.313   0.152  -1.479
   95PHE     HN 1296   0.234   0.164  -1.540
   95PHE     CA 1297   0.341   0.016  -1.437
   95PHE     HA 1298   0.337   0.015  -1.328
   95PHE     CB 1299   0.229  -0.075  -1.493
   95PHE    HB1 1300   0.231  -0.069  -1.604
   95PHE    HB2 1301   0.130  -0.039  -1.458
   95PHE     CG 1302   0.240  -0.220  -1.452
   95PHE    CD1 1303   0.259  -0.256  -1.318
   95PHE    HD1 1304   0.270  -0.181  -1.242
   95PHE    CE1 1305   0.265  -0.391  -1.281
   95PHE    HE1 1306   0.282  -0.420  -1.178
   95PHE     CZ 1307   0.249  -0.491  -1.378
   95PHE     HZ 1308   0.254  -0.595  -1.350
   95PHE    CD2 1309   0.224  -0.321  -1.548
   95PHE    HD2 1310   0.209  -0.294  -1.652
   95PHE    CE2 1311   0.228  -0.456  -1.512
   95PHE    HE2 1312   0.214  -0.533  -1.586
   95PHE      C 1313   0.479  -0.038  -1.472
   95PHE      O 1314   0.549  -0.093  -1.388
   96VAL      N 1315   0.523  -0.020  -1.599
   96VAL     HN 1316   0.467   0.029  -1.665
   96VAL     CA 1317   0.652  -0.068  -1.643
   96VAL     HA 1318   0.710  -0.100  -1.558
   96VAL     CB 1319   0.645  -0.187  -1.739
   96VAL     HB 1320   0.584  -0.158  -1.828
   96VAL    CG1 1321   0.786  -0.230  -1.786
   96VAL   HG11 1322   0.850  -0.251  -1.698
   96VAL   HG12 1323   0.834  -0.153  -1.849
   96VAL   HG13 1324   0.778  -0.324  -1.845
   96VAL    CG2 1325   0.577  -0.306  -1.668
   96VAL   HG21 1326   0.473  -0.280  -1.639
   96VAL   HG22 1327   0.632  -0.333  -1.576
   96VAL   HG23 1328   0.573  -0.395  -1.734
   96VAL      C 1329   0.726   0.049  -1.702
   96VAL      O 1330   0.673   0.132  -1.779
   97THR      N 1331   0.852   0.066  -1.664
   97THR     HN 1332   0.892   0.000  -1.599
   97THR     CA 1333   0.937   0.169  -1.718
   97THR     HA 1334   0.892   0.211  -1.807
   97THR     CB 1335   0.966   0.282  -1.620
   97THR     HB 1336   1.021   0.242  -1.532
   97THR    OG1 1337   0.846   0.342  -1.573
   97THR    HG1 1338   0.773   0.307  -1.624
   97THR    CG2 1339   1.045   0.398  -1.683
   97THR   HG21 1340   0.989   0.441  -1.769
   97THR   HG22 1341   1.146   0.366  -1.716
   97THR   HG23 1342   1.058   0.478  -1.607
   97THR      C 1343   1.064   0.100  -1.760
   97THR      O 1344   1.114   0.012  -1.694
   98GLN      N 1345   1.116   0.138  -1.880
   98GLN     HN 1346   1.076   0.211  -1.933
   98GLN     CA 1347   1.241   0.087  -1.930
   98GLN     HA 1348   1.284   0.015  -1.861
   98GLN     CB 1349   1.226   0.022  -2.070
   98GLN    HB1 1350   1.327   0.005  -2.115
   98GLN    HB2 1351   1.173   0.094  -2.136
   98GLN     CG 1352   1.148  -0.112  -2.071
   98GLN    HG1 1353   1.118  -0.134  -2.175
   98GLN    HG2 1354   1.057  -0.104  -2.008
   98GLN     CD 1355   1.231  -0.231  -2.020
   98GLN    OE1 1356   1.347  -0.219  -1.978
   98GLN    NE2 1357   1.173  -0.352  -2.026
   98GLN   HE21 1358   1.224  -0.428  -1.986
   98GLN   HE22 1359   1.077  -0.362  -2.052
   98GLN      C 1360   1.336   0.203  -1.939
   98GLN      O 1361   1.301   0.313  -1.983
   99SER      N 1362   1.459   0.183  -1.892
   99SER     HN 1363   1.484   0.092  -1.857
   99SER     CA 1364   1.563   0.284  -1.892
   99SER     HA 1365   1.553   0.345  -1.980
   99SER     CB 1366   1.558   0.375  -1.766
   99SER    HB1 1367   1.463   0.433  -1.769
   99SER    HB2 1368   1.642   0.448  -1.768
   99SER     OG 1369   1.563   0.301  -1.644
   99SER    HG1 1370   1.486   0.242  -1.642
   99SER      C 1371   1.693   0.209  -1.908
   99SER      O 1372   1.708   0.134  -2.003
  100ALA      N 1373   1.789   0.221  -1.814
  100ALA     HN 1374   1.774   0.279  -1.735
  100ALA     CA 1375   1.905   0.134  -1.812
  100ALA     HA 1376   1.945   0.122  -1.912
  100ALA     CB 1377   2.013   0.192  -1.718
  100ALA    HB1 1378   1.975   0.199  -1.614
  100ALA    HB2 1379   2.044   0.293  -1.752
  100ALA    HB3 1380   2.103   0.126  -1.717
  100ALA      C 1381   1.868  -0.006  -1.762
  100ALA      O 1382   1.939  -0.103  -1.783
  101GLN      N 1383   1.752  -0.014  -1.695
  101GLN     HN 1384   1.698   0.068  -1.677
  101GLN     CA 1385   1.693  -0.137  -1.652
  101GLN     HA 1386   1.714  -0.212  -1.727
  101GLN     CB 1387   1.750  -0.188  -1.516
  101GLN    HB1 1388   1.847  -0.236  -1.540
  101GLN    HB2 1389   1.683  -0.266  -1.474
  101GLN     CG 1390   1.779  -0.081  -1.406
  101GLN    HG1 1391   1.868  -0.022  -1.437
  101GLN    HG2 1392   1.803  -0.130  -1.310
  101GLN     CD 1393   1.668   0.021  -1.381
  101GLN    OE1 1394   1.690   0.141  -1.390
  101GLN    NE2 1395   1.546  -0.027  -1.344
  101GLN   HE21 1396   1.473   0.038  -1.331
  101GLN   HE22 1397   1.529  -0.125  -1.338
  101GLN      C 1398   1.542  -0.126  -1.652
  101GLN      O 1399   1.486  -0.014  -1.656
  102LYS      N 1400   1.473  -0.240  -1.654
  102LYS     HN 1401   1.522  -0.327  -1.666
  102LYS     CA 1402   1.332  -0.252  -1.627
  102LYS     HA 1403   1.282  -0.178  -1.687
  102LYS     CB 1404   1.279  -0.391  -1.668
  102LYS    HB1 1405   1.335  -0.469  -1.611
  102LYS    HB2 1406   1.303  -0.405  -1.776
  102LYS     CG 1407   1.128  -0.414  -1.647
  102LYS    HG1 1408   1.070  -0.335  -1.698
  102LYS    HG2 1409   1.105  -0.410  -1.538
  102LYS     CD 1410   1.085  -0.552  -1.699
  102LYS    HD1 1411   1.158  -0.627  -1.661
  102LYS    HD2 1412   1.091  -0.551  -1.810
  102LYS     CE 1413   0.944  -0.593  -1.656
  102LYS    HE1 1414   0.865  -0.532  -1.705
  102LYS    HE2 1415   0.933  -0.583  -1.546
  102LYS     NZ 1416   0.922  -0.735  -1.690
  102LYS    HZ1 1417   0.998  -0.791  -1.646
  102LYS    HZ2 1418   0.914  -0.753  -1.791
  102LYS    HZ3 1419   0.835  -0.770  -1.639
  102LYS      C 1420   1.300  -0.221  -1.481
  102LYS      O 1421   1.368  -0.264  -1.390
  103ASN      N 1422   1.192  -0.143  -1.462
  103ASN     HN 1423   1.143  -0.106  -1.541
  103ASN     CA 1424   1.136  -0.112  -1.334
  103ASN     HA 1425   1.184  -0.168  -1.255
  103ASN     CB 1426   1.146   0.041  -1.308
  103ASN    HB1 1427   1.109   0.096  -1.396
  103ASN    HB2 1428   1.253   0.068  -1.292
  103ASN     CG 1429   1.069   0.083  -1.183
  103ASN    OD1 1430   1.118   0.057  -1.072
  103ASN    ND2 1431   0.952   0.147  -1.199
  103ASN   HD21 1432   0.895   0.164  -1.118
  103ASN   HD22 1433   0.916   0.168  -1.290
  103ASN      C 1434   0.992  -0.157  -1.340
  103ASN      O 1435   0.929  -0.147  -1.446
  104VAL      N 1436   0.938  -0.206  -1.227
  104VAL     HN 1437   0.990  -0.216  -1.143
  104VAL     CA 1438   0.798  -0.239  -1.214
  104VAL     HA 1439   0.744  -0.208  -1.302
  104VAL     CB 1440   0.775  -0.388  -1.194
  104VAL     HB 1441   0.825  -0.424  -1.101
  104VAL    CG1 1442   0.624  -0.418  -1.184
  104VAL   HG11 1443   0.569  -0.379  -1.273
  104VAL   HG12 1444   0.579  -0.374  -1.093
  104VAL   HG13 1445   0.607  -0.528  -1.180
  104VAL    CG2 1446   0.835  -0.462  -1.314
  104VAL   HG21 1447   0.945  -0.449  -1.321
  104VAL   HG22 1448   0.788  -0.428  -1.409
  104VAL   HG23 1449   0.816  -0.571  -1.302
  104VAL      C 1450   0.744  -0.159  -1.097
  104VAL      O 1451   0.794  -0.167  -0.985
  105GLY      N 1452   0.642  -0.075  -1.124
  105GLY     HN 1453   0.608  -0.072  -1.218
  105GLY     CA 1454   0.573   0.009  -1.026
  105GLY    HA1 1455   0.520  -0.058  -0.961
  105GLY    HA2 1456   0.508   0.075  -1.082
  105GLY      C 1457   0.659   0.098  -0.938
  105GLY      O 1458   0.773   0.130  -0.964
  106ALA      N 1459   0.596   0.144  -0.827
  106ALA     HN 1460   0.504   0.116  -0.805
  106ALA     CA 1461   0.663   0.225  -0.729
  106ALA     HA 1462   0.761   0.184  -0.710
  106ALA     CB 1463   0.675   0.373  -0.773
  106ALA    HB1 1464   0.575   0.417  -0.791
  106ALA    HB2 1465   0.733   0.380  -0.867
  106ALA    HB3 1466   0.727   0.434  -0.695
  106ALA      C 1467   0.584   0.218  -0.601
  106ALA      O 1468   0.465   0.185  -0.602
  107ARG      N 1469   0.648   0.250  -0.488
  107ARG     HN 1470   0.746   0.271  -0.488
  107ARG     CA 1471   0.581   0.270  -0.362
  107ARG     HA 1472   0.475   0.279  -0.377
  107ARG     CB 1473   0.610   0.156  -0.262
  107ARG    HB1 1474   0.719   0.145  -0.247
  107ARG    HB2 1475   0.574   0.062  -0.309
  107ARG     CG 1476   0.540   0.173  -0.125
  107ARG    HG1 1477   0.433   0.201  -0.144
  107ARG    HG2 1478   0.586   0.256  -0.068
  107ARG     CD 1479   0.538   0.045  -0.039
  107ARG    HD1 1480   0.483  -0.035  -0.094
  107ARG    HD2 1481   0.485   0.066   0.057
  107ARG     NE 1482   0.678   0.007  -0.007
  107ARG     HE 1483   0.732   0.072   0.049
  107ARG     CZ 1484   0.729  -0.117  -0.007
  107ARG    NH1 1485   0.658  -0.220  -0.060
  107ARG   HH11 1486   0.575  -0.202  -0.107
  107ARG   HH12 1487   0.706  -0.308  -0.064
  107ARG    NH2 1488   0.844  -0.143   0.036
  107ARG   HH21 1489   0.910  -0.067   0.057
  107ARG   HH22 1490   0.880  -0.236   0.025
  107ARG      C 1491   0.633   0.403  -0.311
  107ARG      O 1492   0.751   0.427  -0.302
  108LEU      N 1493   0.537   0.496  -0.286
  108LEU     HN 1494   0.440   0.474  -0.293
  108LEU     CA 1495   0.566   0.635  -0.262
  108LEU     HA 1496   0.673   0.650  -0.253
  108LEU     CB 1497   0.507   0.724  -0.374
  108LEU    HB1 1498   0.523   0.831  -0.351
  108LEU    HB2 1499   0.397   0.705  -0.377
  108LEU     CG 1500   0.562   0.695  -0.515
  108LEU     HG 1501   0.561   0.585  -0.533
  108LEU    CD1 1502   0.471   0.757  -0.622
  108LEU   HD11 1503   0.469   0.868  -0.611
  108LEU   HD12 1504   0.368   0.718  -0.611
  108LEU   HD13 1505   0.507   0.732  -0.723
  108LEU    CD2 1506   0.705   0.747  -0.531
  108LEU   HD21 1507   0.771   0.698  -0.457
  108LEU   HD22 1508   0.710   0.856  -0.516
  108LEU   HD23 1509   0.744   0.723  -0.633
  108LEU      C 1510   0.503   0.677  -0.131
  108LEU      O 1511   0.393   0.633  -0.097
  109TYR      N 1512   0.570   0.765  -0.056
  109TYR     HN 1513   0.661   0.796  -0.085
  109TYR     CA 1514   0.520   0.816   0.070
  109TYR     HA 1515   0.425   0.771   0.094
  109TYR     CB 1516   0.621   0.794   0.186
  109TYR    HB1 1517   0.577   0.822   0.284
  109TYR    HB2 1518   0.712   0.854   0.169
  109TYR     CG 1519   0.660   0.649   0.192
  109TYR    CD1 1520   0.562   0.552   0.214
  109TYR    HD1 1521   0.460   0.584   0.229
  109TYR    CE1 1522   0.594   0.416   0.208
  109TYR    HE1 1523   0.517   0.341   0.222
  109TYR     CZ 1524   0.726   0.376   0.183
  109TYR     OH 1525   0.759   0.240   0.166
  109TYR     HH 1526   0.857   0.230   0.167
  109TYR    CD2 1527   0.793   0.609   0.173
  109TYR    HD2 1528   0.871   0.682   0.159
  109TYR    CE2 1529   0.826   0.472   0.169
  109TYR    HE2 1530   0.928   0.442   0.152
  109TYR      C 1531   0.499   0.965   0.056
  109TYR      O 1532   0.579   1.034  -0.006
  110LEU      N 1533   0.389   1.018   0.113
  110LEU     HN 1534   0.324   0.959   0.161
  110LEU     CA 1535   0.372   1.163   0.120
  110LEU     HA 1536   0.403   1.204   0.025
  110LEU     CB 1537   0.224   1.205   0.143
  110LEU    HB1 1538   0.195   1.174   0.246
  110LEU    HB2 1539   0.161   1.148   0.072
  110LEU     CG 1540   0.195   1.356   0.125
  110LEU     HG 1541   0.268   1.415   0.185
  110LEU    CD1 1542   0.206   1.400  -0.021
  110LEU   HD11 1543   0.132   1.345  -0.083
  110LEU   HD12 1544   0.307   1.379  -0.062
  110LEU   HD13 1545   0.186   1.509  -0.031
  110LEU    CD2 1546   0.056   1.391   0.180
  110LEU   HD21 1547   0.049   1.364   0.287
  110LEU   HD22 1548  -0.023   1.337   0.124
  110LEU   HD23 1549   0.037   1.500   0.170
  110LEU      C 1550   0.461   1.224   0.227
  110LEU      O 1551   0.474   1.176   0.339
  111MET      N 1552   0.524   1.338   0.194
  111MET     HN 1553   0.516   1.375   0.101
  111MET     CA 1554   0.615   1.407   0.281
  111MET     HA 1555   0.632   1.348   0.370
  111MET     CB 1556   0.751   1.432   0.214
  111MET    HB1 1557   0.817   1.480   0.289
  111MET    HB2 1558   0.740   1.501   0.128
  111MET     CG 1559   0.823   1.306   0.165
  111MET    HG1 1560   0.773   1.270   0.072
  111MET    HG2 1561   0.814   1.224   0.240
  111MET     SD 1562   0.999   1.339   0.131
  111MET     CE 1563   1.060   1.299   0.297
  111MET    HE1 1564   1.035   1.194   0.324
  111MET    HE2 1565   1.015   1.366   0.373
  111MET    HE3 1566   1.170   1.309   0.301
  111MET      C 1567   0.561   1.540   0.327
  111MET      O 1568   0.479   1.605   0.259
  112ALA      N 1569   0.604   1.585   0.445
  112ALA     HN 1570   0.669   1.529   0.498
  112ALA     CA 1571   0.569   1.715   0.498
  112ALA     HA 1572   0.481   1.753   0.448
  112ALA     CB 1573   0.542   1.703   0.649
  112ALA    HB1 1574   0.628   1.659   0.703
  112ALA    HB2 1575   0.454   1.638   0.667
  112ALA    HB3 1576   0.519   1.802   0.693
  112ALA      C 1577   0.683   1.814   0.481
  112ALA      O 1578   0.664   1.935   0.493
  113SER      N 1579   0.803   1.763   0.450
  113SER     HN 1580   0.817   1.664   0.440
  113SER     CA 1581   0.921   1.842   0.422
  113SER     HA 1582   0.895   1.918   0.351
  113SER     CB 1583   0.989   1.902   0.549
  113SER    HB1 1584   0.914   1.958   0.607
  113SER    HB2 1585   1.066   1.976   0.515
  113SER     OG 1586   1.054   1.805   0.632
  113SER    HG1 1587   0.986   1.757   0.683
  113SER      C 1588   1.015   1.745   0.355
  113SER      O 1589   0.987   1.626   0.352
  114ASP      N 1590   1.130   1.791   0.304
  114ASP     HN 1591   1.151   1.888   0.304
  114ASP     CA 1592   1.225   1.704   0.237
  114ASP     HA 1593   1.172   1.648   0.160
  114ASP     CB 1594   1.340   1.787   0.175
  114ASP    HB1 1595   1.422   1.721   0.141
  114ASP    HB2 1596   1.379   1.858   0.250
  114ASP     CG 1597   1.299   1.865   0.052
  114ASP    OD1 1598   1.197   1.834  -0.013
  114ASP    OD2 1599   1.386   1.949   0.014
  114ASP      C 1600   1.291   1.600   0.328
  114ASP      O 1601   1.356   1.508   0.281
  115THR      N 1602   1.281   1.617   0.462
  115THR     HN 1603   1.235   1.698   0.498
  115THR     CA 1604   1.340   1.523   0.556
  115THR     HA 1605   1.386   1.441   0.502
  115THR     CB 1606   1.450   1.585   0.644
  115THR     HB 1607   1.487   1.514   0.721
  115THR    OG1 1608   1.412   1.706   0.708
  115THR    HG1 1609   1.324   1.693   0.745
  115THR    CG2 1610   1.569   1.619   0.552
  115THR   HG21 1611   1.538   1.693   0.476
  115THR   HG22 1612   1.605   1.527   0.501
  115THR   HG23 1613   1.651   1.663   0.612
  115THR      C 1614   1.240   1.454   0.647
  115THR      O 1615   1.281   1.381   0.735
  116THR      N 1616   1.107   1.475   0.628
  116THR     HN 1617   1.074   1.531   0.553
  116THR     CA 1618   1.007   1.416   0.717
  116THR     HA 1619   1.046   1.324   0.758
  116THR     CB 1620   0.960   1.506   0.834
  116THR     HB 1621   0.885   1.450   0.896
  116THR    OG1 1622   0.901   1.628   0.789
  116THR    HG1 1623   0.818   1.600   0.748
  116THR    CG2 1624   1.077   1.542   0.926
  116THR   HG21 1625   1.151   1.606   0.872
  116THR   HG22 1626   1.128   1.450   0.961
  116THR   HG23 1627   1.040   1.598   1.014
  116THR      C 1628   0.881   1.378   0.643
  116THR      O 1629   0.832   1.452   0.556
  117TYR      N 1630   0.819   1.265   0.680
  117TYR     HN 1631   0.859   1.206   0.751
  117TYR     CA 1632   0.689   1.224   0.632
  117TYR     HA 1633   0.691   1.233   0.525
  117TYR     CB 1634   0.654   1.077   0.667
  117TYR    HB1 1635   0.555   1.048   0.626
  117TYR    HB2 1636   0.652   1.064   0.777
  117TYR     CG 1637   0.754   0.983   0.606
  117TYR    CD1 1638   0.778   0.980   0.468
  117TYR    HD1 1639   0.726   1.049   0.402
  117TYR    CE1 1640   0.868   0.887   0.414
  117TYR    HE1 1641   0.887   0.885   0.308
  117TYR     CZ 1642   0.932   0.795   0.497
  117TYR     OH 1643   1.020   0.700   0.442
  117TYR     HH 1644   1.042   0.635   0.511
  117TYR    CD2 1645   0.819   0.890   0.688
  117TYR    HD2 1646   0.798   0.888   0.794
  117TYR    CE2 1647   0.908   0.797   0.634
  117TYR    HE2 1648   0.956   0.724   0.699
  117TYR      C 1649   0.575   1.312   0.679
  117TYR      O 1650   0.585   1.387   0.777
  118GLN      N 1651   0.462   1.309   0.606
  118GLN     HN 1652   0.456   1.250   0.525
  118GLN     CA 1653   0.340   1.372   0.649
  118GLN     HA 1654   0.362   1.453   0.717
  118GLN     CB 1655   0.261   1.427   0.527
  118GLN    HB1 1656   0.237   1.342   0.459
  118GLN    HB2 1657   0.329   1.495   0.472
  118GLN     CG 1658   0.131   1.505   0.561
  118GLN    HG1 1659   0.058   1.438   0.610
  118GLN    HG2 1660   0.086   1.542   0.467
  118GLN     CD 1661   0.160   1.625   0.650
  118GLN    OE1 1662   0.211   1.728   0.603
  118GLN    NE2 1663   0.129   1.615   0.780
  118GLN   HE21 1664   0.083   1.533   0.814
  118GLN   HE22 1665   0.163   1.690   0.838
  118GLN      C 1666   0.254   1.271   0.724
  118GLN      O 1667   0.209   1.172   0.669
  119GLU      N 1668   0.229   1.300   0.853
  119GLU     HN 1669   0.269   1.380   0.896
  119GLU     CA 1670   0.147   1.217   0.939
  119GLU     HA 1671   0.153   1.113   0.907
  119GLU     CB 1672   0.191   1.229   1.087
  119GLU    HB1 1673   0.126   1.164   1.151
  119GLU    HB2 1674   0.178   1.334   1.120
  119GLU     CG 1675   0.338   1.188   1.112
  119GLU    HG1 1676   0.368   1.213   1.216
  119GLU    HG2 1677   0.407   1.237   1.041
  119GLU     CD 1678   0.359   1.037   1.099
  119GLU    OE1 1679   0.257   0.964   1.093
  119GLU    OE2 1680   0.477   0.998   1.100
  119GLU      C 1681   0.004   1.262   0.932
  119GLU      O 1682  -0.025   1.382   0.920
  120PHE      N 1683  -0.090   1.167   0.942
  120PHE     HN 1684  -0.062   1.070   0.941
  120PHE     CA 1685  -0.232   1.192   0.943
  120PHE     HA 1686  -0.251   1.298   0.957
  120PHE     CB 1687  -0.302   1.142   0.814
  120PHE    HB1 1688  -0.412   1.148   0.823
  120PHE    HB2 1689  -0.274   1.036   0.796
  120PHE     CG 1690  -0.260   1.222   0.694
  120PHE    CD1 1691  -0.140   1.193   0.625
  120PHE    HD1 1692  -0.074   1.116   0.663
  120PHE    CE1 1693  -0.109   1.259   0.506
  120PHE    HE1 1694  -0.018   1.233   0.454
  120PHE     CZ 1695  -0.196   1.357   0.455
  120PHE     HZ 1696  -0.172   1.408   0.363
  120PHE    CD2 1697  -0.346   1.320   0.641
  120PHE    HD2 1698  -0.439   1.340   0.692
  120PHE    CE2 1699  -0.314   1.388   0.523
  120PHE    HE2 1700  -0.382   1.462   0.483
  120PHE      C 1701  -0.294   1.120   1.060
  120PHE      O 1702  -0.275   1.002   1.080
  121THR      N 1703  -0.374   1.192   1.141
  121THR     HN 1704  -0.384   1.290   1.130
  121THR     CA 1705  -0.452   1.130   1.247
  121THR     HA 1706  -0.413   1.032   1.272
  121THR     CB 1707  -0.455   1.214   1.374
  121THR     HB 1708  -0.495   1.315   1.352
  121THR    OG1 1709  -0.322   1.227   1.423
  121THR    HG1 1710  -0.296   1.135   1.442
  121THR    CG2 1711  -0.539   1.148   1.484
  121THR   HG21 1712  -0.500   1.046   1.508
  121THR   HG22 1713  -0.646   1.139   1.455
  121THR   HG23 1714  -0.534   1.209   1.577
  121THR      C 1715  -0.591   1.110   1.194
  121THR      O 1716  -0.667   1.207   1.175
  122LEU      N 1717  -0.627   0.986   1.160
  122LEU     HN 1718  -0.565   0.909   1.177
  122LEU     CA 1719  -0.749   0.957   1.087
  122LEU     HA 1720  -0.762   1.032   1.010
  122LEU     CB 1721  -0.738   0.818   1.018
  122LEU    HB1 1722  -0.835   0.793   0.968
  122LEU    HB2 1723  -0.719   0.741   1.095
  122LEU     CG 1724  -0.628   0.807   0.910
  122LEU     HG 1725  -0.530   0.836   0.955
  122LEU    CD1 1726  -0.615   0.661   0.863
  122LEU   HD11 1727  -0.709   0.627   0.817
  122LEU   HD12 1728  -0.590   0.594   0.948
  122LEU   HD13 1729  -0.533   0.652   0.788
  122LEU    CD2 1730  -0.655   0.899   0.790
  122LEU   HD21 1731  -0.655   1.005   0.820
  122LEU   HD22 1732  -0.753   0.874   0.744
  122LEU   HD23 1733  -0.576   0.884   0.713
  122LEU      C 1734  -0.874   0.961   1.172
  122LEU      O 1735  -0.983   0.991   1.122
  123LEU      N 1736  -0.864   0.936   1.303
  123LEU     HN 1737  -0.775   0.919   1.345
  123LEU     CA 1738  -0.981   0.925   1.389
  123LEU     HA 1739  -1.048   0.855   1.339
  123LEU     CB 1740  -0.946   0.867   1.528
  123LEU    HB1 1741  -0.880   0.940   1.580
  123LEU    HB2 1742  -0.887   0.775   1.513
  123LEU     CG 1743  -1.067   0.834   1.618
  123LEU     HG 1744  -1.134   0.923   1.623
  123LEU    CD1 1745  -1.147   0.715   1.562
  123LEU   HD11 1746  -1.082   0.626   1.551
  123LEU   HD12 1747  -1.189   0.739   1.462
  123LEU   HD13 1748  -1.231   0.689   1.629
  123LEU    CD2 1749  -1.023   0.803   1.762
  123LEU   HD21 1750  -0.963   0.888   1.802
  123LEU   HD22 1751  -0.959   0.712   1.764
  123LEU   HD23 1752  -1.111   0.787   1.827
  123LEU      C 1753  -1.059   1.055   1.405
  123LEU      O 1754  -1.006   1.157   1.452
  124GLY      N 1755  -1.188   1.056   1.367
  124GLY     HN 1756  -1.230   0.974   1.325
  124GLY     CA 1757  -1.274   1.174   1.373
  124GLY    HA1 1758  -1.245   1.236   1.457
  124GLY    HA2 1759  -1.376   1.140   1.378
  124GLY      C 1760  -1.263   1.258   1.249
  124GLY      O 1761  -1.309   1.373   1.245
  125ASN      N 1762  -1.203   1.204   1.143
  125ASN     HN 1763  -1.173   1.108   1.147
  125ASN     CA 1764  -1.172   1.274   1.021
  125ASN     HA 1765  -1.235   1.361   1.012
  125ASN     CB 1766  -1.022   1.315   1.013
  125ASN    HB1 1767  -1.001   1.366   0.916
  125ASN    HB2 1768  -0.957   1.226   1.019
  125ASN     CG 1769  -0.986   1.415   1.122
  125ASN    OD1 1770  -1.017   1.533   1.113
  125ASN    ND2 1771  -0.909   1.370   1.224
  125ASN   HD21 1772  -0.873   1.276   1.222
  125ASN   HD22 1773  -0.893   1.428   1.301
  125ASN      C 1774  -1.208   1.183   0.904
  125ASN      O 1775  -1.238   1.066   0.919
  126GLU      N 1776  -1.208   1.242   0.783
  126GLU     HN 1777  -1.185   1.338   0.772
  126GLU     CA 1778  -1.236   1.169   0.662
  126GLU     HA 1779  -1.228   1.063   0.680
  126GLU     CB 1780  -1.378   1.204   0.607
  126GLU    HB1 1781  -1.450   1.191   0.691
  126GLU    HB2 1782  -1.405   1.129   0.529
  126GLU     CG 1783  -1.391   1.346   0.546
  126GLU    HG1 1784  -1.332   1.352   0.453
  126GLU    HG2 1785  -1.352   1.420   0.618
  126GLU     CD 1786  -1.534   1.388   0.513
  126GLU    OE1 1787  -1.632   1.318   0.544
  126GLU    OE2 1788  -1.546   1.502   0.455
  126GLU      C 1789  -1.130   1.204   0.561
  126GLU      O 1790  -1.061   1.308   0.571
  127PHE      N 1791  -1.112   1.117   0.462
  127PHE     HN 1792  -1.173   1.036   0.457
  127PHE     CA 1793  -1.013   1.128   0.359
  127PHE     HA 1794  -0.971   1.228   0.358
  127PHE     CB 1795  -0.901   1.023   0.382
  127PHE    HB1 1796  -0.941   0.920   0.373
  127PHE    HB2 1797  -0.861   1.035   0.484
  127PHE     CG 1798  -0.787   1.040   0.284
  127PHE    CD1 1799  -0.680   1.125   0.315
  127PHE    HD1 1800  -0.680   1.179   0.408
  127PHE    CE1 1801  -0.571   1.137   0.228
  127PHE    HE1 1802  -0.487   1.201   0.254
  127PHE     CZ 1803  -0.569   1.064   0.109
  127PHE     HZ 1804  -0.484   1.072   0.041
  127PHE    CD2 1805  -0.784   0.967   0.164
  127PHE    HD2 1806  -0.865   0.900   0.140
  127PHE    CE2 1807  -0.676   0.981   0.076
  127PHE    HE2 1808  -0.674   0.924  -0.016
  127PHE      C 1809  -1.085   1.107   0.226
  127PHE      O 1810  -1.158   1.012   0.208
  128SER      N 1811  -1.065   1.203   0.133
  128SER     HN 1812  -1.002   1.278   0.151
  128SER     CA 1813  -1.126   1.202   0.002
  128SER     HA 1814  -1.181   1.111  -0.015
  128SER     CB 1815  -1.222   1.324  -0.017
  128SER    HB1 1816  -1.167   1.417   0.011
  128SER    HB2 1817  -1.306   1.312   0.055
  128SER     OG 1818  -1.276   1.339  -0.149
  128SER    HG1 1819  -1.201   1.344  -0.211
  128SER      C 1820  -1.016   1.210  -0.101
  128SER      O 1821  -0.917   1.281  -0.082
  129PHE      N 1822  -1.031   1.138  -0.213
  129PHE     HN 1823  -1.108   1.075  -0.226
  129PHE     CA 1824  -0.937   1.147  -0.323
  129PHE     HA 1825  -0.909   1.250  -0.336
  129PHE     CB 1826  -0.808   1.061  -0.302
  129PHE    HB1 1827  -0.759   1.091  -0.207
  129PHE    HB2 1828  -0.737   1.081  -0.385
  129PHE     CG 1829  -0.835   0.912  -0.295
  129PHE    CD1 1830  -0.896   0.856  -0.182
  129PHE    HD1 1831  -0.923   0.919  -0.099
  129PHE    CE1 1832  -0.926   0.719  -0.178
  129PHE    HE1 1833  -0.978   0.678  -0.093
  129PHE     CZ 1834  -0.893   0.637  -0.286
  129PHE     HZ 1835  -0.920   0.533  -0.285
  129PHE    CD2 1836  -0.798   0.828  -0.402
  129PHE    HD2 1837  -0.749   0.869  -0.489
  129PHE    CE2 1838  -0.827   0.691  -0.397
  129PHE    HE2 1839  -0.800   0.626  -0.479
  129PHE      C 1840  -1.013   1.106  -0.448
  129PHE      O 1841  -1.112   1.034  -0.443
  130ASP      N 1842  -0.967   1.156  -0.565
  130ASP     HN 1843  -0.887   1.215  -0.567
  130ASP     CA 1844  -1.013   1.111  -0.694
  130ASP     HA 1845  -1.109   1.062  -0.684
  130ASP     CB 1846  -1.020   1.224  -0.802
  130ASP    HB1 1847  -1.050   1.178  -0.897
  130ASP    HB2 1848  -0.919   1.269  -0.812
  130ASP     CG 1849  -1.119   1.337  -0.778
  130ASP    OD1 1850  -1.200   1.337  -0.685
  130ASP    OD2 1851  -1.115   1.430  -0.867
  130ASP      C 1852  -0.913   1.006  -0.744
  130ASP      O 1853  -0.792   1.014  -0.717
  131VAL      N 1854  -0.959   0.907  -0.821
  131VAL     HN 1855  -1.057   0.897  -0.839
  131VAL     CA 1856  -0.872   0.802  -0.872
  131VAL     HA 1857  -0.773   0.844  -0.888
  131VAL     CB 1858  -0.857   0.686  -0.773
  131VAL     HB 1859  -0.826   0.731  -0.676
  131VAL    CG1 1860  -0.992   0.614  -0.750
  131VAL   HG11 1861  -1.026   0.561  -0.841
  131VAL   HG12 1862  -1.071   0.685  -0.717
  131VAL   HG13 1863  -0.980   0.538  -0.669
  131VAL    CG2 1864  -0.746   0.589  -0.816
  131VAL   HG21 1865  -0.650   0.643  -0.830
  131VAL   HG22 1866  -0.771   0.537  -0.911
  131VAL   HG23 1867  -0.731   0.512  -0.738
  131VAL      C 1868  -0.922   0.758  -1.008
  131VAL      O 1869  -1.041   0.757  -1.036
  132ASP      N 1870  -0.828   0.726  -1.099
  132ASP     HN 1871  -0.731   0.732  -1.073
  132ASP     CA 1872  -0.854   0.670  -1.230
  132ASP     HA 1873  -0.960   0.655  -1.244
  132ASP     CB 1874  -0.798   0.762  -1.342
  132ASP    HB1 1875  -0.689   0.775  -1.325
  132ASP    HB2 1876  -0.845   0.862  -1.335
  132ASP     CG 1877  -0.816   0.710  -1.485
  132ASP    OD1 1878  -0.901   0.623  -1.511
  132ASP    OD2 1879  -0.744   0.765  -1.574
  132ASP      C 1880  -0.786   0.534  -1.230
  132ASP      O 1881  -0.664   0.523  -1.213
  133VAL      N 1882  -0.866   0.427  -1.246
  133VAL     HN 1883  -0.964   0.439  -1.258
  133VAL     CA 1884  -0.819   0.289  -1.240
  133VAL     HA 1885  -0.713   0.286  -1.220
  133VAL     CB 1886  -0.892   0.210  -1.131
  133VAL     HB 1887  -0.859   0.103  -1.134
  133VAL    CG1 1888  -0.854   0.266  -0.992
  133VAL   HG11 1889  -0.893   0.368  -0.979
  133VAL   HG12 1890  -0.744   0.267  -0.980
  133VAL   HG13 1891  -0.897   0.201  -0.913
  133VAL    CG2 1892  -1.045   0.214  -1.153
  133VAL   HG21 1893  -1.072   0.175  -1.252
  133VAL   HG22 1894  -1.085   0.317  -1.141
  133VAL   HG23 1895  -1.094   0.151  -1.077
  133VAL      C 1896  -0.841   0.223  -1.375
  133VAL      O 1897  -0.827   0.101  -1.390
  134SER      N 1898  -0.873   0.301  -1.479
  134SER     HN 1899  -0.879   0.401  -1.466
  134SER     CA 1900  -0.916   0.251  -1.609
  134SER     HA 1901  -0.998   0.182  -1.590
  134SER     CB 1902  -0.968   0.363  -1.703
  134SER    HB1 1903  -1.054   0.412  -1.652
  134SER    HB2 1904  -1.006   0.317  -1.797
  134SER     OG 1905  -0.871   0.463  -1.734
  134SER    HG1 1906  -0.866   0.522  -1.655
  134SER      C 1907  -0.811   0.170  -1.683
  134SER      O 1908  -0.844   0.081  -1.763
  135GLN      N 1909  -0.683   0.200  -1.659
  135GLN     HN 1910  -0.662   0.271  -1.592
  135GLN     CA 1911  -0.570   0.137  -1.724
  135GLN     HA 1912  -0.603   0.093  -1.818
  135GLN     CB 1913  -0.459   0.242  -1.752
  135GLN    HB1 1914  -0.376   0.192  -1.807
  135GLN    HB2 1915  -0.419   0.279  -1.656
  135GLN     CG 1916  -0.504   0.364  -1.835
  135GLN    HG1 1917  -0.416   0.426  -1.861
  135GLN    HG2 1918  -0.572   0.427  -1.774
  135GLN     CD 1919  -0.573   0.324  -1.967
  135GLN    OE1 1920  -0.513   0.266  -2.057
  135GLN    NE2 1921  -0.703   0.360  -1.979
  135GLN   HE21 1922  -0.750   0.399  -1.901
  135GLN   HE22 1923  -0.748   0.329  -2.063
  135GLN      C 1924  -0.513   0.023  -1.641
  135GLN      O 1925  -0.406  -0.027  -1.671
  136LEU      N 1926  -0.585  -0.022  -1.536
  136LEU     HN 1927  -0.672   0.021  -1.510
  136LEU     CA 1928  -0.544  -0.134  -1.454
  136LEU     HA 1929  -0.440  -0.157  -1.471
  136LEU     CB 1930  -0.558  -0.102  -1.302
  136LEU    HB1 1931  -0.525  -0.191  -1.243
  136LEU    HB2 1932  -0.666  -0.083  -1.279
  136LEU     CG 1933  -0.479   0.020  -1.252
  136LEU     HG 1934  -0.510   0.110  -1.309
  136LEU    CD1 1935  -0.511   0.044  -1.104
  136LEU   HD11 1936  -0.481  -0.045  -1.043
  136LEU   HD12 1937  -0.620   0.060  -1.089
  136LEU   HD13 1938  -0.457   0.132  -1.065
  136LEU    CD2 1939  -0.327   0.001  -1.271
  136LEU   HD21 1940  -0.302  -0.006  -1.379
  136LEU   HD22 1941  -0.293  -0.091  -1.220
  136LEU   HD23 1942  -0.273   0.088  -1.229
  136LEU      C 1943  -0.631  -0.255  -1.485
  136LEU      O 1944  -0.750  -0.257  -1.450
  137PRO      N 1945  -0.582  -0.360  -1.550
  137PRO     CD 1946  -0.456  -0.361  -1.625
  137PRO    HD1 1947  -0.369  -0.345  -1.558
  137PRO    HD2 1948  -0.459  -0.283  -1.704
  137PRO     CA 1949  -0.660  -0.482  -1.571
  137PRO     HA 1950  -0.766  -0.461  -1.579
  137PRO     CB 1951  -0.597  -0.537  -1.700
  137PRO    HB1 1952  -0.640  -0.484  -1.787
  137PRO    HB2 1953  -0.612  -0.646  -1.716
  137PRO     CG 1954  -0.449  -0.500  -1.689
  137PRO    HG1 1955  -0.397  -0.570  -1.620
  137PRO    HG2 1956  -0.397  -0.500  -1.787
  137PRO      C 1957  -0.638  -0.576  -1.453
  137PRO      O 1958  -0.587  -0.535  -1.350
  138CYS      N 1959  -0.676  -0.705  -1.470
  138CYS     HN 1960  -0.717  -0.734  -1.554
  138CYS     CA 1961  -0.653  -0.811  -1.373
  138CYS     HA 1962  -0.704  -0.785  -1.281
  138CYS     CB 1963  -0.705  -0.947  -1.427
  138CYS    HB1 1964  -0.687  -1.026  -1.350
  138CYS    HB2 1965  -0.646  -0.974  -1.518
  138CYS     SG 1966  -0.881  -0.947  -1.471
  138CYS      C 1967  -0.506  -0.832  -1.341
  138CYS      O 1968  -0.421  -0.831  -1.431
  139GLY      N 1969  -0.474  -0.854  -1.212
  139GLY     HN 1970  -0.549  -0.860  -1.144
  139GLY     CA 1971  -0.339  -0.885  -1.167
  139GLY    HA1 1972  -0.281  -0.924  -1.249
  139GLY    HA2 1973  -0.347  -0.956  -1.086
  139GLY      C 1974  -0.260  -0.767  -1.117
  139GLY      O 1975  -0.150  -0.782  -1.067
  140LEU      N 1976  -0.317  -0.646  -1.130
  140LEU     HN 1977  -0.408  -0.640  -1.170
  140LEU     CA 1978  -0.255  -0.523  -1.088
  140LEU     HA 1979  -0.155  -0.542  -1.051
  140LEU     CB 1980  -0.248  -0.416  -1.201
  140LEU    HB1 1981  -0.231  -0.315  -1.155
  140LEU    HB2 1982  -0.344  -0.412  -1.255
  140LEU     CG 1983  -0.131  -0.433  -1.301
  140LEU     HG 1984  -0.037  -0.448  -1.241
  140LEU    CD1 1985  -0.146  -0.555  -1.393
  140LEU   HD11 1986  -0.243  -0.551  -1.448
  140LEU   HD12 1987  -0.142  -0.649  -1.335
  140LEU   HD13 1988  -0.063  -0.557  -1.467
  140LEU    CD2 1989  -0.113  -0.305  -1.383
  140LEU   HD21 1990  -0.085  -0.220  -1.317
  140LEU   HD22 1991  -0.207  -0.279  -1.436
  140LEU   HD23 1992  -0.033  -0.319  -1.458
  140LEU      C 1993  -0.333  -0.466  -0.973
  140LEU      O 1994  -0.452  -0.495  -0.955
  141ASN      N 1995  -0.268  -0.383  -0.891
  141ASN     HN 1996  -0.169  -0.366  -0.903
  141ASN     CA 1997  -0.331  -0.316  -0.780
  141ASN     HA 1998  -0.437  -0.302  -0.801
  141ASN     CB 1999  -0.315  -0.403  -0.653
  141ASN    HB1 2000  -0.207  -0.424  -0.635
  141ASN    HB2 2001  -0.367  -0.499  -0.673
  141ASN     CG 2002  -0.376  -0.344  -0.526
  141ASN    OD1 2003  -0.436  -0.236  -0.525
  141ASN    ND2 2004  -0.361  -0.418  -0.414
  141ASN   HD21 2005  -0.395  -0.381  -0.328
  141ASN   HD22 2006  -0.310  -0.504  -0.419
  141ASN      C 2007  -0.268  -0.178  -0.771
  141ASN      O 2008  -0.149  -0.163  -0.752
  142GLY      N 2009  -0.352  -0.074  -0.789
  142GLY     HN 2010  -0.449  -0.091  -0.806
  142GLY     CA 2011  -0.316   0.063  -0.755
  142GLY    HA1 2012  -0.363   0.128  -0.826
  142GLY    HA2 2013  -0.208   0.075  -0.749
  142GLY      C 2014  -0.375   0.091  -0.621
  142GLY      O 2015  -0.496   0.102  -0.607
  143ALA      N 2016  -0.289   0.106  -0.519
  143ALA     HN 2017  -0.191   0.105  -0.533
  143ALA     CA 2018  -0.333   0.113  -0.381
  143ALA     HA 2019  -0.440   0.098  -0.376
  143ALA     CB 2020  -0.266   0.004  -0.296
  143ALA    HB1 2021  -0.156   0.015  -0.295
  143ALA    HB2 2022  -0.290  -0.097  -0.338
  143ALA    HB3 2023  -0.303   0.006  -0.191
  143ALA      C 2024  -0.303   0.249  -0.323
  143ALA      O 2025  -0.207   0.319  -0.360
  144LEU      N 2026  -0.389   0.292  -0.229
  144LEU     HN 2027  -0.462   0.230  -0.199
  144LEU     CA 2028  -0.369   0.411  -0.151
  144LEU     HA 2029  -0.264   0.439  -0.153
  144LEU     CB 2030  -0.457   0.530  -0.200
  144LEU    HB1 2031  -0.564   0.501  -0.199
  144LEU    HB2 2032  -0.428   0.547  -0.306
  144LEU     CG 2033  -0.438   0.663  -0.123
  144LEU     HG 2034  -0.331   0.669  -0.093
  144LEU    CD1 2035  -0.469   0.782  -0.215
  144LEU   HD11 2036  -0.575   0.779  -0.246
  144LEU   HD12 2037  -0.406   0.779  -0.306
  144LEU   HD13 2038  -0.449   0.878  -0.162
  144LEU    CD2 2039  -0.526   0.673   0.003
  144LEU   HD21 2040  -0.504   0.592   0.076
  144LEU   HD22 2041  -0.634   0.666  -0.024
  144LEU   HD23 2042  -0.508   0.769   0.055
  144LEU      C 2043  -0.403   0.371  -0.010
  144LEU      O 2044  -0.511   0.318   0.016
  145TYR      N 2045  -0.312   0.394   0.085
  145TYR     HN 2046  -0.225   0.441   0.066
  145TYR     CA 2047  -0.326   0.335   0.215
  145TYR     HA 2048  -0.428   0.346   0.248
  145TYR     CB 2049  -0.293   0.182   0.214
  145TYR    HB1 2050  -0.360   0.131   0.142
  145TYR    HB2 2051  -0.312   0.135   0.313
  145TYR     CG 2052  -0.152   0.149   0.174
  145TYR    CD1 2053  -0.112   0.154   0.040
  145TYR    HD1 2054  -0.182   0.185  -0.036
  145TYR    CE1 2055   0.017   0.114   0.002
  145TYR    HE1 2056   0.047   0.119  -0.101
  145TYR     CZ 2057   0.105   0.063   0.099
  145TYR     OH 2058   0.232   0.016   0.063
  145TYR     HH 2059   0.264  -0.035   0.140
  145TYR    CD2 2060  -0.063   0.098   0.270
  145TYR    HD2 2061  -0.096   0.084   0.372
  145TYR    CE2 2062   0.065   0.055   0.233
  145TYR    HE2 2063   0.130   0.012   0.308
  145TYR      C 2064  -0.243   0.413   0.314
  145TYR      O 2065  -0.169   0.504   0.279
  146PHE      N 2066  -0.261   0.383   0.444
  146PHE     HN 2067  -0.322   0.307   0.468
  146PHE     CA 2068  -0.187   0.444   0.551
  146PHE     HA 2069  -0.107   0.505   0.511
  146PHE     CB 2070  -0.276   0.528   0.646
  146PHE    HB1 2071  -0.218   0.562   0.734
  146PHE    HB2 2072  -0.361   0.467   0.683
  146PHE     CG 2073  -0.330   0.650   0.579
  146PHE    CD1 2074  -0.261   0.772   0.591
  146PHE    HD1 2075  -0.167   0.775   0.644
  146PHE    CE1 2076  -0.313   0.889   0.535
  146PHE    HE1 2077  -0.258   0.980   0.542
  146PHE     CZ 2078  -0.435   0.886   0.468
  146PHE     HZ 2079  -0.475   0.976   0.424
  146PHE    CD2 2080  -0.454   0.648   0.512
  146PHE    HD2 2081  -0.507   0.555   0.505
  146PHE    CE2 2082  -0.506   0.765   0.456
  146PHE    HE2 2083  -0.601   0.763   0.405
  146PHE      C 2084  -0.123   0.336   0.635
  146PHE      O 2085  -0.179   0.229   0.653
  147VAL      N 2086  -0.005   0.365   0.693
  147VAL     HN 2087   0.040   0.452   0.676
  147VAL     CA 2088   0.066   0.272   0.779
  147VAL     HA 2089  -0.003   0.201   0.822
  147VAL     CB 2090   0.176   0.193   0.707
  147VAL     HB 2091   0.238   0.137   0.781
  147VAL    CG1 2092   0.114   0.087   0.615
  147VAL   HG11 2093   0.056   0.134   0.533
  147VAL   HG12 2094   0.046   0.020   0.671
  147VAL   HG13 2095   0.193   0.024   0.568
  147VAL    CG2 2096   0.267   0.287   0.627
  147VAL   HG21 2097   0.314   0.364   0.692
  147VAL   HG22 2098   0.209   0.339   0.548
  147VAL   HG23 2099   0.348   0.229   0.578
  147VAL      C 2100   0.127   0.350   0.893
  147VAL      O 2101   0.162   0.467   0.880
  148SER      N 2102   0.138   0.289   1.013
  148SER     HN 2103   0.105   0.194   1.022
  148SER     CA 2104   0.196   0.354   1.129
  148SER     HA 2105   0.168   0.458   1.128
  148SER     CB 2106   0.146   0.296   1.264
  148SER    HB1 2107   0.202   0.340   1.349
  148SER    HB2 2108   0.163   0.185   1.264
  148SER     OG 2109   0.007   0.322   1.285
  148SER    HG1 2110  -0.004   0.417   1.279
  148SER      C 2111   0.349   0.352   1.130
  148SER      O 2112   0.412   0.289   1.214
  149MET      N 2113   0.410   0.427   1.036
  149MET     HN 2114   0.354   0.478   0.971
  149MET     CA 2115   0.553   0.449   1.028
  149MET     HA 2116   0.603   0.359   1.059
  149MET     CB 2117   0.598   0.483   0.883
  149MET    HB1 2118   0.705   0.515   0.883
  149MET    HB2 2119   0.537   0.568   0.846
  149MET     CG 2120   0.588   0.365   0.785
  149MET    HG1 2121   0.492   0.311   0.804
  149MET    HG2 2122   0.669   0.292   0.807
  149MET     SD 2123   0.593   0.413   0.609
  149MET     CE 2124   0.757   0.488   0.603
  149MET    HE1 2125   0.836   0.416   0.634
  149MET    HE2 2126   0.763   0.576   0.671
  149MET    HE3 2127   0.781   0.524   0.501
  149MET      C 2128   0.598   0.559   1.122
  149MET      O 2129   0.518   0.635   1.177
  150ASP      N 2130   0.730   0.570   1.145
  150ASP     HN 2131   0.795   0.505   1.105
  150ASP     CA 2132   0.787   0.682   1.216
  150ASP     HA 2133   0.716   0.717   1.290
  150ASP     CB 2134   0.919   0.641   1.287
  150ASP    HB1 2135   0.960   0.728   1.342
  150ASP    HB2 2136   0.994   0.611   1.211
  150ASP     CG 2137   0.907   0.526   1.388
  150ASP    OD1 2138   0.806   0.517   1.464
  150ASP    OD2 2139   1.005   0.452   1.405
  150ASP      C 2140   0.814   0.796   1.117
  150ASP      O 2141   0.862   0.774   1.005
  151ALA      N 2142   0.788   0.923   1.156
  151ALA     HN 2143   0.743   0.936   1.243
  151ALA     CA 2144   0.794   1.041   1.070
  151ALA     HA 2145   0.721   1.026   0.991
  151ALA     CB 2146   0.755   1.168   1.150
  151ALA    HB1 2147   0.831   1.190   1.228
  151ALA    HB2 2148   0.657   1.152   1.198
  151ALA    HB3 2149   0.747   1.255   1.081
  151ALA      C 2150   0.929   1.068   1.006
  151ALA      O 2151   0.939   1.123   0.896
  152ASP      N 2152   1.038   1.033   1.076
  152ASP     HN 2153   1.030   0.984   1.163
  152ASP     CA 2154   1.173   1.060   1.034
  152ASP     HA 2155   1.173   1.142   0.964
  152ASP     CB 2156   1.259   1.099   1.159
  152ASP    HB1 2157   1.211   1.186   1.208
  152ASP    HB2 2158   1.361   1.128   1.125
  152ASP     CG 2159   1.277   0.990   1.264
  152ASP    OD1 2160   1.211   0.884   1.253
  152ASP    OD2 2161   1.358   1.010   1.359
  152ASP      C 2162   1.232   0.940   0.959
  152ASP      O 2163   1.344   0.946   0.909
  153GLY      N 2164   1.156   0.830   0.946
  153GLY     HN 2165   1.062   0.829   0.984
  153GLY     CA 2166   1.200   0.707   0.881
  153GLY    HA1 2167   1.263   0.732   0.797
  153GLY    HA2 2168   1.111   0.652   0.852
  153GLY      C 2169   1.279   0.618   0.973
  153GLY      O 2170   1.339   0.521   0.929
  154GLY      N 2171   1.279   0.649   1.104
  154GLY     HN 2172   1.233   0.733   1.137
  154GLY     CA 2173   1.341   0.567   1.208
  154GLY    HA1 2174   1.348   0.464   1.175
  154GLY    HA2 2175   1.279   0.577   1.296
  154GLY      C 2176   1.480   0.611   1.247
  154GLY      O 2177   1.553   0.539   1.312
  155VAL      N 2178   1.521   0.733   1.206
  155VAL     HN 2179   1.457   0.791   1.156
  155VAL     CA 2180   1.653   0.789   1.234
  155VAL     HA 2181   1.728   0.719   1.198
  155VAL     CB 2182   1.674   0.923   1.163
  155VAL     HB 2183   1.593   0.993   1.193
  155VAL    CG1 2184   1.811   0.986   1.196
  155VAL   HG11 2185   1.893   0.915   1.170
  155VAL   HG12 2186   1.821   1.012   1.303
  155VAL   HG13 2187   1.826   1.079   1.136
  155VAL    CG2 2188   1.665   0.899   1.011
  155VAL   HG21 2189   1.566   0.858   0.983
  155VAL   HG22 2190   1.744   0.828   0.979
  155VAL   HG23 2191   1.679   0.995   0.956
  155VAL      C 2192   1.681   0.805   1.383
  155VAL      O 2193   1.786   0.771   1.434
  156SER      N 2194   1.582   0.859   1.458
  156SER     HN 2195   1.497   0.891   1.415
  156SER     CA 2196   1.592   0.876   1.602
  156SER     HA 2197   1.682   0.934   1.621
  156SER     CB 2198   1.471   0.954   1.659
  156SER    HB1 2199   1.472   1.057   1.615
  156SER    HB2 2200   1.479   0.965   1.770
  156SER     OG 2201   1.346   0.894   1.624
  156SER    HG1 2202   1.329   0.917   1.531
  156SER      C 2203   1.610   0.748   1.684
  156SER      O 2204   1.691   0.742   1.775
  157LYS      N 2205   1.532   0.643   1.650
  157LYS     HN 2206   1.466   0.654   1.577
  157LYS     CA 2207   1.538   0.513   1.714
  157LYS     HA 2208   1.539   0.528   1.822
  157LYS     CB 2209   1.414   0.428   1.676
  157LYS    HB1 2210   1.424   0.326   1.719
  157LYS    HB2 2211   1.410   0.419   1.565
  157LYS     CG 2212   1.281   0.485   1.725
  157LYS    HG1 2213   1.266   0.588   1.685
  157LYS    HG2 2214   1.282   0.493   1.837
  157LYS     CD 2215   1.163   0.398   1.681
  157LYS    HD1 2216   1.178   0.294   1.720
  157LYS    HD2 2217   1.165   0.392   1.570
  157LYS     CE 2218   1.027   0.451   1.727
  157LYS    HE1 2219   1.011   0.555   1.689
  157LYS    HE2 2220   1.020   0.452   1.838
  157LYS     NZ 2221   0.918   0.368   1.673
  157LYS    HZ1 2222   0.932   0.268   1.700
  157LYS    HZ2 2223   0.918   0.381   1.568
  157LYS    HZ3 2224   0.827   0.403   1.708
  157LYS      C 2225   1.663   0.433   1.681
  157LYS      O 2226   1.719   0.361   1.763
  158TYR      N 2227   1.708   0.447   1.554
  158TYR     HN 2228   1.663   0.509   1.490
  158TYR     CA 2229   1.814   0.365   1.498
  158TYR     HA 2230   1.856   0.301   1.574
  158TYR     CB 2231   1.758   0.273   1.385
  158TYR    HB1 2232   1.833   0.198   1.356
  158TYR    HB2 2233   1.732   0.334   1.295
  158TYR     CG 2234   1.631   0.203   1.430
  158TYR    CD1 2235   1.633   0.119   1.542
  158TYR    HD1 2236   1.725   0.101   1.594
  158TYR    CE1 2237   1.513   0.064   1.592
  158TYR    HE1 2238   1.515   0.003   1.681
  158TYR     CZ 2239   1.391   0.090   1.528
  158TYR     OH 2240   1.270   0.038   1.577
  158TYR     HH 2241   1.203   0.052   1.507
  158TYR    CD2 2242   1.509   0.225   1.364
  158TYR    HD2 2243   1.506   0.289   1.277
  158TYR    CE2 2244   1.390   0.170   1.413
  158TYR    HE2 2245   1.296   0.191   1.363
  158TYR      C 2246   1.923   0.455   1.443
  158TYR      O 2247   1.912   0.499   1.324
  159PRO      N 2248   2.033   0.484   1.511
  159PRO     CD 2249   2.044   0.459   1.656
  159PRO    HD1 2250   2.097   0.362   1.670
  159PRO    HD2 2251   1.946   0.457   1.708
  159PRO     CA 2252   2.126   0.589   1.469
  159PRO     HA 2253   2.069   0.677   1.444
  159PRO     CB 2254   2.218   0.608   1.591
  159PRO    HB1 2255   2.259   0.711   1.595
  159PRO    HB2 2256   2.302   0.535   1.589
  159PRO     CG 2257   2.126   0.576   1.709
  159PRO    HG1 2258   2.179   0.554   1.803
  159PRO    HG2 2259   2.058   0.663   1.726
  159PRO      C 2260   2.211   0.552   1.349
  159PRO      O 2261   2.278   0.639   1.292
  160THR      N 2262   2.215   0.423   1.311
  160THR     HN 2263   2.163   0.354   1.360
  160THR     CA 2264   2.288   0.373   1.195
  160THR     HA 2265   2.382   0.426   1.188
  160THR     CB 2266   2.316   0.224   1.203
  160THR     HB 2267   2.342   0.180   1.104
  160THR    OG1 2268   2.206   0.154   1.260
  160THR    HG1 2269   2.169   0.101   1.187
  160THR    CG2 2270   2.437   0.202   1.296
  160THR   HG21 2271   2.414   0.237   1.399
  160THR   HG22 2272   2.525   0.257   1.258
  160THR   HG23 2273   2.462   0.094   1.301
  160THR      C 2274   2.213   0.402   1.066
  160THR      O 2275   2.270   0.402   0.957
  161ASN      N 2276   2.083   0.435   1.078
  161ASN     HN 2277   2.040   0.440   1.168
  161ASN     CA 2278   2.007   0.493   0.971
  161ASN     HA 2279   2.041   0.453   0.876
  161ASN     CB 2280   1.856   0.461   0.990
  161ASN    HB1 2281   1.820   0.507   1.085
  161ASN    HB2 2282   1.843   0.352   0.998
  161ASN     CG 2283   1.772   0.511   0.874
  161ASN    OD1 2284   1.823   0.550   0.768
  161ASN    ND2 2285   1.638   0.514   0.894
  161ASN   HD21 2286   1.579   0.535   0.817
  161ASN   HD22 2287   1.600   0.491   0.984
  161ASN      C 2288   2.030   0.643   0.972
  161ASN      O 2289   1.990   0.714   1.064
  162THR      N 2290   2.097   0.696   0.869
  162THR     HN 2291   2.135   0.637   0.799
  162THR     CA 2292   2.121   0.839   0.853
  162THR     HA 2293   2.068   0.894   0.930
  162THR     CB 2294   2.269   0.878   0.862
  162THR     HB 2295   2.281   0.988   0.841
  162THR    OG1 2296   2.352   0.804   0.773
  162THR    HG1 2297   2.430   0.860   0.765
  162THR    CG2 2298   2.319   0.850   1.004
  162THR   HG21 2299   2.313   0.742   1.028
  162THR   HG22 2300   2.257   0.905   1.078
  162THR   HG23 2301   2.424   0.883   1.015
  162THR      C 2302   2.064   0.885   0.722
  162THR      O 2303   2.096   0.993   0.672
  163ALA      N 2304   1.977   0.803   0.661
  163ALA     HN 2305   1.947   0.718   0.706
  163ALA     CA 2306   1.917   0.832   0.533
  163ALA     HA 2307   1.972   0.910   0.482
  163ALA     CB 2308   1.919   0.703   0.449
  163ALA    HB1 2309   1.849   0.627   0.490
  163ALA    HB2 2310   2.021   0.660   0.447
  163ALA    HB3 2311   1.890   0.725   0.344
  163ALA      C 2312   1.775   0.881   0.553
  163ALA      O 2313   1.730   0.977   0.487
  164GLY      N 2314   1.703   0.821   0.649
  164GLY     HN 2315   1.741   0.740   0.695
  164GLY     CA 2316   1.570   0.860   0.691
  164GLY    HA1 2317   1.579   0.959   0.734
  164GLY    HA2 2318   1.535   0.787   0.762
  164GLY      C 2319   1.464   0.870   0.585
  164GLY      O 2320   1.470   0.806   0.478
  165ALA      N 2321   1.362   0.952   0.612
  165ALA     HN 2322   1.359   0.997   0.701
  165ALA     CA 2323   1.245   0.971   0.528
  165ALA     HA 2324   1.198   0.874   0.516
  165ALA     CB 2325   1.148   1.068   0.597
  165ALA    HB1 2326   1.194   1.168   0.608
  165ALA    HB2 2327   1.120   1.029   0.697
  165ALA    HB3 2328   1.054   1.077   0.538
  165ALA      C 2329   1.278   1.020   0.387
  165ALA      O 2330   1.210   0.985   0.290
  166LYS      N 2331   1.387   1.098   0.373
  166LYS     HN 2332   1.443   1.115   0.453
  166LYS     CA 2333   1.437   1.151   0.246
  166LYS     HA 2334   1.357   1.207   0.200
  166LYS     CB 2335   1.559   1.244   0.272
  166LYS    HB1 2336   1.640   1.185   0.320
  166LYS    HB2 2337   1.526   1.322   0.344
  166LYS     CG 2338   1.611   1.313   0.144
  166LYS    HG1 2339   1.523   1.354   0.090
  166LYS    HG2 2340   1.657   1.236   0.077
  166LYS     CD 2341   1.713   1.425   0.170
  166LYS    HD1 2342   1.804   1.380   0.218
  166LYS    HD2 2343   1.667   1.497   0.242
  166LYS     CE 2344   1.754   1.499   0.041
  166LYS    HE1 2345   1.663   1.546  -0.004
  166LYS    HE2 2346   1.797   1.428  -0.032
  166LYS     NZ 2347   1.854   1.606   0.066
  166LYS    HZ1 2348   1.942   1.567   0.106
  166LYS    HZ2 2349   1.818   1.677   0.133
  166LYS    HZ3 2350   1.878   1.656  -0.023
  166LYS      C 2351   1.475   1.042   0.147
  166LYS      O 2352   1.467   1.059   0.025
  167TYR      N 2353   1.520   0.925   0.195
  167TYR     HN 2354   1.526   0.910   0.294
  167TYR     CA 2355   1.554   0.814   0.109
  167TYR     HA 2356   1.541   0.842   0.005
  167TYR     CB 2357   1.701   0.770   0.125
  167TYR    HB1 2358   1.722   0.676   0.069
  167TYR    HB2 2359   1.721   0.752   0.233
  167TYR     CG 2360   1.795   0.877   0.074
  167TYR    CD1 2361   1.851   0.867  -0.054
  167TYR    HD1 2362   1.828   0.783  -0.117
  167TYR    CE1 2363   1.937   0.967  -0.103
  167TYR    HE1 2364   1.980   0.958  -0.202
  167TYR     CZ 2365   1.966   1.079  -0.024
  167TYR     OH 2366   2.051   1.179  -0.075
  167TYR     HH 2367   2.094   1.142  -0.152
  167TYR    CD2 2368   1.829   0.988   0.153
  167TYR    HD2 2369   1.786   0.997   0.252
  167TYR    CE2 2370   1.913   1.089   0.105
  167TYR    HE2 2371   1.938   1.174   0.166
  167TYR      C 2372   1.457   0.699   0.127
  167TYR      O 2373   1.485   0.585   0.090
  168GLY      N 2374   1.336   0.727   0.182
  168GLY     HN 2375   1.316   0.820   0.213
  168GLY     CA 2376   1.225   0.633   0.184
  168GLY    HA1 2377   1.213   0.591   0.086
  168GLY    HA2 2378   1.137   0.687   0.216
  168GLY      C 2379   1.242   0.517   0.278
  168GLY      O 2380   1.198   0.406   0.248
  169THR      N 2381   1.310   0.537   0.392
  169THR     HN 2382   1.347   0.627   0.414
  169THR     CA 2383   1.336   0.429   0.487
  169THR     HA 2384   1.337   0.336   0.432
  169THR     CB 2385   1.470   0.440   0.561
  169THR     HB 2386   1.490   0.345   0.617
  169THR    OG1 2387   1.475   0.547   0.655
  169THR    HG1 2388   1.393   0.540   0.707
  169THR    CG2 2389   1.583   0.459   0.459
  169THR   HG21 2390   1.569   0.553   0.402
  169THR   HG22 2391   1.584   0.374   0.388
  169THR   HG23 2392   1.681   0.465   0.511
  169THR      C 2393   1.226   0.418   0.591
  169THR      O 2394   1.156   0.516   0.621
  170GLY      N 2395   1.214   0.300   0.654
  170GLY     HN 2396   1.261   0.219   0.617
  170GLY     CA 2397   1.136   0.282   0.775
  170GLY    HA1 2398   1.119   0.377   0.823
  170GLY    HA2 2399   1.191   0.213   0.839
  170GLY      C 2400   1.003   0.221   0.750
  170GLY      O 2401   0.918   0.221   0.839
  171TYR      N 2402   0.981   0.165   0.630
  171TYR     HN 2403   1.051   0.165   0.560
  171TYR     CA 2404   0.855   0.104   0.592
  171TYR     HA 2405   0.779   0.180   0.607
  171TYR     CB 2406   0.854   0.067   0.441
  171TYR    HB1 2407   0.935  -0.007   0.421
  171TYR    HB2 2408   0.876   0.158   0.381
  171TYR     CG 2409   0.722   0.011   0.394
  171TYR    CD1 2410   0.605   0.090   0.392
  171TYR    HD1 2411   0.610   0.192   0.426
  171TYR    CE1 2412   0.484   0.038   0.345
  171TYR    HE1 2413   0.395   0.098   0.345
  171TYR     CZ 2414   0.479  -0.094   0.299
  171TYR     OH 2415   0.360  -0.150   0.247
  171TYR     HH 2416   0.359  -0.244   0.274
  171TYR    CD2 2417   0.713  -0.122   0.350
  171TYR    HD2 2418   0.801  -0.184   0.352
  171TYR    CE2 2419   0.592  -0.175   0.303
  171TYR    HE2 2420   0.587  -0.277   0.269
  171TYR      C 2421   0.814  -0.013   0.683
  171TYR      O 2422   0.896  -0.086   0.738
  172CYS      N 2423   0.682  -0.028   0.702
  172CYS     HN 2424   0.614   0.031   0.658
  172CYS     CA 2425   0.626  -0.135   0.779
  172CYS     HA 2426   0.679  -0.227   0.756
  172CYS     CB 2427   0.632  -0.104   0.931
  172CYS    HB1 2428   0.739  -0.097   0.957
  172CYS    HB2 2429   0.589  -0.189   0.987
  172CYS     SG 2430   0.552   0.053   0.980
  172CYS      C 2431   0.485  -0.153   0.731
  172CYS      O 2432   0.425  -0.057   0.682
  173ASP      N 2433   0.430  -0.274   0.743
  173ASP     HN 2434   0.480  -0.351   0.784
  173ASP     CA 2435   0.294  -0.304   0.704
  173ASP     HA 2436   0.231  -0.225   0.745
  173ASP     CB 2437   0.273  -0.303   0.550
  173ASP    HB1 2438   0.316  -0.212   0.506
  173ASP    HB2 2439   0.163  -0.298   0.532
  173ASP     CG 2440   0.320  -0.423   0.469
  173ASP    OD1 2441   0.288  -0.540   0.510
  173ASP    OD2 2442   0.377  -0.402   0.361
  173ASP      C 2443   0.253  -0.430   0.777
  173ASP      O 2444   0.328  -0.486   0.857
  174SER      N 2445   0.128  -0.475   0.756
  174SER     HN 2446   0.071  -0.433   0.684
  174SER     CA 2447   0.067  -0.583   0.831
  174SER     HA 2448   0.097  -0.572   0.934
  174SER     CB 2449  -0.087  -0.572   0.827
  174SER    HB1 2450  -0.116  -0.469   0.859
  174SER    HB2 2451  -0.132  -0.643   0.898
  174SER     OG 2452  -0.140  -0.595   0.696
  174SER    HG1 2453  -0.128  -0.513   0.642
  174SER      C 2454   0.109  -0.723   0.788
  174SER      O 2455   0.090  -0.821   0.862
  175GLN      N 2456   0.176  -0.737   0.672
  175GLN     HN 2457   0.191  -0.658   0.610
  175GLN     CA 2458   0.241  -0.861   0.632
  175GLN     HA 2459   0.177  -0.945   0.658
  175GLN     CB 2460   0.277  -0.863   0.480
  175GLN    HB1 2461   0.323  -0.961   0.456
  175GLN    HB2 2462   0.352  -0.784   0.459
  175GLN     CG 2463   0.159  -0.839   0.385
  175GLN    HG1 2464   0.186  -0.865   0.281
  175GLN    HG2 2465   0.133  -0.731   0.387
  175GLN     CD 2466   0.039  -0.923   0.427
  175GLN    OE1 2467   0.048  -1.046   0.420
  175GLN    NE2 2468  -0.072  -0.857   0.469
  175GLN   HE21 2469  -0.072  -0.756   0.468
  175GLN   HE22 2470  -0.154  -0.905   0.497
  175GLN      C 2471   0.372  -0.878   0.704
  175GLN      O 2472   0.433  -0.985   0.703
  176CYS      N 2473   0.419  -0.768   0.765
  176CYS     HN 2474   0.362  -0.686   0.761
  176CYS     CA 2475   0.548  -0.755   0.827
  176CYS     HA 2476   0.554  -0.652   0.859
  176CYS     CB 2477   0.559  -0.840   0.956
  176CYS    HB1 2478   0.655  -0.817   1.005
  176CYS    HB2 2479   0.558  -0.948   0.929
  176CYS     SG 2480   0.421  -0.809   1.071
  176CYS      C 2481   0.665  -0.779   0.732
  176CYS      O 2482   0.749  -0.865   0.760
  177PRO      N 2483   0.674  -0.706   0.619
  177PRO     CD 2484   0.601  -0.582   0.595
  177PRO    HD1 2485   0.575  -0.526   0.687
  177PRO    HD2 2486   0.508  -0.609   0.540
  177PRO     CA 2487   0.758  -0.737   0.504
  177PRO     HA 2488   0.716  -0.825   0.458
  177PRO     CB 2489   0.745  -0.615   0.411
  177PRO    HB1 2490   0.666  -0.637   0.335
  177PRO    HB2 2491   0.838  -0.587   0.358
  177PRO     CG 2492   0.693  -0.504   0.503
  177PRO    HG1 2493   0.776  -0.461   0.562
  177PRO    HG2 2494   0.639  -0.424   0.448
  177PRO      C 2495   0.902  -0.772   0.535
  177PRO      O 2496   0.974  -0.696   0.599
  178ARG      N 2497   0.946  -0.889   0.484
  178ARG     HN 2498   0.883  -0.946   0.433
  178ARG     CA 2499   1.080  -0.940   0.504
  178ARG     HA 2500   1.128  -0.887   0.585
  178ARG     CB 2501   1.076  -1.092   0.535
  178ARG    HB1 2502   1.180  -1.132   0.539
  178ARG    HB2 2503   1.023  -1.142   0.452
  178ARG     CG 2504   1.006  -1.131   0.667
  178ARG    HG1 2505   0.910  -1.077   0.676
  178ARG    HG2 2506   1.069  -1.099   0.754
  178ARG     CD 2507   0.975  -1.281   0.679
  178ARG    HD1 2508   0.908  -1.312   0.595
  178ARG    HD2 2509   0.924  -1.303   0.776
  178ARG     NE 2510   1.100  -1.361   0.673
  178ARG     HE 2511   1.190  -1.312   0.662
  178ARG     CZ 2512   1.109  -1.491   0.679
  178ARG    NH1 2513   0.994  -1.568   0.691
  178ARG   HH11 2514   0.909  -1.521   0.691
  178ARG   HH12 2515   0.999  -1.666   0.693
  178ARG    NH2 2516   1.219  -1.553   0.675
  178ARG   HH21 2517   1.303  -1.494   0.659
  178ARG   HH22 2518   1.223  -1.651   0.683
  178ARG      C 2519   1.164  -0.921   0.379
  178ARG      O 2520   1.278  -0.964   0.373
  179ASP      N 2521   1.110  -0.853   0.275
  179ASP     HN 2522   1.018  -0.814   0.278
  179ASP     CA 2523   1.181  -0.830   0.152
  179ASP     HA 2524   1.256  -0.906   0.138
  179ASP     CB 2525   1.082  -0.839   0.030
  179ASP    HB1 2526   1.031  -0.937   0.032
  179ASP    HB2 2527   1.142  -0.833  -0.063
  179ASP     CG 2528   0.976  -0.730   0.023
  179ASP    OD1 2529   0.964  -0.647   0.115
  179ASP    OD2 2530   0.901  -0.729  -0.080
  179ASP      C 2531   1.254  -0.696   0.157
  179ASP      O 2532   1.333  -0.661   0.070
  180LEU      N 2533   1.230  -0.617   0.264
  180LEU     HN 2534   1.159  -0.644   0.329
  180LEU     CA 2535   1.297  -0.492   0.288
  180LEU     HA 2536   1.285  -0.433   0.198
  180LEU     CB 2537   1.237  -0.411   0.405
  180LEU    HB1 2538   1.284  -0.310   0.408
  180LEU    HB2 2539   1.260  -0.462   0.501
  180LEU     CG 2540   1.084  -0.392   0.398
  180LEU     HG 2541   1.037  -0.493   0.406
  180LEU    CD1 2542   1.036  -0.309   0.518
  180LEU   HD11 2543   1.082  -0.208   0.518
  180LEU   HD12 2544   1.064  -0.360   0.613
  180LEU   HD13 2545   0.926  -0.298   0.516
  180LEU    CD2 2546   1.038  -0.329   0.266
  180LEU   HD21 2547   1.071  -0.391   0.179
  180LEU   HD22 2548   1.078  -0.226   0.255
  180LEU   HD23 2549   0.927  -0.326   0.262
  180LEU      C 2550   1.446  -0.511   0.309
  180LEU      O 2551   1.492  -0.593   0.387
  181LYS      N 2552   1.526  -0.432   0.235
  181LYS     HN 2553   1.486  -0.368   0.170
  181LYS     CA 2554   1.669  -0.448   0.238
  181LYS     HA 2555   1.691  -0.554   0.248
  181LYS     CB 2556   1.729  -0.403   0.103
  181LYS    HB1 2557   1.838  -0.386   0.111
  181LYS    HB2 2558   1.681  -0.306   0.076
  181LYS     CG 2559   1.704  -0.507  -0.007
  181LYS    HG1 2560   1.596  -0.532  -0.013
  181LYS    HG2 2561   1.757  -0.602   0.021
  181LYS     CD 2562   1.753  -0.464  -0.146
  181LYS    HD1 2563   1.743  -0.553  -0.212
  181LYS    HD2 2564   1.861  -0.438  -0.139
  181LYS     CE 2565   1.673  -0.348  -0.206
  181LYS    HE1 2566   1.687  -0.255  -0.147
  181LYS    HE2 2567   1.564  -0.374  -0.208
  181LYS     NZ 2568   1.714  -0.319  -0.345
  181LYS    HZ1 2569   1.706  -0.403  -0.405
  181LYS    HZ2 2570   1.811  -0.284  -0.346
  181LYS    HZ3 2571   1.651  -0.245  -0.386
  181LYS      C 2572   1.737  -0.384   0.358
  181LYS      O 2573   1.845  -0.424   0.398
  182PHE      N 2574   1.669  -0.286   0.421
  182PHE     HN 2575   1.579  -0.259   0.389
  182PHE     CA 2576   1.717  -0.225   0.543
  182PHE     HA 2577   1.789  -0.290   0.589
  182PHE     CB 2578   1.780  -0.084   0.523
  182PHE    HB1 2579   1.805  -0.038   0.620
  182PHE    HB2 2580   1.709  -0.018   0.469
  182PHE     CG 2581   1.907  -0.095   0.443
  182PHE    CD1 2582   2.030  -0.119   0.507
  182PHE    HD1 2583   2.032  -0.130   0.615
  182PHE    CE1 2584   2.148  -0.131   0.434
  182PHE    HE1 2585   2.241  -0.152   0.484
  182PHE     CZ 2586   2.145  -0.117   0.294
  182PHE     HZ 2587   2.237  -0.127   0.237
  182PHE    CD2 2588   1.906  -0.078   0.304
  182PHE    HD2 2589   1.813  -0.058   0.254
  182PHE    CE2 2590   2.024  -0.090   0.229
  182PHE    HE2 2591   2.021  -0.078   0.122
  182PHE      C 2592   1.604  -0.214   0.643
  182PHE      O 2593   1.500  -0.152   0.615
  183ILE      N 2594   1.621  -0.272   0.762
  183ILE     HN 2595   1.709  -0.317   0.783
  183ILE     CA 2596   1.523  -0.273   0.870
  183ILE     HA 2597   1.448  -0.198   0.850
  183ILE     CB 2598   1.451  -0.407   0.887
  183ILE     HB 2599   1.526  -0.487   0.910
  183ILE    CG2 2600   1.350  -0.398   1.004
  183ILE   HG21 2601   1.275  -0.318   0.985
  183ILE   HG22 2602   1.400  -0.377   1.101
  183ILE   HG23 2603   1.295  -0.494   1.016
  183ILE    CG1 2604   1.379  -0.450   0.756
  183ILE   HG11 2605   1.452  -0.449   0.671
  183ILE   HG12 2606   1.300  -0.375   0.732
  183ILE     CD 2607   1.318  -0.590   0.761
  183ILE    HD1 2608   1.237  -0.596   0.836
  183ILE    HD2 2609   1.395  -0.666   0.786
  183ILE    HD3 2610   1.274  -0.618   0.662
  183ILE      C 2611   1.598  -0.235   0.997
  183ILE      O 2612   1.701  -0.292   1.030
  184ASN      N 2613   1.549  -0.131   1.069
  184ASN     HN 2614   1.464  -0.089   1.041
  184ASN     CA 2615   1.606  -0.084   1.195
  184ASN     HA 2616   1.548   0.003   1.222
  184ASN     CB 2617   1.595  -0.185   1.313
  184ASN    HB1 2618   1.652  -0.149   1.401
  184ASN    HB2 2619   1.637  -0.284   1.283
  184ASN     CG 2620   1.450  -0.201   1.354
  184ASN    OD1 2621   1.355  -0.166   1.286
  184ASN    ND2 2622   1.432  -0.254   1.478
  184ASN   HD21 2623   1.337  -0.268   1.505
  184ASN   HD22 2624   1.512  -0.284   1.529
  184ASN      C 2625   1.748  -0.030   1.185
  184ASN      O 2626   1.829  -0.038   1.276
  185GLY      N 2627   1.779   0.031   1.068
  185GLY     HN 2628   1.712   0.028   0.996
  185GLY     CA 2629   1.909   0.090   1.040
  185GLY    HA1 2630   1.939   0.152   1.123
  185GLY    HA2 2631   1.901   0.145   0.947
  185GLY      C 2632   2.019  -0.011   1.020
  185GLY      O 2633   2.135   0.020   1.029
  186GLN      N 2634   1.979  -0.137   0.991
  186GLN     HN 2635   1.882  -0.160   0.987
  186GLN     CA 2636   2.067  -0.247   0.966
  186GLN     HA 2637   2.169  -0.214   0.955
  186GLN     CB 2638   2.057  -0.356   1.076
  186GLN    HB1 2639   2.137  -0.431   1.055
  186GLN    HB2 2640   1.958  -0.407   1.069
  186GLN     CG 2641   2.076  -0.303   1.219
  186GLN    HG1 2642   1.993  -0.237   1.249
  186GLN    HG2 2643   2.171  -0.245   1.226
  186GLN     CD 2644   2.086  -0.419   1.318
  186GLN    OE1 2645   2.189  -0.439   1.383
  186GLN    NE2 2646   1.978  -0.499   1.330
  186GLN   HE21 2647   1.985  -0.577   1.392
  186GLN   HE22 2648   1.898  -0.481   1.274
  186GLN      C 2649   2.020  -0.308   0.836
  186GLN      O 2650   1.907  -0.280   0.792
  187ALA      N 2651   2.102  -0.389   0.770
  187ALA     HN 2652   2.194  -0.411   0.805
  187ALA     CA 2653   2.059  -0.461   0.652
  187ALA     HA 2654   1.993  -0.397   0.595
  187ALA     CB 2655   2.179  -0.497   0.563
  187ALA    HB1 2656   2.247  -0.567   0.614
  187ALA    HB2 2657   2.235  -0.404   0.539
  187ALA    HB3 2658   2.146  -0.542   0.466
  187ALA      C 2659   1.981  -0.586   0.689
  187ALA      O 2660   1.964  -0.618   0.806
  188ASN      N 2661   1.929  -0.656   0.587
  188ASN     HN 2662   1.937  -0.621   0.495
  188ASN     CA 2663   1.851  -0.777   0.605
  188ASN     HA 2664   1.847  -0.803   0.711
  188ASN     CB 2665   1.709  -0.752   0.549
  188ASN    HB1 2666   1.707  -0.761   0.439
  188ASN    HB2 2667   1.679  -0.648   0.576
  188ASN     CG 2668   1.605  -0.845   0.612
  188ASN    OD1 2669   1.632  -0.923   0.704
  188ASN    ND2 2670   1.480  -0.837   0.561
  188ASN   HD21 2671   1.408  -0.891   0.603
  188ASN   HD22 2672   1.462  -0.771   0.487
  188ASN      C 2673   1.922  -0.892   0.535
  188ASN      O 2674   1.862  -0.993   0.498
  189VAL      N 2675   2.054  -0.878   0.512
  189VAL     HN 2676   2.099  -0.798   0.549
  189VAL     CA 2677   2.140  -0.975   0.444
  189VAL     HA 2678   2.093  -0.995   0.349
  189VAL     CB 2679   2.279  -0.918   0.415
  189VAL     HB 2680   2.266  -0.829   0.349
  189VAL    CG1 2681   2.351  -0.871   0.544
  189VAL   HG11 2682   2.364  -0.955   0.615
  189VAL   HG12 2683   2.295  -0.791   0.595
  189VAL   HG13 2684   2.452  -0.833   0.520
  189VAL    CG2 2685   2.365  -1.021   0.339
  189VAL   HG21 2686   2.309  -1.064   0.254
  189VAL   HG22 2687   2.395  -1.105   0.406
  189VAL   HG23 2688   2.458  -0.973   0.301
  189VAL      C 2689   2.146  -1.109   0.514
  189VAL      O 2690   2.147  -1.215   0.449
  190GLU      N 2691   2.148  -1.113   0.649
  190GLU     HN 2692   2.146  -1.027   0.702
  190GLU     CA 2693   2.143  -1.236   0.724
  190GLU     HA 2694   2.222  -1.299   0.685
  190GLU     CB 2695   2.170  -1.216   0.874
  190GLU    HB1 2696   2.153  -1.312   0.929
  190GLU    HB2 2697   2.096  -1.143   0.913
  190GLU     CG 2698   2.314  -1.169   0.905
  190GLU    HG1 2699   2.338  -1.080   0.844
  190GLU    HG2 2700   2.385  -1.250   0.879
  190GLU     CD 2701   2.331  -1.131   1.052
  190GLU    OE1 2702   2.289  -1.211   1.140
  190GLU    OE2 2703   2.384  -1.020   1.078
  190GLU      C 2704   2.015  -1.314   0.706
  190GLU      O 2705   1.903  -1.267   0.739
  191GLY      N 2706   2.023  -1.436   0.654
  191GLY     HN 2707   2.114  -1.468   0.623
  191GLY     CA 2708   1.908  -1.521   0.627
  191GLY    HA1 2709   1.836  -1.510   0.707
  191GLY    HA2 2710   1.944  -1.621   0.615
  191GLY      C 2711   1.837  -1.486   0.500
  191GLY      O 2712   1.717  -1.513   0.487
  192TRP      N 2713   1.909  -1.428   0.403
  192TRP     HN 2714   2.006  -1.407   0.416
  192TRP     CA 2715   1.853  -1.387   0.276
  192TRP     HA 2716   1.752  -1.354   0.294
  192TRP     CB 2717   1.933  -1.267   0.218
  192TRP    HB1 2718   2.037  -1.300   0.198
  192TRP    HB2 2719   1.938  -1.190   0.299
  192TRP     CG 2720   1.876  -1.202   0.096
  192TRP    CD1 2721   1.905  -1.232  -0.035
  192TRP    HD1 2722   1.971  -1.313  -0.065
  192TRP    NE1 2723   1.835  -1.149  -0.118
  192TRP    HE1 2724   1.835  -1.151  -0.217
  192TRP    CE2 2725   1.758  -1.064  -0.044
  192TRP    CD2 2726   1.782  -1.094   0.093
  192TRP    CE3 2727   1.717  -1.019   0.191
  192TRP    HE3 2728   1.733  -1.040   0.296
  192TRP    CZ3 2729   1.628  -0.918   0.153
  192TRP    HZ3 2730   1.574  -0.862   0.228
  192TRP    CZ2 2731   1.671  -0.963  -0.082
  192TRP    HZ2 2732   1.651  -0.943  -0.186
  192TRP    CH2 2733   1.605  -0.891   0.018
  192TRP    HH2 2734   1.533  -0.814  -0.009
  192TRP      C 2735   1.847  -1.501   0.176
  192TRP      O 2736   1.946  -1.561   0.139
  193GLU      N 2737   1.723  -1.529   0.129
  193GLU     HN 2738   1.645  -1.479   0.165
  193GLU     CA 2739   1.697  -1.627   0.026
  193GLU     HA 2740   1.786  -1.684   0.003
  193GLU     CB 2741   1.588  -1.728   0.071
  193GLU    HB1 2742   1.552  -1.787  -0.016
  193GLU    HB2 2743   1.502  -1.670   0.111
  193GLU     CG 2744   1.635  -1.827   0.181
  193GLU    HG1 2745   1.548  -1.886   0.215
  193GLU    HG2 2746   1.677  -1.770   0.267
  193GLU     CD 2747   1.741  -1.928   0.136
  193GLU    OE1 2748   1.720  -1.990   0.026
  193GLU    OE2 2749   1.835  -1.953   0.213
  193GLU      C 2750   1.649  -1.553  -0.096
  193GLU      O 2751   1.539  -1.490  -0.088
  194PRO      N 2752   1.717  -1.546  -0.208
  194PRO     CD 2753   1.856  -1.594  -0.222
  194PRO    HD1 2754   1.852  -1.705  -0.233
  194PRO    HD2 2755   1.918  -1.565  -0.135
  194PRO     CA 2756   1.666  -1.498  -0.335
  194PRO     HA 2757   1.649  -1.391  -0.323
  194PRO     CB 2758   1.777  -1.528  -0.436
  194PRO    HB1 2759   1.782  -1.452  -0.516
  194PRO    HB2 2760   1.763  -1.628  -0.482
  194PRO     CG 2761   1.904  -1.530  -0.351
  194PRO    HG1 2762   1.986  -1.586  -0.400
  194PRO    HG2 2763   1.936  -1.425  -0.331
  194PRO      C 2764   1.531  -1.556  -0.377
  194PRO      O 2765   1.507  -1.677  -0.362
  195SER      N 2766   1.441  -1.472  -0.429
  195SER     HN 2767   1.457  -1.373  -0.434
  195SER     CA 2768   1.317  -1.517  -0.490
  195SER     HA 2769   1.269  -1.583  -0.420
  195SER     CB 2770   1.218  -1.402  -0.520
  195SER    HB1 2771   1.127  -1.440  -0.572
  195SER    HB2 2772   1.268  -1.326  -0.584
  195SER     OG 2773   1.177  -1.343  -0.397
  195SER    HG1 2774   1.152  -1.251  -0.418
  195SER      C 2775   1.341  -1.596  -0.617
  195SER      O 2776   1.431  -1.570  -0.695
  196SER      N 2777   1.257  -1.699  -0.640
  196SER     HN 2778   1.184  -1.722  -0.576
  196SER     CA 2779   1.281  -1.794  -0.748
  196SER     HA 2780   1.387  -1.803  -0.766
  196SER     CB 2781   1.224  -1.933  -0.711
  196SER    HB1 2782   1.247  -2.007  -0.790
  196SER    HB2 2783   1.113  -1.927  -0.701
  196SER     OG 2784   1.279  -1.978  -0.586
  196SER    HG1 2785   1.374  -1.988  -0.600
  196SER      C 2786   1.215  -1.751  -0.877
  196SER      O 2787   1.247  -1.802  -0.984
  197ASN      N 2788   1.122  -1.654  -0.869
  197ASN     HN 2789   1.096  -1.614  -0.781
  197ASN     CA 2790   1.045  -1.605  -0.982
  197ASN     HA 2791   1.078  -1.653  -1.073
  197ASN     CB 2792   0.894  -1.634  -0.960
  197ASN    HB1 2793   0.883  -1.743  -0.945
  197ASN    HB2 2794   0.837  -1.604  -1.051
  197ASN     CG 2795   0.830  -1.567  -0.838
  197ASN    OD1 2796   0.899  -1.523  -0.743
  197ASN    ND2 2797   0.696  -1.559  -0.837
  197ASN   HD21 2798   0.648  -1.519  -0.759
  197ASN   HD22 2799   0.644  -1.589  -0.918
  197ASN      C 2800   1.066  -1.456  -1.003
  197ASN      O 2801   1.002  -1.398  -1.090
  198ASN      N 2802   1.153  -1.391  -0.925
  198ASN     HN 2803   1.210  -1.440  -0.859
  198ASN     CA 2804   1.173  -1.249  -0.933
  198ASN     HA 2805   1.146  -1.214  -1.032
  198ASN     CB 2806   1.086  -1.175  -0.827
  198ASN    HB1 2807   1.121  -1.203  -0.725
  198ASN    HB2 2808   0.982  -1.212  -0.838
  198ASN     CG 2809   1.088  -1.022  -0.837
  198ASN    OD1 2810   1.184  -0.961  -0.887
  198ASN    ND2 2811   0.979  -0.957  -0.790
  198ASN   HD21 2812   0.973  -0.859  -0.805
  198ASN   HD22 2813   0.898  -1.009  -0.765
  198ASN      C 2814   1.322  -1.225  -0.916
  198ASN      O 2815   1.388  -1.280  -0.831
  199ALA      N 2816   1.377  -1.140  -1.004
  199ALA     HN 2817   1.317  -1.092  -1.068
  199ALA     CA 2818   1.519  -1.119  -1.017
  199ALA     HA 2819   1.572  -1.205  -0.979
  199ALA     CB 2820   1.549  -1.098  -1.166
  199ALA    HB1 2821   1.494  -1.010  -1.204
  199ALA    HB2 2822   1.517  -1.187  -1.223
  199ALA    HB3 2823   1.658  -1.082  -1.184
  199ALA      C 2824   1.566  -0.998  -0.939
  199ALA      O 2825   1.683  -0.961  -0.947
  200ASN      N 2826   1.476  -0.933  -0.862
  200ASN     HN 2827   1.380  -0.962  -0.863
  200ASN     CA 2828   1.510  -0.815  -0.785
  200ASN     HA 2829   1.617  -0.801  -0.783
  200ASN     CB 2830   1.440  -0.691  -0.846
  200ASN    HB1 2831   1.455  -0.601  -0.783
  200ASN    HB2 2832   1.331  -0.709  -0.857
  200ASN     CG 2833   1.496  -0.661  -0.984
  200ASN    OD1 2834   1.428  -0.664  -1.087
  200ASN    ND2 2835   1.627  -0.629  -0.990
  200ASN   HD21 2836   1.660  -0.605  -1.082
  200ASN   HD22 2837   1.685  -0.644  -0.911
  200ASN      C 2838   1.471  -0.827  -0.638
  200ASN      O 2839   1.494  -0.735  -0.561
  201THR      N 2840   1.416  -0.943  -0.594
  201THR     HN 2841   1.406  -1.022  -0.653
  201THR     CA 2842   1.365  -0.959  -0.458
  201THR     HA 2843   1.402  -0.878  -0.396
  201THR     CB 2844   1.212  -0.961  -0.444
  201THR     HB 2845   1.183  -0.967  -0.336
  201THR    OG1 2846   1.150  -1.069  -0.513
  201THR    HG1 2847   1.056  -1.053  -0.501
  201THR    CG2 2848   1.155  -0.830  -0.500
  201THR   HG21 2849   1.180  -0.816  -0.607
  201THR   HG22 2850   1.196  -0.745  -0.442
  201THR   HG23 2851   1.044  -0.826  -0.490
  201THR      C 2852   1.419  -1.085  -0.396
  201THR      O 2853   1.462  -1.179  -0.463
  202GLY      N 2854   1.417  -1.088  -0.262
  202GLY     HN 2855   1.383  -1.011  -0.208
  202GLY     CA 2856   1.443  -1.206  -0.184
  202GLY    HA1 2857   1.549  -1.213  -0.164
  202GLY    HA2 2858   1.400  -1.293  -0.232
  202GLY      C 2859   1.372  -1.187  -0.056
  202GLY      O 2860   1.300  -1.088  -0.038
  203ILE      N 2861   1.389  -1.281   0.036
  203ILE     HN 2862   1.447  -1.361   0.015
  203ILE     CA 2863   1.327  -1.279   0.167
  203ILE     HA 2864   1.277  -1.184   0.184
  203ILE     CB 2865   1.225  -1.392   0.184
  203ILE     HB 2866   1.275  -1.488   0.157
  203ILE    CG2 2867   1.177  -1.401   0.331
  203ILE   HG21 2868   1.131  -1.306   0.362
  203ILE   HG22 2869   1.261  -1.425   0.400
  203ILE   HG23 2870   1.102  -1.482   0.343
  203ILE    CG1 2871   1.107  -1.371   0.086
  203ILE   HG11 2872   1.146  -1.361  -0.017
  203ILE   HG12 2873   1.058  -1.274   0.112
  203ILE     CD 2874   1.003  -1.484   0.088
  203ILE    HD1 2875   0.952  -1.490   0.187
  203ILE    HD2 2876   1.052  -1.582   0.068
  203ILE    HD3 2877   0.925  -1.467   0.011
  203ILE      C 2878   1.439  -1.289   0.267
  203ILE      O 2879   1.514  -1.386   0.268
  204GLY      N 2880   1.455  -1.186   0.353
  204GLY     HN 2881   1.395  -1.106   0.347
  204GLY     CA 2882   1.553  -1.185   0.460
  204GLY    HA1 2883   1.576  -1.082   0.481
  204GLY    HA2 2884   1.642  -1.238   0.428
  204GLY      C 2885   1.508  -1.248   0.588
  204GLY      O 2886   1.400  -1.312   0.599
  205GLY      N 2887   1.589  -1.233   0.693
  205GLY     HN 2888   1.674  -1.180   0.683
  205GLY     CA 2889   1.564  -1.293   0.824
  205GLY    HA1 2890   1.660  -1.299   0.874
  205GLY    HA2 2891   1.518  -1.389   0.810
  205GLY      C 2892   1.475  -1.211   0.912
  205GLY      O 2893   1.411  -1.265   1.003
  206HSD      N 2894   1.469  -1.079   0.891
  206HSD     HN 2895   1.522  -1.038   0.817
  206HSD     CA 2896   1.389  -0.988   0.970
  206HSD     HA 2897   1.348  -1.038   1.057
  206HSD     CB 2898   1.470  -0.865   1.016
  206HSD    HB1 2899   1.407  -0.797   1.077
  206HSD    HB2 2900   1.505  -0.809   0.926
  206HSD    ND1 2901   1.710  -0.832   1.092
  206HSD    HD1 2902   1.730  -0.754   1.033
  206HSD     CG 2903   1.592  -0.901   1.097
  206HSD    CE1 2904   1.798  -0.896   1.174
  206HSD    HE1 2905   1.899  -0.861   1.194
  206HSD    NE2 2906   1.744  -1.003   1.229
  206HSD    CD2 2907   1.613  -1.005   1.183
  206HSD    HD2 2908   1.544  -1.081   1.217
  206HSD      C 2909   1.273  -0.937   0.888
  206HSD      O 2910   1.279  -0.933   0.765
  207GLY      N 2911   1.164  -0.896   0.956
  207GLY     HN 2912   1.162  -0.906   1.056
  207GLY     CA 2913   1.050  -0.829   0.896
  207GLY    HA1 2914   0.964  -0.893   0.905
  207GLY    HA2 2915   1.072  -0.801   0.794
  207GLY      C 2916   1.022  -0.701   0.971
  207GLY      O 2917   1.087  -0.670   1.069
  208SER      N 2918   0.922  -0.624   0.924
  208SER     HN 2919   0.871  -0.651   0.843
  208SER     CA 2920   0.890  -0.495   0.986
  208SER     HA 2921   0.929  -0.492   1.087
  208SER     CB 2922   0.952  -0.380   0.903
  208SER    HB1 2923   0.903  -0.375   0.803
  208SER    HB2 2924   1.059  -0.406   0.886
  208SER     OG 2925   0.948  -0.252   0.966
  208SER    HG1 2926   0.939  -0.189   0.892
  208SER      C 2927   0.740  -0.480   0.998
  208SER      O 2928   0.671  -0.447   0.900
  209CYS      N 2929   0.683  -0.503   1.117
  209CYS     HN 2930   0.741  -0.519   1.197
  209CYS     CA 2931   0.540  -0.498   1.143
  209CYS     HA 2932   0.485  -0.530   1.055
  209CYS     CB 2933   0.500  -0.585   1.266
  209CYS    HB1 2934   0.395  -0.563   1.296
  209CYS    HB2 2935   0.564  -0.555   1.352
  209CYS     SG 2936   0.512  -0.765   1.247
  209CYS      C 2937   0.496  -0.357   1.179
  209CYS      O 2938   0.565  -0.287   1.251
  210CYS      N 2939   0.376  -0.315   1.132
  210CYS     HN 2940   0.326  -0.366   1.061
  210CYS     CA 2941   0.301  -0.208   1.196
  210CYS     HA 2942   0.300  -0.229   1.302
  210CYS     CB 2943   0.357  -0.064   1.176
  210CYS    HB1 2944   0.461  -0.064   1.215
  210CYS    HB2 2945   0.300   0.007   1.240
  210CYS     SG 2946   0.359  -0.001   1.006
  210CYS      C 2947   0.157  -0.213   1.152
  210CYS      O 2948   0.122  -0.283   1.057
  211SER      N 2949   0.068  -0.141   1.223
  211SER     HN 2950   0.101  -0.085   1.299
  211SER     CA 2951  -0.072  -0.126   1.186
  211SER     HA 2952  -0.115  -0.225   1.177
  211SER     CB 2953  -0.154  -0.046   1.291
  211SER    HB1 2954  -0.261  -0.038   1.260
  211SER    HB2 2955  -0.112   0.057   1.299
  211SER     OG 2956  -0.148  -0.109   1.419
  211SER    HG1 2957  -0.054  -0.115   1.439
  211SER      C 2958  -0.094  -0.056   1.053
  211SER      O 2959  -0.018   0.034   1.016
  212GLU      N 2960  -0.200  -0.095   0.980
  212GLU     HN 2961  -0.264  -0.164   1.013
  212GLU     CA 2962  -0.220  -0.056   0.843
  212GLU     HA 2963  -0.169   0.038   0.824
  212GLU     CB 2964  -0.159  -0.163   0.749
  212GLU    HB1 2965  -0.192  -0.264   0.783
  212GLU    HB2 2966  -0.049  -0.159   0.762
  212GLU     CG 2967  -0.193  -0.152   0.599
  212GLU    HG1 2968  -0.180  -0.048   0.562
  212GLU    HG2 2969  -0.297  -0.184   0.576
  212GLU     CD 2970  -0.098  -0.243   0.521
  212GLU    OE1 2971  -0.087  -0.364   0.557
  212GLU    OE2 2972  -0.028  -0.190   0.431
  212GLU      C 2973  -0.366  -0.032   0.813
  212GLU      O 2974  -0.455  -0.100   0.865
  213MET      N 2975  -0.395   0.071   0.732
  213MET     HN 2976  -0.319   0.123   0.691
  213MET     CA 2977  -0.528   0.101   0.687
  213MET     HA 2978  -0.598   0.024   0.718
  213MET     CB 2979  -0.572   0.241   0.737
  213MET    HB1 2980  -0.505   0.318   0.695
  213MET    HB2 2981  -0.558   0.247   0.847
  213MET     CG 2982  -0.718   0.278   0.701
  213MET    HG1 2983  -0.728   0.282   0.591
  213MET    HG2 2984  -0.736   0.381   0.739
  213MET     SD 2985  -0.841   0.165   0.771
  213MET     CE 2986  -0.922   0.121   0.616
  213MET    HE1 2987  -0.854   0.060   0.553
  213MET    HE2 2988  -0.952   0.211   0.558
  213MET    HE3 2989  -1.013   0.059   0.634
  213MET      C 2990  -0.527   0.105   0.536
  213MET      O 2991  -0.484   0.204   0.477
  214ASP      N 2992  -0.583   0.003   0.469
  214ASP     HN 2993  -0.618  -0.080   0.513
  214ASP     CA 2994  -0.603   0.006   0.326
  214ASP     HA 2995  -0.522   0.062   0.280
  214ASP     CB 2996  -0.610  -0.134   0.263
  214ASP    HB1 2997  -0.666  -0.133   0.166
  214ASP    HB2 2998  -0.658  -0.207   0.331
  214ASP     CG 2999  -0.471  -0.180   0.227
  214ASP    OD1 3000  -0.408  -0.106   0.146
  214ASP    OD2 3001  -0.431  -0.289   0.269
  214ASP      C 3002  -0.729   0.081   0.295
  214ASP      O 3003  -0.842   0.031   0.305
  215ILE      N 3004  -0.715   0.209   0.259
  215ILE     HN 3005  -0.623   0.247   0.256
  215ILE     CA 3006  -0.823   0.289   0.205
  215ILE     HA 3007  -0.906   0.285   0.275
  215ILE     CB 3008  -0.780   0.434   0.182
  215ILE     HB 3009  -0.698   0.435   0.106
  215ILE    CG2 3010  -0.897   0.517   0.123
  215ILE   HG21 3011  -0.986   0.507   0.189
  215ILE   HG22 3012  -0.924   0.481   0.022
  215ILE   HG23 3013  -0.867   0.623   0.116
  215ILE    CG1 3014  -0.721   0.500   0.309
  215ILE   HG11 3015  -0.676   0.597   0.277
  215ILE   HG12 3016  -0.637   0.438   0.348
  215ILE     CD 3017  -0.823   0.526   0.420
  215ILE    HD1 3018  -0.874   0.431   0.448
  215ILE    HD2 3019  -0.900   0.599   0.388
  215ILE    HD3 3020  -0.771   0.565   0.510
  215ILE      C 3021  -0.873   0.232   0.073
  215ILE      O 3022  -0.991   0.224   0.046
  216TRP      N 3023  -0.775   0.194  -0.011
  216TRP     HN 3024  -0.679   0.197   0.015
  216TRP     CA 3025  -0.803   0.156  -0.147
  216TRP     HA 3026  -0.901   0.112  -0.154
  216TRP     CB 3027  -0.787   0.283  -0.234
  216TRP    HB1 3028  -0.681   0.317  -0.229
  216TRP    HB2 3029  -0.847   0.362  -0.185
  216TRP     CG 3030  -0.830   0.275  -0.377
  216TRP    CD1 3031  -0.750   0.287  -0.488
  216TRP    HD1 3032  -0.642   0.287  -0.486
  216TRP    NE1 3033  -0.829   0.287  -0.601
  216TRP    HE1 3034  -0.798   0.276  -0.693
  216TRP    CE2 3035  -0.960   0.272  -0.565
  216TRP    CD2 3036  -0.965   0.263  -0.424
  216TRP    CE3 3037  -1.087   0.245  -0.360
  216TRP    HE3 3038  -1.093   0.233  -0.253
  216TRP    CZ3 3039  -1.202   0.234  -0.438
  216TRP    HZ3 3040  -1.297   0.212  -0.390
  216TRP    CZ2 3041  -1.075   0.263  -0.642
  216TRP    HZ2 3042  -1.071   0.266  -0.750
  216TRP    CH2 3043  -1.196   0.243  -0.577
  216TRP    HH2 3044  -1.287   0.229  -0.634
  216TRP      C 3045  -0.700   0.055  -0.190
  216TRP      O 3046  -0.581   0.078  -0.181
  217GLU      N 3047  -0.750  -0.057  -0.244
  217GLU     HN 3048  -0.848  -0.075  -0.243
  217GLU     CA 3049  -0.672  -0.149  -0.321
  217GLU     HA 3050  -0.581  -0.105  -0.358
  217GLU     CB 3051  -0.646  -0.280  -0.244
  217GLU    HB1 3052  -0.604  -0.356  -0.313
  217GLU    HB2 3053  -0.743  -0.319  -0.206
  217GLU     CG 3054  -0.552  -0.261  -0.124
  217GLU    HG1 3055  -0.596  -0.193  -0.047
  217GLU    HG2 3056  -0.454  -0.217  -0.154
  217GLU     CD 3057  -0.529  -0.394  -0.062
  217GLU    OE1 3058  -0.615  -0.459   0.007
  217GLU    OE2 3059  -0.407  -0.450  -0.087
  217GLU    HE2 3060  -0.393  -0.518  -0.022
  217GLU      C 3061  -0.763  -0.180  -0.435
  217GLU      O 3062  -0.873  -0.228  -0.414
  218ALA      N 3063  -0.724  -0.148  -0.559
  218ALA     HN 3064  -0.634  -0.110  -0.579
  218ALA     CA 3065  -0.817  -0.167  -0.667
  218ALA     HA 3066  -0.866  -0.263  -0.653
  218ALA     CB 3067  -0.924  -0.055  -0.672
  218ALA    HB1 3068  -0.878   0.041  -0.700
  218ALA    HB2 3069  -0.972  -0.044  -0.573
  218ALA    HB3 3070  -1.003  -0.080  -0.745
  218ALA      C 3071  -0.750  -0.174  -0.801
  218ALA      O 3072  -0.638  -0.127  -0.825
  219ASN      N 3073  -0.824  -0.233  -0.894
  219ASN     HN 3074  -0.911  -0.275  -0.867
  219ASN     CA 3075  -0.798  -0.225  -1.035
  219ASN     HA 3076  -0.734  -0.140  -1.054
  219ASN     CB 3077  -0.727  -0.353  -1.089
  219ASN    HB1 3078  -0.626  -0.354  -1.043
  219ASN    HB2 3079  -0.714  -0.349  -1.198
  219ASN     CG 3080  -0.799  -0.484  -1.054
  219ASN    OD1 3081  -0.920  -0.489  -1.039
  219ASN    ND2 3082  -0.718  -0.594  -1.044
  219ASN   HD21 3083  -0.756  -0.684  -1.025
  219ASN   HD22 3084  -0.619  -0.581  -1.046
  219ASN      C 3085  -0.932  -0.190  -1.097
  219ASN      O 3086  -1.022  -0.138  -1.031
  220SER      N 3087  -0.949  -0.214  -1.228
  220SER     HN 3088  -0.875  -0.250  -1.284
  220SER     CA 3089  -1.076  -0.185  -1.293
  220SER     HA 3090  -1.112  -0.091  -1.254
  220SER     CB 3091  -1.063  -0.170  -1.447
  220SER    HB1 3092  -0.990  -0.088  -1.467
  220SER    HB2 3093  -1.160  -0.139  -1.491
  220SER     OG 3094  -1.016  -0.288  -1.512
  220SER    HG1 3095  -0.925  -0.300  -1.482
  220SER      C 3096  -1.185  -0.287  -1.264
  220SER      O 3097  -1.302  -0.261  -1.294
  221ILE      N 3098  -1.150  -0.404  -1.206
  221ILE     HN 3099  -1.056  -0.420  -1.176
  221ILE     CA 3100  -1.242  -0.514  -1.186
  221ILE     HA 3101  -1.328  -0.502  -1.250
  221ILE     CB 3102  -1.174  -0.647  -1.221
  221ILE     HB 3103  -1.085  -0.662  -1.154
  221ILE    CG2 3104  -1.271  -0.766  -1.195
  221ILE   HG21 3105  -1.367  -0.749  -1.246
  221ILE   HG22 3106  -1.290  -0.778  -1.086
  221ILE   HG23 3107  -1.226  -0.860  -1.232
  221ILE    CG1 3108  -1.121  -0.647  -1.367
  221ILE   HG11 3109  -1.077  -0.747  -1.387
  221ILE   HG12 3110  -1.039  -0.573  -1.376
  221ILE     CD 3111  -1.227  -0.618  -1.474
  221ILE    HD1 3112  -1.270  -0.517  -1.459
  221ILE    HD2 3113  -1.309  -0.693  -1.469
  221ILE    HD3 3114  -1.181  -0.622  -1.575
  221ILE      C 3115  -1.298  -0.516  -1.045
  221ILE      O 3116  -1.418  -0.527  -1.026
  222SER      N 3117  -1.211  -0.500  -0.942
  222SER     HN 3118  -1.113  -0.485  -0.959
  222SER     CA 3119  -1.252  -0.510  -0.803
  222SER     HA 3120  -1.357  -0.487  -0.795
  222SER     CB 3121  -1.227  -0.651  -0.742
  222SER    HB1 3122  -1.255  -0.652  -0.634
  222SER    HB2 3123  -1.120  -0.677  -0.750
  222SER     OG 3124  -1.306  -0.752  -0.806
  222SER    HG1 3125  -1.313  -0.825  -0.742
  222SER      C 3126  -1.180  -0.408  -0.718
  222SER      O 3127  -1.081  -0.347  -0.762
  223GLU      N 3128  -1.231  -0.384  -0.596
  223GLU     HN 3129  -1.310  -0.434  -0.560
  223GLU     CA 3130  -1.177  -0.289  -0.501
  223GLU     HA 3131  -1.070  -0.286  -0.514
  223GLU     CB 3132  -1.236  -0.146  -0.517
  223GLU    HB1 3133  -1.211  -0.116  -0.622
  223GLU    HB2 3134  -1.183  -0.074  -0.450
  223GLU     CG 3135  -1.391  -0.132  -0.501
  223GLU    HG1 3136  -1.439  -0.231  -0.512
  223GLU    HG2 3137  -1.426  -0.069  -0.585
  223GLU     CD 3138  -1.446  -0.064  -0.375
  223GLU    OE1 3139  -1.368  -0.014  -0.287
  223GLU    OE2 3140  -1.569  -0.050  -0.366
  223GLU      C 3141  -1.203  -0.341  -0.361
  223GLU      O 3142  -1.288  -0.428  -0.341
  224ALA      N 3143  -1.126  -0.293  -0.261
  224ALA     HN 3144  -1.055  -0.225  -0.279
  224ALA     CA 3145  -1.139  -0.336  -0.124
  224ALA     HA 3146  -1.243  -0.359  -0.105
  224ALA     CB 3147  -1.053  -0.462  -0.096
  224ALA    HB1 3148  -0.945  -0.441  -0.112
  224ALA    HB2 3149  -1.084  -0.544  -0.164
  224ALA    HB3 3150  -1.067  -0.497   0.009
  224ALA      C 3151  -1.101  -0.224  -0.028
  224ALA      O 3152  -1.028  -0.130  -0.062
  225LEU      N 3153  -1.156  -0.231   0.094
  225LEU     HN 3154  -1.217  -0.308   0.114
  225LEU     CA 3155  -1.133  -0.140   0.204
  225LEU     HA 3156  -1.045  -0.080   0.186
  225LEU     CB 3157  -1.260  -0.051   0.223
  225LEU    HB1 3158  -1.348  -0.120   0.214
  225LEU    HB2 3159  -1.265   0.019   0.137
  225LEU     CG 3160  -1.276   0.027   0.356
  225LEU     HG 3161  -1.271  -0.046   0.440
  225LEU    CD1 3162  -1.166   0.131   0.376
  225LEU   HD11 3163  -1.166   0.206   0.294
  225LEU   HD12 3164  -1.066   0.081   0.376
  225LEU   HD13 3165  -1.178   0.183   0.473
  225LEU    CD2 3166  -1.414   0.094   0.363
  225LEU   HD21 3167  -1.494   0.016   0.355
  225LEU   HD22 3168  -1.426   0.166   0.280
  225LEU   HD23 3169  -1.427   0.146   0.460
  225LEU      C 3170  -1.107  -0.223   0.328
  225LEU      O 3171  -1.197  -0.294   0.374
  226THR      N 3172  -0.985  -0.218   0.384
  226THR     HN 3173  -0.914  -0.159   0.347
  226THR     CA 3174  -0.942  -0.317   0.483
  226THR     HA 3175  -1.028  -0.371   0.521
  226THR     CB 3176  -0.849  -0.423   0.424
  226THR     HB 3177  -0.745  -0.385   0.409
  226THR    OG1 3178  -0.896  -0.469   0.298
  226THR    HG1 3179  -0.824  -0.523   0.263
  226THR    CG2 3180  -0.845  -0.544   0.518
  226THR   HG21 3181  -0.946  -0.585   0.536
  226THR   HG22 3182  -0.798  -0.517   0.614
  226THR   HG23 3183  -0.783  -0.625   0.473
  226THR      C 3184  -0.870  -0.251   0.600
  226THR      O 3185  -0.763  -0.188   0.579
  227PRO      N 3186  -0.914  -0.257   0.724
  227PRO     CD 3187  -1.057  -0.266   0.758
  227PRO    HD1 3188  -1.097  -0.365   0.729
  227PRO    HD2 3189  -1.112  -0.185   0.706
  227PRO     CA 3190  -0.832  -0.221   0.839
  227PRO     HA 3191  -0.758  -0.146   0.813
  227PRO     CB 3192  -0.934  -0.171   0.943
  227PRO    HB1 3193  -0.951  -0.063   0.926
  227PRO    HB2 3194  -0.900  -0.186   1.047
  227PRO     CG 3195  -1.063  -0.248   0.910
  227PRO    HG1 3196  -1.060  -0.348   0.959
  227PRO    HG2 3197  -1.153  -0.193   0.943
  227PRO      C 3198  -0.757  -0.343   0.891
  227PRO      O 3199  -0.813  -0.453   0.895
  228HSD      N 3200  -0.631  -0.325   0.936
  228HSD     HN 3201  -0.586  -0.236   0.927
  228HSD     CA 3202  -0.549  -0.431   0.990
  228HSD     HA 3203  -0.605  -0.524   0.995
  228HSD     CB 3204  -0.426  -0.458   0.900
  228HSD    HB1 3205  -0.357  -0.531   0.948
  228HSD    HB2 3206  -0.371  -0.364   0.881
  228HSD    ND1 3207  -0.461  -0.649   0.739
  228HSD    HD1 3208  -0.425  -0.721   0.798
  228HSD     CG 3209  -0.468  -0.515   0.769
  228HSD    CE1 3210  -0.493  -0.661   0.608
  228HSD    HE1 3211  -0.493  -0.756   0.554
  228HSD    NE2 3212  -0.520  -0.545   0.554
  228HSD    CD2 3213  -0.501  -0.452   0.654
  228HSD    HD2 3214  -0.512  -0.346   0.631
  228HSD      C 3215  -0.495  -0.394   1.128
  228HSD      O 3216  -0.414  -0.301   1.139
  229PRO      N 3217  -0.533  -0.460   1.236
  229PRO     CD 3218  -0.654  -0.543   1.245
  229PRO    HD1 3219  -0.647  -0.631   1.177
  229PRO    HD2 3220  -0.742  -0.481   1.218
  229PRO     CA 3221  -0.476  -0.433   1.367
  229PRO     HA 3222  -0.449  -0.329   1.376
  229PRO     CB 3223  -0.587  -0.476   1.465
  229PRO    HB1 3224  -0.656  -0.390   1.481
  229PRO    HB2 3225  -0.549  -0.509   1.564
  229PRO     CG 3226  -0.662  -0.587   1.391
  229PRO    HG1 3227  -0.607  -0.683   1.401
  229PRO    HG2 3228  -0.766  -0.601   1.426
  229PRO      C 3229  -0.351  -0.515   1.388
  229PRO      O 3230  -0.333  -0.623   1.331
  230CYS      N 3231  -0.261  -0.465   1.472
  230CYS     HN 3232  -0.275  -0.376   1.514
  230CYS     CA 3233  -0.145  -0.539   1.515
  230CYS     HA 3234  -0.159  -0.645   1.497
  230CYS     CB 3235  -0.014  -0.488   1.450
  230CYS    HB1 3236   0.072  -0.548   1.486
  230CYS    HB2 3237   0.003  -0.382   1.480
  230CYS     SG 3238  -0.019  -0.491   1.269
  230CYS      C 3239  -0.138  -0.518   1.664
  230CYS      O 3240  -0.186  -0.417   1.717
  231THR      N 3241  -0.079  -0.613   1.738
  231THR     HN 3242  -0.042  -0.696   1.695
  231THR     CA 3243  -0.064  -0.602   1.883
  231THR     HA 3244  -0.163  -0.586   1.923
  231THR     CB 3245  -0.010  -0.729   1.947
  231THR     HB 3246  -0.002  -0.718   2.058
  231THR    OG1 3247   0.116  -0.766   1.894
  231THR    HG1 3248   0.181  -0.701   1.922
  231THR    CG2 3249  -0.108  -0.845   1.917
  231THR   HG21 3250  -0.112  -0.866   1.808
  231THR   HG22 3251  -0.210  -0.820   1.952
  231THR   HG23 3252  -0.074  -0.937   1.969
  231THR      C 3253   0.019  -0.482   1.925
  231THR      O 3254  -0.013  -0.408   2.019
  232THR      N 3255   0.127  -0.456   1.848
  232THR     HN 3256   0.145  -0.514   1.769
  232THR     CA 3257   0.213  -0.340   1.861
  232THR     HA 3258   0.196  -0.292   1.956
  232THR     CB 3259   0.362  -0.373   1.851
  232THR     HB 3260   0.384  -0.425   1.755
  232THR    OG1 3261   0.400  -0.457   1.959
  232THR    HG1 3262   0.486  -0.498   1.930
  232THR    CG2 3263   0.447  -0.245   1.863
  232THR   HG21 3264   0.424  -0.191   1.957
  232THR   HG22 3265   0.431  -0.178   1.776
  232THR   HG23 3266   0.554  -0.273   1.865
  232THR      C 3267   0.173  -0.246   1.750
  232THR      O 3268   0.177  -0.280   1.632
  233VAL      N 3269   0.123  -0.126   1.786
  233VAL     HN 3270   0.121  -0.101   1.882
  233VAL     CA 3271   0.065  -0.031   1.692
  233VAL     HA 3272  -0.013  -0.082   1.638
  233VAL     CB 3273   0.001   0.086   1.768
  233VAL     HB 3274   0.076   0.131   1.837
  233VAL    CG1 3275  -0.050   0.197   1.673
  233VAL   HG11 3276  -0.116   0.152   1.595
  233VAL   HG12 3277   0.033   0.249   1.621
  233VAL   HG13 3278  -0.109   0.273   1.729
  233VAL    CG2 3279  -0.118   0.031   1.850
  233VAL   HG21 3280  -0.087  -0.048   1.920
  233VAL   HG22 3281  -0.194  -0.013   1.781
  233VAL   HG23 3282  -0.167   0.113   1.907
  233VAL      C 3283   0.162   0.021   1.587
  233VAL      O 3284   0.129   0.026   1.468
  234GLY      N 3285   0.284   0.059   1.628
  234GLY     HN 3286   0.313   0.038   1.722
  234GLY     CA 3287   0.383   0.121   1.542
  234GLY    HA1 3288   0.437   0.190   1.602
  234GLY    HA2 3289   0.335   0.168   1.457
  234GLY      C 3290   0.484   0.025   1.490
  234GLY      O 3291   0.473  -0.095   1.507
  235GLN      N 3292   0.590   0.080   1.427
  235GLN     HN 3293   0.593   0.178   1.410
  235GLN     CA 3294   0.698   0.004   1.369
  235GLN     HA 3295   0.655  -0.063   1.297
  235GLN     CB 3296   0.792   0.101   1.292
  235GLN    HB1 3297   0.843   0.171   1.362
  235GLN    HB2 3298   0.725   0.163   1.227
  235GLN     CG 3299   0.896   0.035   1.197
  235GLN    HG1 3300   0.931   0.112   1.125
  235GLN    HG2 3301   0.844  -0.044   1.139
  235GLN     CD 3302   1.020  -0.023   1.267
  235GLN    OE1 3303   1.085   0.038   1.352
  235GLN    NE2 3304   1.058  -0.145   1.224
  235GLN   HE21 3305   1.144  -0.183   1.263
  235GLN   HE22 3306   1.008  -0.192   1.153
  235GLN      C 3307   0.774  -0.081   1.471
  235GLN      O 3308   0.817  -0.036   1.576
  236GLU      N 3309   0.788  -0.212   1.438
  236GLU     HN 3310   0.746  -0.246   1.354
  236GLU     CA 3311   0.844  -0.312   1.525
  236GLU     HA 3312   0.916  -0.266   1.590
  236GLU     CB 3313   0.731  -0.381   1.608
  236GLU    HB1 3314   0.655  -0.421   1.536
  236GLU    HB2 3315   0.680  -0.301   1.667
  236GLU     CG 3316   0.775  -0.495   1.702
  236GLU    HG1 3317   0.849  -0.458   1.776
  236GLU    HG2 3318   0.820  -0.578   1.645
  236GLU     CD 3319   0.659  -0.555   1.782
  236GLU    OE1 3320   0.566  -0.614   1.720
  236GLU    OE2 3321   0.661  -0.544   1.907
  236GLU      C 3322   0.917  -0.412   1.438
  236GLU      O 3323   0.873  -0.446   1.327
  237ILE      N 3324   1.034  -0.461   1.482
  237ILE     HN 3325   1.068  -0.439   1.573
  237ILE     CA 3326   1.107  -0.565   1.412
  237ILE     HA 3327   1.083  -0.560   1.306
  237ILE     CB 3328   1.258  -0.550   1.426
  237ILE     HB 3329   1.280  -0.444   1.400
  237ILE    CG2 3330   1.303  -0.578   1.571
  237ILE   HG21 3331   1.293  -0.687   1.594
  237ILE   HG22 3332   1.242  -0.522   1.645
  237ILE   HG23 3333   1.410  -0.551   1.585
  237ILE    CG1 3334   1.337  -0.636   1.323
  237ILE   HG11 3335   1.289  -0.623   1.223
  237ILE   HG12 3336   1.329  -0.744   1.350
  237ILE     CD 3337   1.485  -0.597   1.312
  237ILE    HD1 3338   1.538  -0.619   1.407
  237ILE    HD2 3339   1.496  -0.489   1.288
  237ILE    HD3 3340   1.533  -0.656   1.232
  237ILE      C 3341   1.061  -0.701   1.461
  237ILE      O 3342   1.021  -0.718   1.577
  238CYS      N 3343   1.064  -0.801   1.373
  238CYS     HN 3344   1.101  -0.788   1.282
  238CYS     CA 3345   1.015  -0.934   1.403
  238CYS     HA 3346   1.022  -0.953   1.508
  238CYS     CB 3347   0.868  -0.954   1.359
  238CYS    HB1 3348   0.803  -0.908   1.437
  238CYS    HB2 3349   0.842  -1.062   1.355
  238CYS     SG 3350   0.832  -0.873   1.200
  238CYS    HG1 3351   0.845  -0.749   1.247
  238CYS      C 3352   1.107  -1.033   1.336
  238CYS      O 3353   1.184  -0.999   1.248
  239GLU      N 3354   1.101  -1.161   1.383
  239GLU     HN 3355   1.032  -1.189   1.449
  239GLU     CA 3356   1.204  -1.258   1.354
  239GLU     HA 3357   1.285  -1.212   1.299
  239GLU     CB 3358   1.260  -1.318   1.486
  239GLU    HB1 3359   1.340  -1.389   1.458
  239GLU    HB2 3360   1.179  -1.374   1.539
  239GLU     CG 3361   1.320  -1.216   1.585
  239GLU    HG1 3362   1.364  -1.270   1.672
  239GLU    HG2 3363   1.242  -1.146   1.623
  239GLU     CD 3364   1.433  -1.134   1.523
  239GLU    OE1 3365   1.531  -1.199   1.481
  239GLU    OE2 3366   1.424  -1.008   1.527
  239GLU      C 3367   1.152  -1.373   1.271
  239GLU      O 3368   1.051  -1.438   1.306
  240GLY      N 3369   1.222  -1.409   1.162
  240GLY     HN 3370   1.297  -1.349   1.131
  240GLY     CA 3371   1.198  -1.528   1.079
  240GLY    HA1 3372   1.228  -1.613   1.138
  240GLY    HA2 3373   1.258  -1.515   0.990
  240GLY      C 3374   1.056  -1.550   1.035
  240GLY      O 3375   0.987  -1.459   0.992
  241ASP      N 3376   1.004  -1.673   1.048
  241ASP     HN 3377   1.061  -1.751   1.072
  241ASP     CA 3378   0.868  -1.706   1.009
  241ASP     HA 3379   0.837  -1.640   0.929
  241ASP     CB 3380   0.860  -1.852   0.960
  241ASP    HB1 3381   0.757  -1.877   0.929
  241ASP    HB2 3382   0.890  -1.923   1.041
  241ASP     CG 3383   0.955  -1.874   0.842
  241ASP    OD1 3384   0.908  -1.861   0.722
  241ASP    OD2 3385   1.074  -1.891   0.863
  241ASP      C 3386   0.772  -1.679   1.126
  241ASP      O 3387   0.653  -1.714   1.124
  242GLY      N 3388   0.821  -1.610   1.231
  242GLY     HN 3389   0.918  -1.583   1.230
  242GLY     CA 3390   0.743  -1.551   1.338
  242GLY    HA1 3391   0.808  -1.536   1.422
  242GLY    HA2 3392   0.658  -1.615   1.360
  242GLY      C 3393   0.691  -1.416   1.300
  242GLY      O 3394   0.605  -1.361   1.370
  243CYS      N 3395   0.743  -1.357   1.190
  243CYS     HN 3396   0.818  -1.402   1.142
  243CYS     CA 3397   0.693  -1.236   1.127
  243CYS     HA 3398   0.693  -1.157   1.201
  243CYS     CB 3399   0.779  -1.194   1.005
  243CYS    HB1 3400   0.736  -1.102   0.959
  243CYS    HB2 3401   0.774  -1.274   0.928
  243CYS     SG 3402   0.953  -1.162   1.048
  243CYS    HG1 3403   0.986  -1.288   1.071
  243CYS      C 3404   0.550  -1.250   1.079
  243CYS      O 3405   0.468  -1.161   1.097
  244GLY      N 3406   0.518  -1.366   1.019
  244GLY     HN 3407   0.588  -1.437   1.009
  244GLY     CA 3408   0.391  -1.391   0.952
  244GLY    HA1 3409   0.311  -1.356   1.015
  244GLY    HA2 3410   0.387  -1.497   0.932
  244GLY      C 3411   0.379  -1.324   0.819
  244GLY      O 3412   0.478  -1.294   0.752
  245GLY      N 3413   0.253  -1.307   0.775
  245GLY     HN 3414   0.178  -1.341   0.832
  245GLY     CA 3415   0.215  -1.250   0.647
  245GLY    HA1 3416   0.258  -1.151   0.642
  245GLY    HA2 3417   0.107  -1.249   0.642
  245GLY      C 3418   0.264  -1.326   0.527
  245GLY      O 3419   0.295  -1.446   0.531
  246THR      N 3420   0.267  -1.257   0.414
  246THR     HN 3421   0.235  -1.161   0.418
  246THR     CA 3422   0.297  -1.309   0.280
  246THR     HA 3423   0.224  -1.385   0.258
  246THR     CB 3424   0.283  -1.199   0.177
  246THR     HB 3425   0.348  -1.112   0.203
  246THR    OG1 3426   0.147  -1.158   0.175
  246THR    HG1 3427   0.131  -1.100   0.251
  246THR    CG2 3428   0.318  -1.246   0.035
  246THR   HG21 3429   0.257  -1.334   0.007
  246THR   HG22 3430   0.426  -1.271   0.024
  246THR   HG23 3431   0.297  -1.164  -0.038
  246THR      C 3432   0.431  -1.376   0.268
  246THR      O 3433   0.447  -1.479   0.201
  247TYR      N 3434   0.533  -1.321   0.336
  247TYR     HN 3435   0.515  -1.242   0.394
  247TYR     CA 3436   0.671  -1.360   0.322
  247TYR     HA 3437   0.687  -1.403   0.223
  247TYR     CB 3438   0.763  -1.237   0.339
  247TYR    HB1 3439   0.870  -1.265   0.324
  247TYR    HB2 3440   0.752  -1.193   0.441
  247TYR     CG 3441   0.729  -1.131   0.237
  247TYR    CD1 3442   0.780  -1.142   0.107
  247TYR    HD1 3443   0.841  -1.227   0.080
  247TYR    CE1 3444   0.753  -1.044   0.010
  247TYR    HE1 3445   0.794  -1.053  -0.089
  247TYR     CZ 3446   0.673  -0.935   0.043
  247TYR     OH 3447   0.654  -0.837  -0.056
  247TYR     HH 3448   0.743  -0.802  -0.078
  247TYR    CD2 3449   0.648  -1.020   0.269
  247TYR    HD2 3450   0.608  -1.010   0.369
  247TYR    CE2 3451   0.619  -0.923   0.172
  247TYR    HE2 3452   0.557  -0.837   0.196
  247TYR      C 3453   0.714  -1.467   0.422
  247TYR      O 3454   0.831  -1.492   0.440
  248SER      N 3455   0.617  -1.533   0.490
  248SER     HN 3456   0.520  -1.511   0.477
  248SER     CA 3457   0.647  -1.641   0.584
  248SER     HA 3458   0.750  -1.672   0.572
  248SER     CB 3459   0.624  -1.600   0.732
  248SER    HB1 3460   0.653  -1.683   0.800
  248SER    HB2 3461   0.516  -1.577   0.748
  248SER     OG 3462   0.702  -1.484   0.763
  248SER    HG1 3463   0.648  -1.408   0.732
  248SER      C 3464   0.564  -1.763   0.556
  248SER      O 3465   0.455  -1.755   0.495
  249ASP      N 3466   0.610  -1.883   0.595
  249ASP     HN 3467   0.699  -1.891   0.643
  249ASP     CA 3468   0.539  -2.009   0.572
  249ASP     HA 3469   0.515  -2.009   0.467
  249ASP     CB 3470   0.630  -2.134   0.597
  249ASP    HB1 3471   0.729  -2.115   0.550
  249ASP    HB2 3472   0.584  -2.220   0.545
  249ASP     CG 3473   0.654  -2.178   0.742
  249ASP    OD1 3474   0.650  -2.094   0.833
  249ASP    OD2 3475   0.689  -2.299   0.757
  249ASP      C 3476   0.406  -2.017   0.646
  249ASP      O 3477   0.304  -2.067   0.593
  250ASN      N 3478   0.402  -1.966   0.768
  250ASN     HN 3479   0.490  -1.937   0.807
  250ASN     CA 3480   0.285  -1.954   0.851
  250ASN     HA 3481   0.206  -2.014   0.810
  250ASN     CB 3482   0.317  -2.002   0.995
  250ASN    HB1 3483   0.403  -1.944   1.034
  250ASN    HB2 3484   0.347  -2.109   0.991
  250ASN     CG 3485   0.197  -1.987   1.087
  250ASN    OD1 3486   0.084  -1.968   1.044
  250ASN    ND2 3487   0.222  -1.992   1.220
  250ASN   HD21 3488   0.143  -1.975   1.280
  250ASN   HD22 3489   0.316  -1.996   1.251
  250ASN      C 3490   0.241  -1.809   0.848
  250ASN      O 3491   0.299  -1.722   0.909
  251ARG      N 3492   0.131  -1.783   0.773
  251ARG     HN 3493   0.084  -1.858   0.729
  251ARG     CA 3494   0.078  -1.650   0.749
  251ARG     HA 3495   0.159  -1.590   0.710
  251ARG     CB 3496  -0.032  -1.659   0.641
  251ARG    HB1 3497  -0.112  -1.729   0.675
  251ARG    HB2 3498   0.017  -1.703   0.550
  251ARG     CG 3499  -0.096  -1.525   0.601
  251ARG    HG1 3500  -0.015  -1.451   0.583
  251ARG    HG2 3501  -0.157  -1.487   0.687
  251ARG     CD 3502  -0.187  -1.532   0.477
  251ARG    HD1 3503  -0.275  -1.597   0.498
  251ARG    HD2 3504  -0.131  -1.576   0.391
  251ARG     NE 3505  -0.234  -1.395   0.445
  251ARG     HE 3506  -0.325  -1.361   0.482
  251ARG     CZ 3507  -0.176  -1.308   0.363
  251ARG    NH1 3508  -0.065  -1.340   0.295
  251ARG   HH11 3509  -0.025  -1.427   0.308
  251ARG   HH12 3510  -0.025  -1.268   0.237
  251ARG    NH2 3511  -0.227  -1.191   0.347
  251ARG   HH21 3512  -0.308  -1.165   0.402
  251ARG   HH22 3513  -0.184  -1.122   0.288
  251ARG      C 3514   0.030  -1.579   0.875
  251ARG      O 3515   0.052  -1.461   0.895
  252TYR      N 3516  -0.033  -1.654   0.967
  252TYR     HN 3517  -0.043  -1.752   0.955
  252TYR     CA 3518  -0.103  -1.597   1.082
  252TYR     HA 3519  -0.120  -1.491   1.066
  252TYR     CB 3520  -0.240  -1.667   1.101
  252TYR    HB1 3521  -0.301  -1.615   1.178
  252TYR    HB2 3522  -0.227  -1.773   1.132
  252TYR     CG 3523  -0.316  -1.664   0.971
  252TYR    CD1 3524  -0.380  -1.546   0.931
  252TYR    HD1 3525  -0.377  -1.458   0.993
  252TYR    CE1 3526  -0.451  -1.542   0.810
  252TYR    HE1 3527  -0.502  -1.450   0.782
  252TYR     CZ 3528  -0.459  -1.655   0.729
  252TYR     OH 3529  -0.534  -1.650   0.609
  252TYR     HH 3530  -0.569  -1.558   0.599
  252TYR    CD2 3531  -0.323  -1.777   0.888
  252TYR    HD2 3532  -0.273  -1.868   0.918
  252TYR    CE2 3533  -0.393  -1.773   0.767
  252TYR    HE2 3534  -0.399  -1.860   0.703
  252TYR      C 3535  -0.019  -1.611   1.207
  252TYR      O 3536  -0.068  -1.602   1.321
  253GLY      N 3537   0.112  -1.635   1.190
  253GLY     HN 3538   0.146  -1.643   1.096
  253GLY     CA 3539   0.207  -1.653   1.299
  253GLY    HA1 3540   0.299  -1.691   1.255
  253GLY    HA2 3541   0.165  -1.720   1.372
  253GLY      C 3542   0.244  -1.525   1.370
  253GLY      O 3543   0.283  -1.528   1.487
  254GLY      N 3544   0.235  -1.411   1.299
  254GLY     HN 3545   0.195  -1.413   1.207
  254GLY     CA 3546   0.284  -1.282   1.344
  254GLY    HA1 3547   0.292  -1.220   1.256
  254GLY    HA2 3548   0.379  -1.298   1.392
  254GLY      C 3549   0.201  -1.207   1.443
  254GLY      O 3550   0.094  -1.248   1.489
  255THR      N 3551   0.253  -1.088   1.480
  255THR     HN 3552   0.341  -1.057   1.444
  255THR     CA 3553   0.192  -0.992   1.571
  255THR     HA 3554   0.141  -1.046   1.649
  255THR     CB 3555   0.293  -0.897   1.635
  255THR     HB 3556   0.250  -0.797   1.660
  255THR    OG1 3557   0.408  -0.879   1.553
  255THR    HG1 3558   0.453  -0.799   1.586
  255THR    CG2 3559   0.343  -0.960   1.766
  255THR   HG21 3560   0.385  -1.061   1.747
  255THR   HG22 3561   0.259  -0.970   1.838
  255THR   HG23 3562   0.421  -0.896   1.812
  255THR      C 3563   0.086  -0.909   1.501
  255THR      O 3564  -0.003  -0.853   1.566
  256CYS      N 3565   0.093  -0.901   1.368
  256CYS     HN 3566   0.167  -0.947   1.319
  256CYS     CA 3567  -0.007  -0.836   1.285
  256CYS     HA 3568  -0.063  -0.766   1.344
  256CYS     CB 3569   0.057  -0.761   1.166
  256CYS    HB1 3570  -0.019  -0.735   1.089
  256CYS    HB2 3571   0.131  -0.828   1.116
  256CYS     SG 3572   0.138  -0.607   1.215
  256CYS      C 3573  -0.107  -0.935   1.231
  256CYS      O 3574  -0.082  -1.055   1.223
  257ASP      N 3575  -0.225  -0.884   1.195
  257ASP     HN 3576  -0.247  -0.787   1.207
  257ASP     CA 3577  -0.326  -0.955   1.120
  257ASP     HA 3578  -0.320  -1.061   1.140
  257ASP     CB 3579  -0.463  -0.904   1.168
  257ASP    HB1 3580  -0.461  -0.792   1.168
  257ASP    HB2 3581  -0.485  -0.938   1.271
  257ASP     CG 3582  -0.579  -0.944   1.079
  257ASP    OD1 3583  -0.570  -1.052   1.011
  257ASP    OD2 3584  -0.680  -0.874   1.084
  257ASP      C 3585  -0.302  -0.924   0.972
  257ASP      O 3586  -0.303  -0.807   0.938
  258PRO      N 3587  -0.281  -1.020   0.882
  258PRO     CD 3588  -0.249  -1.158   0.917
  258PRO    HD1 3589  -0.340  -1.210   0.955
  258PRO    HD2 3590  -0.168  -1.160   0.994
  258PRO     CA 3591  -0.239  -0.986   0.747
  258PRO     HA 3592  -0.195  -0.887   0.741
  258PRO     CB 3593  -0.140  -1.099   0.714
  258PRO    HB1 3594  -0.041  -1.072   0.754
  258PRO    HB2 3595  -0.130  -1.117   0.604
  258PRO     CG 3596  -0.197  -1.220   0.788
  258PRO    HG1 3597  -0.283  -1.263   0.730
  258PRO    HG2 3598  -0.122  -1.299   0.805
  258PRO      C 3599  -0.356  -0.991   0.652
  258PRO      O 3600  -0.336  -0.962   0.534
  259ASP      N 3601  -0.477  -1.031   0.697
  259ASP     HN 3602  -0.491  -1.055   0.793
  259ASP     CA 3603  -0.591  -1.044   0.609
  259ASP     HA 3604  -0.561  -1.037   0.505
  259ASP     CB 3605  -0.664  -1.180   0.631
  259ASP    HB1 3606  -0.763  -1.177   0.580
  259ASP    HB2 3607  -0.682  -1.195   0.739
  259ASP     CG 3608  -0.587  -1.300   0.576
  259ASP    OD1 3609  -0.470  -1.288   0.530
  259ASP    OD2 3610  -0.643  -1.414   0.581
  259ASP      C 3611  -0.685  -0.926   0.631
  259ASP      O 3612  -0.737  -0.869   0.535
  260GLY      N 3613  -0.702  -0.881   0.758
  260GLY     HN 3614  -0.658  -0.927   0.835
  260GLY     CA 3615  -0.794  -0.775   0.795
  260GLY    HA1 3616  -0.771  -0.688   0.737
  260GLY    HA2 3617  -0.782  -0.757   0.900
  260GLY      C 3618  -0.940  -0.807   0.775
  260GLY      O 3619  -0.980  -0.919   0.743
  261CYS      N 3620  -1.026  -0.707   0.798
  261CYS     HN 3621  -0.990  -0.618   0.823
  261CYS     CA 3622  -1.171  -0.719   0.783
  261CYS     HA 3623  -1.201  -0.823   0.775
  261CYS     CB 3624  -1.240  -0.654   0.907
  261CYS    HB1 3625  -1.199  -0.552   0.920
  261CYS    HB2 3626  -1.209  -0.714   0.995
  261CYS     SG 3627  -1.421  -0.645   0.903
  261CYS      C 3628  -1.208  -0.651   0.653
  261CYS      O 3629  -1.255  -0.538   0.652
  262ASP      N 3630  -1.177  -0.717   0.539
  262ASP     HN 3631  -1.147  -0.812   0.538
  262ASP     CA 3632  -1.191  -0.658   0.408
  262ASP     HA 3633  -1.153  -0.557   0.417
  262ASP     CB 3634  -1.102  -0.725   0.298
  262ASP    HB1 3635  -0.998  -0.725   0.337
  262ASP    HB2 3636  -1.103  -0.662   0.206
  262ASP     CG 3637  -1.134  -0.869   0.260
  262ASP    OD1 3638  -1.126  -0.957   0.347
  262ASP    OD2 3639  -1.159  -0.897   0.139
  262ASP      C 3640  -1.335  -0.640   0.364
  262ASP      O 3641  -1.421  -0.730   0.367
  263TRP      N 3642  -1.371  -0.520   0.319
  263TRP     HN 3643  -1.305  -0.444   0.324
  263TRP     CA 3644  -1.499  -0.496   0.258
  263TRP     HA 3645  -1.566  -0.580   0.274
  263TRP     CB 3646  -1.566  -0.368   0.314
  263TRP    HB1 3647  -1.505  -0.279   0.287
  263TRP    HB2 3648  -1.561  -0.379   0.425
  263TRP     CG 3649  -1.709  -0.347   0.275
  263TRP    CD1 3650  -1.761  -0.331   0.149
  263TRP    HD1 3651  -1.700  -0.327   0.059
  263TRP    NE1 3652  -1.898  -0.321   0.155
  263TRP    HE1 3653  -1.960  -0.314   0.080
  263TRP    CE2 3654  -1.938  -0.330   0.285
  263TRP    CD2 3655  -1.822  -0.344   0.365
  263TRP    CE3 3656  -1.834  -0.352   0.503
  263TRP    HE3 3657  -1.747  -0.365   0.566
  263TRP    CZ3 3658  -1.962  -0.348   0.559
  263TRP    HZ3 3659  -1.973  -0.358   0.667
  263TRP    CZ2 3660  -2.065  -0.328   0.341
  263TRP    HZ2 3661  -2.153  -0.322   0.279
  263TRP    CH2 3662  -2.076  -0.338   0.479
  263TRP    HH2 3663  -2.173  -0.341   0.526
  263TRP      C 3664  -1.475  -0.484   0.109
  263TRP      O 3665  -1.422  -0.384   0.061
  264ASN      N 3666  -1.517  -0.586   0.033
  264ASN     HN 3667  -1.555  -0.667   0.076
  264ASN     CA 3668  -1.509  -0.586  -0.112
  264ASN     HA 3669  -1.471  -0.492  -0.148
  264ASN     CB 3670  -1.408  -0.696  -0.159
  264ASN    HB1 3671  -1.432  -0.791  -0.108
  264ASN    HB2 3672  -1.307  -0.664  -0.125
  264ASN     CG 3673  -1.406  -0.723  -0.310
  264ASN    OD1 3674  -1.499  -0.701  -0.385
  264ASN    ND2 3675  -1.290  -0.779  -0.356
  264ASN   HD21 3676  -1.282  -0.796  -0.454
  264ASN   HD22 3677  -1.214  -0.794  -0.294
  264ASN      C 3678  -1.653  -0.608  -0.159
  264ASN      O 3679  -1.711  -0.711  -0.127
  265PRO      N 3680  -1.718  -0.517  -0.234
  265PRO     CD 3681  -1.673  -0.378  -0.247
  265PRO    HD1 3682  -1.603  -0.371  -0.333
  265PRO    HD2 3683  -1.621  -0.340  -0.156
  265PRO     CA 3684  -1.861  -0.530  -0.261
  265PRO     HA 3685  -1.912  -0.543  -0.167
  265PRO     CB 3686  -1.896  -0.399  -0.333
  265PRO    HB1 3687  -2.003  -0.372  -0.320
  265PRO    HB2 3688  -1.873  -0.407  -0.442
  265PRO     CG 3689  -1.801  -0.296  -0.272
  265PRO    HG1 3690  -1.781  -0.210  -0.339
  265PRO    HG2 3691  -1.840  -0.259  -0.175
  265PRO      C 3692  -1.895  -0.650  -0.349
  265PRO      O 3693  -2.003  -0.706  -0.332
  266TYR      N 3694  -1.806  -0.689  -0.442
  266TYR     HN 3695  -1.719  -0.638  -0.452
  266TYR     CA 3696  -1.822  -0.808  -0.525
  266TYR     HA 3697  -1.917  -0.799  -0.576
  266TYR     CB 3698  -1.707  -0.818  -0.629
  266TYR    HB1 3699  -1.612  -0.854  -0.582
  266TYR    HB2 3700  -1.686  -0.717  -0.668
  266TYR     CG 3701  -1.742  -0.909  -0.745
  266TYR    CD1 3702  -1.738  -1.050  -0.734
  266TYR    HD1 3703  -1.712  -1.095  -0.640
  266TYR    CE1 3704  -1.766  -1.131  -0.845
  266TYR    HE1 3705  -1.765  -1.238  -0.835
  266TYR     CZ 3706  -1.795  -1.073  -0.969
  266TYR     OH 3707  -1.820  -1.155  -1.081
  266TYR     HH 3708  -1.823  -1.245  -1.048
  266TYR    CD2 3709  -1.773  -0.853  -0.870
  266TYR    HD2 3710  -1.776  -0.746  -0.880
  266TYR    CE2 3711  -1.799  -0.934  -0.982
  266TYR    HE2 3712  -1.822  -0.889  -1.077
  266TYR      C 3713  -1.826  -0.933  -0.439
  266TYR      O 3714  -1.910  -1.021  -0.456
  267ARG      N 3715  -1.735  -0.940  -0.339
  267ARG     HN 3716  -1.675  -0.861  -0.324
  267ARG     CA 3717  -1.716  -1.053  -0.250
  267ARG     HA 3718  -1.708  -1.142  -0.309
  267ARG     CB 3719  -1.586  -1.030  -0.168
  267ARG    HB1 3720  -1.601  -0.945  -0.097
  267ARG    HB2 3721  -1.506  -1.000  -0.239
  267ARG     CG 3722  -1.536  -1.153  -0.089
  267ARG    HG1 3723  -1.519  -1.235  -0.161
  267ARG    HG2 3724  -1.615  -1.185  -0.018
  267ARG     CD 3725  -1.407  -1.126  -0.007
  267ARG    HD1 3726  -1.427  -1.050   0.072
  267ARG    HD2 3727  -1.325  -1.089  -0.073
  267ARG     NE 3728  -1.367  -1.258   0.051
  267ARG     HE 3729  -1.383  -1.342   0.002
  267ARG     CZ 3730  -1.310  -1.269   0.173
  267ARG    NH1 3731  -1.277  -1.171   0.248
  267ARG   HH11 3732  -1.240  -1.178   0.343
  267ARG   HH12 3733  -1.274  -1.073   0.222
  267ARG    NH2 3734  -1.290  -1.393   0.216
  267ARG   HH21 3735  -1.321  -1.469   0.164
  267ARG   HH22 3736  -1.247  -1.400   0.307
  267ARG      C 3737  -1.836  -1.071  -0.156
  267ARG      O 3738  -1.869  -1.181  -0.113
  268LEU      N 3739  -1.909  -0.961  -0.132
  268LEU     HN 3740  -1.878  -0.873  -0.167
  268LEU     CA 3741  -2.027  -0.958  -0.048
  268LEU     HA 3742  -2.025  -1.041   0.021
  268LEU     CB 3743  -2.028  -0.826   0.033
  268LEU    HB1 3744  -2.122  -0.816   0.090
  268LEU    HB2 3745  -2.022  -0.740  -0.038
  268LEU     CG 3746  -1.910  -0.816   0.132
  268LEU     HG 3747  -1.815  -0.837   0.079
  268LEU    CD1 3748  -1.897  -0.674   0.189
  268LEU   HD11 3749  -1.983  -0.647   0.253
  268LEU   HD12 3750  -1.889  -0.600   0.106
  268LEU   HD13 3751  -1.805  -0.665   0.250
  268LEU    CD2 3752  -1.924  -0.919   0.246
  268LEU   HD21 3753  -1.924  -1.022   0.207
  268LEU   HD22 3754  -2.017  -0.902   0.303
  268LEU   HD23 3755  -1.838  -0.910   0.316
  268LEU      C 3756  -2.155  -0.974  -0.129
  268LEU      O 3757  -2.266  -0.977  -0.078
  269GLY      N 3758  -2.141  -0.995  -0.262
  269GLY     HN 3759  -2.049  -0.986  -0.303
  269GLY     CA 3760  -2.247  -1.045  -0.348
  269GLY    HA1 3761  -2.328  -1.084  -0.288
  269GLY    HA2 3762  -2.203  -1.122  -0.411
  269GLY      C 3763  -2.308  -0.944  -0.440
  269GLY      O 3764  -2.398  -0.975  -0.516
  270ASN      N 3765  -2.261  -0.817  -0.437
  270ASN     HN 3766  -2.186  -0.792  -0.376
  270ASN     CA 3767  -2.308  -0.717  -0.530
  270ASN     HA 3768  -2.403  -0.749  -0.572
  270ASN     CB 3769  -2.332  -0.580  -0.461
  270ASN    HB1 3770  -2.234  -0.535  -0.432
  270ASN    HB2 3771  -2.391  -0.598  -0.368
  270ASN     CG 3772  -2.409  -0.484  -0.551
  270ASN    OD1 3773  -2.439  -0.510  -0.667
  270ASN    ND2 3774  -2.449  -0.368  -0.492
  270ASN   HD21 3775  -2.493  -0.300  -0.553
  270ASN   HD22 3776  -2.421  -0.349  -0.400
  270ASN      C 3777  -2.210  -0.706  -0.646
  270ASN      O 3778  -2.110  -0.635  -0.642
  271THR      N 3779  -2.240  -0.775  -0.757
  271THR     HN 3780  -2.321  -0.832  -0.762
  271THR     CA 3781  -2.145  -0.793  -0.867
  271THR     HA 3782  -2.044  -0.781  -0.831
  271THR     CB 3783  -2.160  -0.931  -0.929
  271THR     HB 3784  -2.089  -0.945  -1.014
  271THR    OG1 3785  -2.294  -0.955  -0.971
  271THR    HG1 3786  -2.312  -0.892  -1.041
  271THR    CG2 3787  -2.127  -1.036  -0.822
  271THR   HG21 3788  -2.202  -1.037  -0.741
  271THR   HG22 3789  -2.027  -1.017  -0.777
  271THR   HG23 3790  -2.126  -1.136  -0.870
  271THR      C 3791  -2.169  -0.691  -0.975
  271THR      O 3792  -2.109  -0.696  -1.084
  272SER      N 3793  -2.262  -0.597  -0.952
  272SER     HN 3794  -2.312  -0.600  -0.866
  272SER     CA 3795  -2.297  -0.494  -1.048
  272SER     HA 3796  -2.242  -0.506  -1.140
  272SER     CB 3797  -2.449  -0.496  -1.082
  272SER    HB1 3798  -2.475  -0.414  -1.151
  272SER    HB2 3799  -2.508  -0.482  -0.988
  272SER     OG 3800  -2.485  -0.621  -1.142
  272SER    HG1 3801  -2.434  -0.627  -1.224
  272SER      C 3802  -2.262  -0.357  -0.995
  272SER      O 3803  -2.286  -0.256  -1.061
  273PHE      N 3804  -2.204  -0.347  -0.873
  273PHE     HN 3805  -2.183  -0.429  -0.820
  273PHE     CA 3806  -2.165  -0.219  -0.817
  273PHE     HA 3807  -2.250  -0.153  -0.830
  273PHE     CB 3808  -2.136  -0.231  -0.665
  273PHE    HB1 3809  -2.051  -0.301  -0.646
  273PHE    HB2 3810  -2.225  -0.271  -0.613
  273PHE     CG 3811  -2.104  -0.097  -0.604
  273PHE    CD1 3812  -2.200   0.006  -0.609
  273PHE    HD1 3813  -2.296  -0.013  -0.655
  273PHE    CE1 3814  -2.172   0.132  -0.555
  273PHE    HE1 3815  -2.246   0.211  -0.560
  273PHE     CZ 3816  -2.049   0.156  -0.494
  273PHE     HZ 3817  -2.027   0.253  -0.453
  273PHE    CD2 3818  -1.980  -0.071  -0.543
  273PHE    HD2 3819  -1.905  -0.149  -0.539
  273PHE    CE2 3820  -1.952   0.054  -0.488
  273PHE    HE2 3821  -1.856   0.072  -0.442
  273PHE      C 3822  -2.049  -0.152  -0.890
  273PHE      O 3823  -2.050  -0.032  -0.918
  274TYR      N 3824  -1.945  -0.229  -0.924
  274TYR     HN 3825  -1.947  -0.328  -0.913
  274TYR     CA 3826  -1.818  -0.172  -0.962
  274TYR     HA 3827  -1.831  -0.073  -1.003
  274TYR     CB 3828  -1.726  -0.168  -0.837
  274TYR    HB1 3829  -1.714  -0.270  -0.795
  274TYR    HB2 3830  -1.776  -0.107  -0.758
  274TYR     CG 3831  -1.589  -0.111  -0.860
  274TYR    CD1 3832  -1.566   0.026  -0.839
  274TYR    HD1 3833  -1.648   0.090  -0.811
  274TYR    CE1 3834  -1.436   0.079  -0.846
  274TYR    HE1 3835  -1.419   0.184  -0.827
  274TYR     CZ 3836  -1.328  -0.005  -0.875
  274TYR     OH 3837  -1.198   0.046  -0.882
  274TYR     HH 3838  -1.139  -0.028  -0.900
  274TYR    CD2 3839  -1.479  -0.194  -0.891
  274TYR    HD2 3840  -1.494  -0.300  -0.905
  274TYR    CE2 3841  -1.350  -0.141  -0.899
  274TYR    HE2 3842  -1.266  -0.206  -0.921
  274TYR      C 3843  -1.761  -0.259  -1.071
  274TYR      O 3844  -1.764  -0.382  -1.061
  275GLY      N 3845  -1.711  -0.197  -1.179
  275GLY     HN 3846  -1.716  -0.098  -1.189
  275GLY     CA 3847  -1.655  -0.271  -1.291
  275GLY    HA1 3848  -1.710  -0.362  -1.306
  275GLY    HA2 3849  -1.550  -0.285  -1.268
  275GLY      C 3850  -1.664  -0.189  -1.418
  275GLY      O 3851  -1.712  -0.078  -1.416
  276PRO      N 3852  -1.617  -0.241  -1.531
  276PRO     CD 3853  -1.539  -0.365  -1.541
  276PRO    HD1 3854  -1.602  -0.441  -1.591
  276PRO    HD2 3855  -1.503  -0.405  -1.443
  276PRO     CA 3856  -1.594  -0.154  -1.647
  276PRO     HA 3857  -1.567  -0.055  -1.614
  276PRO     CB 3858  -1.478  -0.221  -1.724
  276PRO    HB1 3859  -1.401  -0.146  -1.752
  276PRO    HB2 3860  -1.512  -0.274  -1.815
  276PRO     CG 3861  -1.420  -0.326  -1.628
  276PRO    HG1 3862  -1.375  -0.412  -1.680
  276PRO    HG2 3863  -1.342  -0.278  -1.564
  276PRO      C 3864  -1.715  -0.144  -1.736
  276PRO      O 3865  -1.763  -0.245  -1.788
  277GLY      N 3866  -1.763  -0.021  -1.764
  277GLY     HN 3867  -1.726   0.062  -1.719
  277GLY     CA 3868  -1.875   0.002  -1.853
  277GLY    HA1 3869  -1.904  -0.090  -1.903
  277GLY    HA2 3870  -1.846   0.080  -1.922
  277GLY      C 3871  -1.995   0.051  -1.779
  277GLY      O 3872  -2.002   0.056  -1.656
  278SER      N 3873  -2.100   0.085  -1.854
  278SER     HN 3874  -2.098   0.075  -1.954
  278SER     CA 3875  -2.218   0.150  -1.800
  278SER     HA 3876  -2.191   0.208  -1.714
  278SER     CB 3877  -2.279   0.245  -1.906
  278SER    HB1 3878  -2.204   0.325  -1.925
  278SER    HB2 3879  -2.372   0.293  -1.869
  278SER     OG 3880  -2.303   0.176  -2.029
  278SER    HG1 3881  -2.379   0.119  -2.014
  278SER      C 3882  -2.323   0.049  -1.755
  278SER      O 3883  -2.439   0.081  -1.734
  279SER      N 3884  -2.280  -0.076  -1.735
  279SER     HN 3885  -2.186  -0.101  -1.758
  279SER     CA 3886  -2.357  -0.184  -1.678
  279SER     HA 3887  -2.463  -0.166  -1.692
  279SER     CB 3888  -2.316  -0.318  -1.745
  279SER    HB1 3889  -2.357  -0.319  -1.848
  279SER    HB2 3890  -2.359  -0.406  -1.691
  279SER     OG 3891  -2.174  -0.331  -1.753
  279SER    HG1 3892  -2.141  -0.359  -1.666
  279SER      C 3893  -2.333  -0.196  -1.530
  279SER      O 3894  -2.394  -0.279  -1.463
  280PHE      N 3895  -2.244  -0.109  -1.477
  280PHE     HN 3896  -2.199  -0.042  -1.535
  280PHE     CA 3897  -2.204  -0.105  -1.339
  280PHE     HA 3898  -2.258  -0.180  -1.283
  280PHE     CB 3899  -2.052  -0.127  -1.321
  280PHE    HB1 3900  -2.022  -0.119  -1.214
  280PHE    HB2 3901  -1.993  -0.051  -1.379
  280PHE     CG 3902  -2.015  -0.264  -1.371
  280PHE    CD1 3903  -2.010  -0.373  -1.283
  280PHE    HD1 3904  -2.034  -0.358  -1.179
  280PHE    CE1 3905  -1.970  -0.500  -1.327
  280PHE    HE1 3906  -1.963  -0.581  -1.257
  280PHE     CZ 3907  -1.935  -0.518  -1.462
  280PHE     HZ 3908  -1.903  -0.615  -1.496
  280PHE    CD2 3909  -1.978  -0.284  -1.505
  280PHE    HD2 3910  -1.977  -0.200  -1.573
  280PHE    CE2 3911  -1.939  -0.411  -1.551
  280PHE    HE2 3912  -1.911  -0.424  -1.654
  280PHE      C 3913  -2.243   0.029  -1.280
  280PHE      O 3914  -2.253   0.131  -1.350
  281THR      N 3915  -2.274   0.031  -1.150
  281THR     HN 3916  -2.271  -0.055  -1.097
  281THR     CA 3917  -2.312   0.150  -1.075
  281THR     HA 3918  -2.397   0.194  -1.124
  281THR     CB 3919  -2.349   0.117  -0.931
  281THR     HB 3920  -2.259   0.086  -0.873
  281THR    OG1 3921  -2.442   0.009  -0.925
  281THR    HG1 3922  -2.513   0.028  -0.989
  281THR    CG2 3923  -2.415   0.236  -0.861
  281THR   HG21 3924  -2.502   0.272  -0.919
  281THR   HG22 3925  -2.342   0.320  -0.850
  281THR   HG23 3926  -2.448   0.207  -0.759
  281THR      C 3927  -2.202   0.256  -1.075
  281THR      O 3928  -2.227   0.373  -1.100
  282LEU      N 3929  -2.077   0.212  -1.056
  282LEU     HN 3930  -2.061   0.116  -1.031
  282LEU     CA 3931  -1.958   0.292  -1.073
  282LEU     HA 3932  -1.983   0.394  -1.096
  282LEU     CB 3933  -1.867   0.287  -0.947
  282LEU    HB1 3934  -1.774   0.345  -0.965
  282LEU    HB2 3935  -1.838   0.181  -0.928
  282LEU     CG 3936  -1.930   0.343  -0.818
  282LEU     HG 3937  -2.024   0.287  -0.797
  282LEU    CD1 3938  -1.835   0.319  -0.700
  282LEU   HD11 3939  -1.739   0.372  -0.715
  282LEU   HD12 3940  -1.813   0.210  -0.689
  282LEU   HD13 3941  -1.881   0.354  -0.606
  282LEU    CD2 3942  -1.962   0.493  -0.830
  282LEU   HD21 3943  -2.039   0.510  -0.907
  282LEU   HD22 3944  -1.870   0.549  -0.856
  282LEU   HD23 3945  -1.999   0.530  -0.732
  282LEU      C 3946  -1.882   0.234  -1.191
  282LEU      O 3947  -1.841   0.118  -1.192
  283ASP      N 3948  -1.862   0.316  -1.296
  283ASP     HN 3949  -1.889   0.413  -1.291
  283ASP     CA 3950  -1.801   0.276  -1.421
  283ASP     HA 3951  -1.816   0.169  -1.436
  283ASP     CB 3952  -1.869   0.355  -1.536
  283ASP    HB1 3953  -1.863   0.463  -1.512
  283ASP    HB2 3954  -1.977   0.326  -1.538
  283ASP     CG 3955  -1.814   0.336  -1.676
  283ASP    OD1 3956  -1.707   0.270  -1.696
  283ASP    OD2 3957  -1.874   0.395  -1.768
  283ASP      C 3958  -1.651   0.301  -1.410
  283ASP      O 3959  -1.608   0.414  -1.386
  284THR      N 3960  -1.567   0.198  -1.424
  284THR     HN 3961  -1.602   0.105  -1.442
  284THR     CA 3962  -1.424   0.208  -1.395
  284THR     HA 3963  -1.408   0.284  -1.321
  284THR     CB 3964  -1.364   0.078  -1.342
  284THR     HB 3965  -1.255   0.087  -1.326
  284THR    OG1 3966  -1.388  -0.031  -1.430
  284THR    HG1 3967  -1.358  -0.110  -1.383
  284THR    CG2 3968  -1.430   0.044  -1.208
  284THR   HG21 3969  -1.541   0.041  -1.216
  284THR   HG22 3970  -1.402   0.119  -1.131
  284THR   HG23 3971  -1.396  -0.055  -1.171
  284THR      C 3972  -1.345   0.251  -1.517
  284THR      O 3973  -1.222   0.257  -1.515
  285THR      N 3974  -1.415   0.292  -1.625
  285THR     HN 3975  -1.515   0.283  -1.625
  285THR     CA 3976  -1.352   0.351  -1.742
  285THR     HA 3977  -1.251   0.316  -1.750
  285THR     CB 3978  -1.424   0.315  -1.873
  285THR     HB 3979  -1.363   0.352  -1.959
  285THR    OG1 3980  -1.556   0.371  -1.885
  285THR    HG1 3981  -1.610   0.327  -1.816
  285THR    CG2 3982  -1.435   0.162  -1.884
  285THR   HG21 3983  -1.501   0.121  -1.805
  285THR   HG22 3984  -1.335   0.115  -1.874
  285THR   HG23 3985  -1.478   0.134  -1.983
  285THR      C 3986  -1.348   0.502  -1.727
  285THR      O 3987  -1.300   0.574  -1.815
  286LYS      N 3988  -1.396   0.552  -1.612
  286LYS     HN 3989  -1.428   0.488  -1.541
  286LYS     CA 3990  -1.410   0.691  -1.580
  286LYS     HA 3991  -1.352   0.751  -1.648
  286LYS     CB 3992  -1.560   0.733  -1.583
  286LYS    HB1 3993  -1.571   0.839  -1.551
  286LYS    HB2 3994  -1.615   0.669  -1.510
  286LYS     CG 3995  -1.625   0.715  -1.722
  286LYS    HG1 3996  -1.603   0.611  -1.757
  286LYS    HG2 3997  -1.578   0.786  -1.793
  286LYS     CD 3998  -1.778   0.733  -1.720
  286LYS    HD1 3999  -1.801   0.832  -1.676
  286LYS    HD2 4000  -1.822   0.655  -1.652
  286LYS     CE 4001  -1.844   0.722  -1.859
  286LYS    HE1 4002  -1.806   0.804  -1.924
  286LYS    HE2 4003  -1.954   0.732  -1.849
  286LYS     NZ 4004  -1.814   0.592  -1.923
  286LYS    HZ1 4005  -1.847   0.514  -1.859
  286LYS    HZ2 4006  -1.712   0.575  -1.934
  286LYS    HZ3 4007  -1.864   0.578  -2.013
  286LYS      C 4008  -1.356   0.711  -1.440
  286LYS      O 4009  -1.362   0.624  -1.355
  287LYS      N 4010  -1.299   0.832  -1.414
  287LYS     HN 4011  -1.289   0.898  -1.487
  287LYS     CA 4012  -1.253   0.872  -1.283
  287LYS     HA 4013  -1.184   0.796  -1.248
  287LYS     CB 4014  -1.179   1.009  -1.293
  287LYS    HB1 4015  -1.253   1.089  -1.313
  287LYS    HB2 4016  -1.110   1.002  -1.380
  287LYS     CG 4017  -1.093   1.046  -1.170
  287LYS    HG1 4018  -1.015   0.967  -1.159
  287LYS    HG2 4019  -1.155   1.044  -1.078
  287LYS     CD 4020  -1.021   1.182  -1.180
  287LYS    HD1 4021  -0.957   1.182  -1.271
  287LYS    HD2 4022  -0.954   1.189  -1.092
  287LYS     CE 4023  -1.117   1.302  -1.184
  287LYS    HE1 4024  -1.196   1.291  -1.107
  287LYS    HE2 4025  -1.163   1.311  -1.284
  287LYS     NZ 4026  -1.044   1.427  -1.154
  287LYS    HZ1 4027  -0.953   1.427  -1.205
  287LYS    HZ2 4028  -1.030   1.433  -1.050
  287LYS    HZ3 4029  -1.100   1.509  -1.186
  287LYS      C 4030  -1.368   0.878  -1.182
  287LYS      O 4031  -1.481   0.911  -1.214
  288LEU      N 4032  -1.339   0.844  -1.055
  288LEU     HN 4033  -1.247   0.813  -1.029
  288LEU     CA 4034  -1.436   0.847  -0.949
  288LEU     HA 4035  -1.517   0.913  -0.975
  288LEU     CB 4036  -1.494   0.707  -0.913
  288LEU    HB1 4037  -1.548   0.667  -1.001
  288LEU    HB2 4038  -1.570   0.720  -0.832
  288LEU     CG 4039  -1.394   0.599  -0.865
  288LEU     HG 4040  -1.320   0.644  -0.794
  288LEU    CD1 4041  -1.469   0.490  -0.787
  288LEU   HD11 4042  -1.545   0.441  -0.851
  288LEU   HD12 4043  -1.520   0.534  -0.698
  288LEU   HD13 4044  -1.398   0.412  -0.751
  288LEU    CD2 4045  -1.316   0.535  -0.981
  288LEU   HD21 4046  -1.243   0.606  -1.025
  288LEU   HD22 4047  -1.385   0.503  -1.061
  288LEU   HD23 4048  -1.259   0.446  -0.946
  288LEU      C 4049  -1.370   0.907  -0.827
  288LEU      O 4050  -1.247   0.914  -0.817
  289THR      N 4051  -1.452   0.954  -0.733
  289THR     HN 4052  -1.551   0.954  -0.748
  289THR     CA 4053  -1.408   1.009  -0.607
  289THR     HA 4054  -1.301   1.020  -0.605
  289THR     CB 4055  -1.474   1.143  -0.574
  289THR     HB 4056  -1.583   1.127  -0.558
  289THR    OG1 4057  -1.457   1.236  -0.680
  289THR    HG1 4058  -1.361   1.256  -0.681
  289THR    CG2 4059  -1.413   1.208  -0.449
  289THR   HG21 4060  -1.304   1.222  -0.464
  289THR   HG22 4061  -1.429   1.146  -0.358
  289THR   HG23 4062  -1.460   1.307  -0.432
  289THR      C 4063  -1.447   0.908  -0.501
  289THR      O 4064  -1.555   0.853  -0.503
  290VAL      N 4065  -1.355   0.883  -0.406
  290VAL     HN 4066  -1.267   0.931  -0.407
  290VAL     CA 4067  -1.370   0.783  -0.302
  290VAL     HA 4068  -1.469   0.740  -0.304
  290VAL     CB 4069  -1.265   0.673  -0.316
  290VAL     HB 4070  -1.163   0.717  -0.307
  290VAL    CG1 4071  -1.284   0.566  -0.207
  290VAL   HG11 4072  -1.385   0.521  -0.213
  290VAL   HG12 4073  -1.268   0.607  -0.105
  290VAL   HG13 4074  -1.210   0.484  -0.222
  290VAL    CG2 4075  -1.275   0.608  -0.456
  290VAL   HG21 4076  -1.251   0.681  -0.536
  290VAL   HG22 4077  -1.376   0.568  -0.474
  290VAL   HG23 4078  -1.202   0.525  -0.464
  290VAL      C 4079  -1.353   0.857  -0.171
  290VAL      O 4080  -1.252   0.926  -0.150
  291VAL      N 4081  -1.452   0.850  -0.080
  291VAL     HN 4082  -1.535   0.797  -0.097
  291VAL     CA 4083  -1.448   0.921   0.046
  291VAL     HA 4084  -1.352   0.970   0.059
  291VAL     CB 4085  -1.557   1.027   0.060
  291VAL     HB 4086  -1.657   0.979   0.062
  291VAL    CG1 4087  -1.536   1.108   0.190
  291VAL   HG11 4088  -1.433   1.151   0.194
  291VAL   HG12 4089  -1.550   1.045   0.280
  291VAL   HG13 4090  -1.608   1.192   0.196
  291VAL    CG2 4091  -1.552   1.121  -0.063
  291VAL   HG21 4092  -1.582   1.066  -0.155
  291VAL   HG22 4093  -1.450   1.161  -0.077
  291VAL   HG23 4094  -1.622   1.206  -0.049
  291VAL      C 4095  -1.464   0.820   0.157
  291VAL      O 4096  -1.556   0.741   0.161
  292THR      N 4097  -1.368   0.820   0.252
  292THR     HN 4098  -1.295   0.888   0.250
  292THR     CA 4099  -1.365   0.722   0.361
  292THR     HA 4100  -1.453   0.659   0.358
  292THR     CB 4101  -1.242   0.634   0.356
  292THR     HB 4102  -1.150   0.691   0.383
  292THR    OG1 4103  -1.226   0.583   0.224
  292THR    HG1 4104  -1.208   0.662   0.170
  292THR    CG2 4105  -1.257   0.513   0.449
  292THR   HG21 4106  -1.347   0.453   0.423
  292THR   HG22 4107  -1.265   0.545   0.555
  292THR   HG23 4108  -1.168   0.447   0.440
  292THR      C 4109  -1.369   0.800   0.488
  292THR      O 4110  -1.290   0.895   0.506
  293GLN      N 4111  -1.462   0.769   0.579
  293GLN     HN 4112  -1.520   0.688   0.566
  293GLN     CA 4113  -1.489   0.848   0.698
  293GLN     HA 4114  -1.423   0.933   0.703
  293GLN     CB 4115  -1.638   0.894   0.702
  293GLN    HB1 4116  -1.651   0.964   0.787
  293GLN    HB2 4117  -1.702   0.805   0.721
  293GLN     CG 4118  -1.687   0.961   0.571
  293GLN    HG1 4119  -1.675   0.891   0.485
  293GLN    HG2 4120  -1.627   1.051   0.550
  293GLN     CD 4121  -1.836   0.998   0.576
  293GLN    OE1 4122  -1.926   0.913   0.581
  293GLN    NE2 4123  -1.865   1.130   0.574
  293GLN   HE21 4124  -1.789   1.196   0.567
  293GLN   HE22 4125  -1.959   1.158   0.593
  293GLN      C 4126  -1.464   0.758   0.818
  293GLN      O 4127  -1.510   0.647   0.823
  294PHE      N 4128  -1.387   0.810   0.918
  294PHE     HN 4129  -1.347   0.901   0.913
  294PHE     CA 4130  -1.354   0.732   1.036
  294PHE     HA 4131  -1.389   0.630   1.028
  294PHE     CB 4132  -1.202   0.734   1.063
  294PHE    HB1 4133  -1.177   0.682   1.158
  294PHE    HB2 4134  -1.166   0.839   1.069
  294PHE     CG 4135  -1.127   0.669   0.951
  294PHE    CD1 4136  -1.088   0.739   0.836
  294PHE    HD1 4137  -1.114   0.844   0.826
  294PHE    CE1 4138  -1.018   0.675   0.733
  294PHE    HE1 4139  -0.990   0.730   0.644
  294PHE     CZ 4140  -0.985   0.540   0.746
  294PHE     HZ 4141  -0.931   0.488   0.668
  294PHE    CD2 4142  -1.090   0.534   0.964
  294PHE    HD2 4143  -1.117   0.479   1.053
  294PHE    CE2 4144  -1.020   0.470   0.862
  294PHE    HE2 4145  -0.994   0.366   0.873
  294PHE      C 4146  -1.421   0.794   1.156
  294PHE      O 4147  -1.373   0.897   1.209
  295GLU      N 4148  -1.530   0.737   1.207
  295GLU     HN 4149  -1.564   0.649   1.172
  295GLU     CA 4150  -1.601   0.797   1.318
  295GLU     HA 4151  -1.586   0.904   1.312
  295GLU     CB 4152  -1.755   0.777   1.315
  295GLU    HB1 4153  -1.794   0.809   1.215
  295GLU    HB2 4154  -1.798   0.848   1.389
  295GLU     CG 4155  -1.807   0.636   1.346
  295GLU    HG1 4156  -1.736   0.580   1.411
  295GLU    HG2 4157  -1.819   0.576   1.253
  295GLU     CD 4158  -1.939   0.641   1.422
  295GLU    OE1 4159  -2.041   0.700   1.369
  295GLU    OE2 4160  -1.941   0.594   1.536
  295GLU      C 4161  -1.542   0.755   1.451
  295GLU      O 4162  -1.453   0.670   1.463
  296THR      N 4163  -1.589   0.817   1.560
  296THR     HN 4164  -1.666   0.880   1.554
  296THR     CA 4165  -1.525   0.810   1.691
  296THR     HA 4166  -1.418   0.809   1.674
  296THR     CB 4167  -1.555   0.932   1.777
  296THR     HB 4168  -1.514   0.920   1.880
  296THR    OG1 4169  -1.695   0.958   1.785
  296THR    HG1 4170  -1.704   1.051   1.806
  296THR    CG2 4171  -1.486   1.052   1.711
  296THR   HG21 4172  -1.528   1.072   1.610
  296THR   HG22 4173  -1.378   1.030   1.697
  296THR   HG23 4174  -1.497   1.144   1.772
  296THR      C 4175  -1.554   0.685   1.769
  296THR      O 4176  -1.489   0.658   1.870
  297SER      N 4177  -1.651   0.602   1.727
  297SER     HN 4178  -1.709   0.624   1.648
  297SER     CA 4179  -1.664   0.466   1.779
  297SER     HA 4180  -1.669   0.474   1.887
  297SER     CB 4181  -1.793   0.395   1.731
  297SER    HB1 4182  -1.880   0.458   1.761
  297SER    HB2 4183  -1.804   0.296   1.778
  297SER     OG 4184  -1.798   0.383   1.588
  297SER    HG1 4185  -1.857   0.454   1.557
  297SER      C 4186  -1.542   0.380   1.748
  297SER      O 4187  -1.483   0.318   1.836
  298GLY      N 4188  -1.497   0.388   1.620
  298GLY     HN 4189  -1.542   0.452   1.559
  298GLY     CA 4190  -1.394   0.307   1.558
  298GLY    HA1 4191  -1.365   0.225   1.622
  298GLY    HA2 4192  -1.312   0.372   1.531
  298GLY      C 4193  -1.445   0.247   1.430
  298GLY      O 4194  -1.373   0.174   1.362
  299ALA      N 4195  -1.571   0.276   1.393
  299ALA     HN 4196  -1.631   0.331   1.451
  299ALA     CA 4197  -1.632   0.233   1.270
  299ALA     HA 4198  -1.598   0.132   1.248
  299ALA     CB 4199  -1.786   0.230   1.282
  299ALA    HB1 4200  -1.826   0.332   1.300
  299ALA    HB2 4201  -1.816   0.166   1.367
  299ALA    HB3 4202  -1.833   0.190   1.190
  299ALA      C 4203  -1.593   0.318   1.151
  299ALA      O 4204  -1.557   0.437   1.164
  300ILE      N 4205  -1.599   0.259   1.031
  300ILE     HN 4206  -1.633   0.164   1.023
  300ILE     CA 4207  -1.555   0.321   0.908
  300ILE     HA 4208  -1.528   0.424   0.927
  300ILE     CB 4209  -1.434   0.250   0.847
  300ILE     HB 4210  -1.463   0.148   0.814
  300ILE    CG2 4211  -1.385   0.330   0.723
  300ILE   HG21 4212  -1.354   0.432   0.753
  300ILE   HG22 4213  -1.465   0.338   0.646
  300ILE   HG23 4214  -1.299   0.279   0.676
  300ILE    CG1 4215  -1.321   0.233   0.952
  300ILE   HG11 4216  -1.360   0.181   1.042
  300ILE   HG12 4217  -1.286   0.334   0.984
  300ILE     CD 4218  -1.202   0.150   0.902
  300ILE    HD1 4219  -1.152   0.199   0.816
  300ILE    HD2 4220  -1.235   0.049   0.870
  300ILE    HD3 4221  -1.126   0.138   0.983
  300ILE      C 4222  -1.674   0.322   0.813
  300ILE      O 4223  -1.738   0.223   0.785
  301ASN      N 4224  -1.707   0.443   0.760
  301ASN     HN 4225  -1.650   0.522   0.783
  301ASN     CA 4226  -1.810   0.460   0.660
  301ASN     HA 4227  -1.863   0.366   0.647
  301ASN     CB 4228  -1.912   0.572   0.695
  301ASN    HB1 4229  -1.992   0.579   0.619
  301ASN    HB2 4230  -1.860   0.669   0.700
  301ASN     CG 4231  -1.977   0.552   0.832
  301ASN    OD1 4232  -1.956   0.634   0.922
  301ASN    ND2 4233  -2.063   0.449   0.844
  301ASN   HD21 4234  -2.100   0.428   0.937
  301ASN   HD22 4235  -2.077   0.384   0.771
  301ASN      C 4236  -1.745   0.493   0.527
  301ASN      O 4237  -1.630   0.539   0.520
  302ARG      N 4238  -1.818   0.474   0.418
  302ARG     HN 4239  -1.911   0.438   0.422
  302ARG     CA 4240  -1.766   0.493   0.284
  302ARG     HA 4241  -1.690   0.570   0.286
  302ARG     CB 4242  -1.702   0.361   0.234
  302ARG    HB1 4243  -1.768   0.277   0.266
  302ARG    HB2 4244  -1.605   0.346   0.287
  302ARG     CG 4245  -1.680   0.343   0.081
  302ARG    HG1 4246  -1.778   0.350   0.030
  302ARG    HG2 4247  -1.645   0.239   0.064
  302ARG     CD 4248  -1.582   0.438   0.013
  302ARG    HD1 4249  -1.609   0.544   0.031
  302ARG    HD2 4250  -1.580   0.423  -0.097
  302ARG     NE 4251  -1.444   0.415   0.069
  302ARG     HE 4252  -1.406   0.478   0.135
  302ARG     CZ 4253  -1.361   0.322   0.023
  302ARG    NH1 4254  -1.389   0.232  -0.066
  302ARG   HH11 4255  -1.483   0.221  -0.101
  302ARG   HH12 4256  -1.324   0.162  -0.096
  302ARG    NH2 4257  -1.238   0.327   0.076
  302ARG   HH21 4258  -1.217   0.397   0.142
  302ARG   HH22 4259  -1.168   0.261   0.048
  302ARG      C 4260  -1.876   0.543   0.192
  302ARG      O 4261  -1.989   0.500   0.198
  303TYR      N 4262  -1.840   0.640   0.104
  303TYR     HN 4263  -1.749   0.679   0.104
  303TYR     CA 4264  -1.926   0.677  -0.006
  303TYR     HA 4265  -1.981   0.590  -0.038
  303TYR     CB 4266  -2.028   0.791   0.027
  303TYR    HB1 4267  -2.085   0.761   0.118
  303TYR    HB2 4268  -2.102   0.799  -0.055
  303TYR     CG 4269  -1.969   0.928   0.051
  303TYR    CD1 4270  -1.956   1.018  -0.056
  303TYR    HD1 4271  -1.979   0.986  -0.157
  303TYR    CE1 4272  -1.915   1.151  -0.034
  303TYR    HE1 4273  -1.905   1.219  -0.116
  303TYR     CZ 4274  -1.886   1.193   0.096
  303TYR     OH 4275  -1.848   1.327   0.119
  303TYR     HH 4276  -1.815   1.334   0.210
  303TYR    CD2 4277  -1.939   0.972   0.180
  303TYR    HD2 4278  -1.950   0.903   0.263
  303TYR    CE2 4279  -1.897   1.104   0.203
  303TYR    HE2 4280  -1.873   1.136   0.303
  303TYR      C 4281  -1.837   0.712  -0.123
  303TYR      O 4282  -1.714   0.733  -0.108
  304TYR      N 4283  -1.894   0.716  -0.242
  304TYR     HN 4284  -1.994   0.698  -0.250
  304TYR     CA 4285  -1.826   0.738  -0.366
  304TYR     HA 4286  -1.726   0.774  -0.348
  304TYR     CB 4287  -1.825   0.613  -0.459
  304TYR    HB1 4288  -1.759   0.631  -0.547
  304TYR    HB2 4289  -1.927   0.591  -0.497
  304TYR     CG 4290  -1.778   0.488  -0.388
  304TYR    CD1 4291  -1.864   0.415  -0.304
  304TYR    HD1 4292  -1.965   0.450  -0.287
  304TYR    CE1 4293  -1.819   0.298  -0.241
  304TYR    HE1 4294  -1.885   0.244  -0.173
  304TYR     CZ 4295  -1.691   0.250  -0.264
  304TYR     OH 4296  -1.638   0.139  -0.192
  304TYR     HH 4297  -1.602   0.074  -0.254
  304TYR    CD2 4298  -1.650   0.437  -0.413
  304TYR    HD2 4299  -1.583   0.488  -0.480
  304TYR    CE2 4300  -1.606   0.317  -0.352
  304TYR    HE2 4301  -1.507   0.279  -0.371
  304TYR      C 4302  -1.906   0.846  -0.436
  304TYR      O 4303  -2.025   0.862  -0.414
  305VAL      N 4304  -1.839   0.923  -0.524
  305VAL     HN 4305  -1.742   0.909  -0.540
  305VAL     CA 4306  -1.909   1.019  -0.608
  305VAL     HA 4307  -2.014   0.998  -0.608
  305VAL     CB 4308  -1.890   1.166  -0.567
  305VAL     HB 4309  -1.783   1.196  -0.580
  305VAL    CG1 4310  -1.977   1.258  -0.655
  305VAL   HG11 4311  -2.085   1.231  -0.645
  305VAL   HG12 4312  -1.948   1.251  -0.762
  305VAL   HG13 4313  -1.964   1.363  -0.623
  305VAL    CG2 4314  -1.926   1.184  -0.419
  305VAL   HG21 4315  -1.855   1.128  -0.354
  305VAL   HG22 4316  -2.029   1.148  -0.398
  305VAL   HG23 4317  -1.920   1.291  -0.390
  305VAL      C 4318  -1.859   0.997  -0.748
  305VAL      O 4319  -1.737   0.999  -0.774
  306GLN      N 4320  -1.948   0.975  -0.845
  306GLN     HN 4321  -2.046   0.966  -0.823
  306GLN     CA 4322  -1.909   0.973  -0.984
  306GLN     HA 4323  -1.817   1.028  -0.996
  306GLN     CB 4324  -1.886   0.831  -1.040
  306GLN    HB1 4325  -1.979   0.770  -1.028
  306GLN    HB2 4326  -1.808   0.783  -0.977
  306GLN     CG 4327  -1.840   0.830  -1.187
  306GLN    HG1 4328  -1.753   0.898  -1.200
  306GLN    HG2 4329  -1.922   0.866  -1.253
  306GLN     CD 4330  -1.802   0.690  -1.235
  306GLN    OE1 4331  -1.890   0.609  -1.269
  306GLN    NE2 4332  -1.671   0.660  -1.239
  306GLN   HE21 4333  -1.643   0.568  -1.270
  306GLN   HE22 4334  -1.602   0.728  -1.214
  306GLN      C 4335  -2.013   1.047  -1.065
  306GLN      O 4336  -2.132   1.022  -1.058
  307ASN      N 4337  -1.967   1.148  -1.142
  307ASN     HN 4338  -1.869   1.165  -1.140
  307ASN     CA 4339  -2.049   1.230  -1.229
  307ASN     HA 4340  -1.982   1.301  -1.274
  307ASN     CB 4341  -2.118   1.150  -1.344
  307ASN    HB1 4342  -2.176   1.219  -1.409
  307ASN    HB2 4343  -2.188   1.075  -1.301
  307ASN     CG 4344  -2.013   1.082  -1.431
  307ASN    OD1 4345  -1.898   1.124  -1.437
  307ASN    ND2 4346  -2.055   0.975  -1.501
  307ASN   HD21 4347  -1.984   0.918  -1.545
  307ASN   HD22 4348  -2.149   0.944  -1.495
  307ASN      C 4349  -2.149   1.317  -1.153
  307ASN      O 4350  -2.254   1.356  -1.205
  308GLY      N 4351  -2.114   1.350  -1.027
  308GLY     HN 4352  -2.029   1.313  -0.992
  308GLY     CA 4353  -2.192   1.436  -0.938
  308GLY    HA1 4354  -2.246   1.509  -0.996
  308GLY    HA2 4355  -2.122   1.478  -0.868
  308GLY      C 4356  -2.293   1.360  -0.857
  308GLY      O 4357  -2.365   1.417  -0.776
  309VAL      N 4358  -2.298   1.227  -0.877
  309VAL     HN 4359  -2.232   1.182  -0.937
  309VAL     CA 4360  -2.397   1.140  -0.820
  309VAL     HA 4361  -2.481   1.197  -0.782
  309VAL     CB 4362  -2.446   1.036  -0.920
  309VAL     HB 4363  -2.361   0.971  -0.952
  309VAL    CG1 4364  -2.555   0.948  -0.856
  309VAL   HG11 4365  -2.639   1.010  -0.819
  309VAL   HG12 4366  -2.515   0.886  -0.773
  309VAL   HG13 4367  -2.595   0.878  -0.932
  309VAL    CG2 4368  -2.502   1.106  -1.046
  309VAL   HG21 4369  -2.435   1.187  -1.082
  309VAL   HG22 4370  -2.603   1.147  -1.025
  309VAL   HG23 4371  -2.512   1.031  -1.127
  309VAL      C 4372  -2.330   1.070  -0.705
  309VAL      O 4373  -2.224   1.010  -0.720
  310THR      N 4374  -2.390   1.080  -0.585
  310THR     HN 4375  -2.478   1.125  -0.576
  310THR     CA 4376  -2.333   1.022  -0.464
  310THR     HA 4377  -2.227   1.010  -0.477
  310THR     CB 4378  -2.355   1.110  -0.343
  310THR     HB 4379  -2.464   1.127  -0.326
  310THR    OG1 4380  -2.293   1.237  -0.364
  310THR    HG1 4381  -2.316   1.262  -0.454
  310THR    CG2 4382  -2.292   1.050  -0.216
  310THR   HG21 4383  -2.186   1.024  -0.235
  310THR   HG22 4384  -2.346   0.959  -0.183
  310THR   HG23 4385  -2.296   1.123  -0.133
  310THR      C 4386  -2.393   0.885  -0.441
  310THR      O 4387  -2.513   0.865  -0.440
  311PHE      N 4388  -2.304   0.785  -0.421
  311PHE     HN 4389  -2.206   0.804  -0.422
  311PHE     CA 4390  -2.342   0.649  -0.391
  311PHE     HA 4391  -2.450   0.639  -0.384
  311PHE     CB 4392  -2.286   0.547  -0.494
  311PHE    HB1 4393  -2.318   0.444  -0.468
  311PHE    HB2 4394  -2.175   0.549  -0.495
  311PHE     CG 4395  -2.336   0.579  -0.632
  311PHE    CD1 4396  -2.458   0.528  -0.677
  311PHE    HD1 4397  -2.519   0.468  -0.611
  311PHE    CE1 4398  -2.502   0.551  -0.809
  311PHE    HE1 4399  -2.596   0.511  -0.842
  311PHE     CZ 4400  -2.421   0.624  -0.897
  311PHE     HZ 4401  -2.453   0.639  -0.999
  311PHE    CD2 4402  -2.257   0.654  -0.721
  311PHE    HD2 4403  -2.162   0.693  -0.688
  311PHE    CE2 4404  -2.299   0.676  -0.853
  311PHE    HE2 4405  -2.236   0.732  -0.921
  311PHE      C 4406  -2.283   0.618  -0.257
  311PHE      O 4407  -2.162   0.633  -0.236
  312GLN      N 4408  -2.364   0.575  -0.160
  312GLN     HN 4409  -2.461   0.563  -0.177
  312GLN     CA 4410  -2.314   0.516  -0.037
  312GLN     HA 4411  -2.235   0.578   0.002
  312GLN     CB 4412  -2.429   0.502   0.067
  312GLN    HB1 4413  -2.499   0.421   0.034
  312GLN    HB2 4414  -2.487   0.597   0.066
  312GLN     CG 4415  -2.385   0.475   0.213
  312GLN    HG1 4416  -2.324   0.382   0.217
  312GLN    HG2 4417  -2.476   0.459   0.274
  312GLN     CD 4418  -2.306   0.591   0.274
  312GLN    OE1 4419  -2.307   0.705   0.228
  312GLN    NE2 4420  -2.240   0.563   0.389
  312GLN   HE21 4421  -2.181   0.635   0.424
  312GLN   HE22 4422  -2.234   0.468   0.420
  312GLN      C 4423  -2.257   0.379  -0.071
  312GLN      O 4424  -2.300   0.317  -0.168
  313GLN      N 4425  -2.159   0.329   0.008
  313GLN     HN 4426  -2.118   0.385   0.079
  313GLN     CA 4427  -2.122   0.187   0.013
  313GLN     HA 4428  -2.056   0.169  -0.070
  313GLN     CB 4429  -2.045   0.162   0.146
  313GLN    HB1 4430  -2.115   0.180   0.231
  313GLN    HB2 4431  -1.965   0.238   0.154
  313GLN     CG 4432  -1.982   0.022   0.166
  313GLN    HG1 4433  -2.054  -0.058   0.142
  313GLN    HG2 4434  -1.952   0.009   0.272
  313GLN     CD 4435  -1.860   0.003   0.075
  313GLN    OE1 4436  -1.875  -0.005  -0.046
  313GLN    NE2 4437  -1.738  -0.002   0.134
  313GLN   HE21 4438  -1.661  -0.021   0.074
  313GLN   HE22 4439  -1.730  -0.007   0.233
  313GLN      C 4440  -2.244   0.094   0.004
  313GLN      O 4441  -2.340   0.118   0.075
  314PRO      N 4442  -2.251  -0.009  -0.083
  314PRO     CD 4443  -2.161  -0.034  -0.194
  314PRO    HD1 4444  -2.072  -0.091  -0.158
  314PRO    HD2 4445  -2.128   0.061  -0.243
  314PRO     CA 4446  -2.364  -0.100  -0.085
  314PRO     HA 4447  -2.451  -0.040  -0.109
  314PRO     CB 4448  -2.331  -0.201  -0.195
  314PRO    HB1 4449  -2.422  -0.241  -0.243
  314PRO    HB2 4450  -2.270  -0.286  -0.154
  314PRO     CG 4451  -2.243  -0.120  -0.290
  314PRO    HG1 4452  -2.179  -0.184  -0.354
  314PRO    HG2 4453  -2.306  -0.054  -0.354
  314PRO      C 4454  -2.392  -0.167   0.047
  314PRO      O 4455  -2.299  -0.198   0.121
  315ASN      N 4456  -2.520  -0.194   0.078
  315ASN     HN 4457  -2.594  -0.158   0.024
  315ASN     CA 4458  -2.554  -0.289   0.181
  315ASN     HA 4459  -2.500  -0.259   0.270
  315ASN     CB 4460  -2.706  -0.296   0.211
  315ASN    HB1 4461  -2.730  -0.388   0.267
  315ASN    HB2 4462  -2.763  -0.298   0.116
  315ASN     CG 4463  -2.748  -0.174   0.292
  315ASN    OD1 4464  -2.734  -0.058   0.252
  315ASN    ND2 4465  -2.806  -0.199   0.411
  315ASN   HD21 4466  -2.835  -0.124   0.470
  315ASN   HD22 4467  -2.832  -0.293   0.436
  315ASN      C 4468  -2.503  -0.428   0.147
  315ASN      O 4469  -2.507  -0.471   0.030
  316ALA      N 4470  -2.455  -0.496   0.250
  316ALA     HN 4471  -2.450  -0.455   0.341
  316ALA     CA 4472  -2.411  -0.632   0.246
  316ALA     HA 4473  -2.435  -0.678   0.151
  316ALA     CB 4474  -2.260  -0.638   0.274
  316ALA    HB1 4475  -2.235  -0.588   0.370
  316ALA    HB2 4476  -2.204  -0.586   0.193
  316ALA    HB3 4477  -2.223  -0.743   0.279
  316ALA      C 4478  -2.489  -0.700   0.356
  316ALA      O 4479  -2.507  -0.647   0.463
  317GLU      N 4480  -2.540  -0.822   0.326
  317GLU     HN 4481  -2.529  -0.863   0.237
  317GLU     CA 4482  -2.610  -0.900   0.425
  317GLU     HA 4483  -2.613  -0.849   0.521
  317GLU     CB 4484  -2.755  -0.934   0.382
  317GLU    HB1 4485  -2.803  -0.988   0.468
  317GLU    HB2 4486  -2.754  -1.001   0.294
  317GLU     CG 4487  -2.837  -0.807   0.348
  317GLU    HG1 4488  -2.807  -0.767   0.249
  317GLU    HG2 4489  -2.816  -0.729   0.425
  317GLU     CD 4490  -2.988  -0.831   0.349
  317GLU    OE1 4491  -3.040  -0.859   0.458
  317GLU    OE2 4492  -3.053  -0.812   0.241
  317GLU      C 4493  -2.527  -1.024   0.443
  317GLU      O 4494  -2.507  -1.103   0.348
  318LEU      N 4495  -2.470  -1.042   0.562
  318LEU     HN 4496  -2.495  -0.981   0.638
  318LEU     CA 4497  -2.371  -1.142   0.588
  318LEU     HA 4498  -2.380  -1.223   0.517
  318LEU     CB 4499  -2.230  -1.077   0.578
  318LEU    HB1 4500  -2.220  -0.999   0.658
  318LEU    HB2 4501  -2.225  -1.024   0.481
  318LEU     CG 4502  -2.109  -1.172   0.584
  318LEU     HG 4503  -2.113  -1.230   0.679
  318LEU    CD1 4504  -2.108  -1.270   0.467
  318LEU   HD11 4505  -2.107  -1.215   0.370
  318LEU   HD12 4506  -2.197  -1.337   0.468
  318LEU   HD13 4507  -2.017  -1.334   0.472
  318LEU    CD2 4508  -1.980  -1.090   0.585
  318LEU   HD21 4509  -1.969  -1.032   0.679
  318LEU   HD22 4510  -1.978  -1.018   0.500
  318LEU   HD23 4511  -1.891  -1.156   0.574
  318LEU      C 4512  -2.400  -1.195   0.727
  318LEU      O 4513  -2.394  -1.123   0.825
  319GLY      N 4514  -2.437  -1.325   0.740
  319GLY     HN 4515  -2.440  -1.384   0.660
  319GLY     CA 4516  -2.472  -1.382   0.870
  319GLY    HA1 4517  -2.386  -1.372   0.934
  319GLY    HA2 4518  -2.497  -1.486   0.852
  319GLY      C 4519  -2.591  -1.319   0.939
  319GLY      O 4520  -2.705  -1.327   0.895
  320SER      N 4521  -2.568  -1.257   1.057
  320SER     HN 4522  -2.476  -1.258   1.095
  320SER     CA 4523  -2.669  -1.183   1.130
  320SER     HA 4524  -2.768  -1.209   1.095
  320SER     CB 4525  -2.661  -1.212   1.283
  320SER    HB1 4526  -2.681  -1.320   1.296
  320SER    HB2 4527  -2.740  -1.156   1.339
  320SER     OG 4528  -2.532  -1.185   1.339
  320SER    HG1 4529  -2.509  -1.094   1.316
  320SER      C 4530  -2.656  -1.033   1.112
  320SER      O 4531  -2.729  -0.955   1.171
  321TYR      N 4532  -2.559  -0.992   1.027
  321TYR     HN 4533  -2.506  -1.058   0.974
  321TYR     CA 4534  -2.532  -0.855   0.994
  321TYR     HA 4535  -2.568  -0.791   1.074
  321TYR     CB 4536  -2.378  -0.831   0.980
  321TYR    HB1 4537  -2.335  -0.905   0.910
  321TYR    HB2 4538  -2.329  -0.846   1.079
  321TYR     CG 4539  -2.343  -0.694   0.929
  321TYR    CD1 4540  -2.327  -0.670   0.791
  321TYR    HD1 4541  -2.337  -0.752   0.721
  321TYR    CE1 4542  -2.303  -0.540   0.744
  321TYR    HE1 4543  -2.293  -0.522   0.638
  321TYR     CZ 4544  -2.292  -0.435   0.835
  321TYR     OH 4545  -2.270  -0.301   0.795
  321TYR     HH 4546  -2.209  -0.264   0.859
  321TYR    CD2 4547  -2.328  -0.588   1.019
  321TYR    HD2 4548  -2.338  -0.605   1.125
  321TYR    CE2 4549  -2.301  -0.459   0.972
  321TYR    HE2 4550  -2.289  -0.378   1.042
  321TYR      C 4551  -2.610  -0.812   0.870
  321TYR      O 4552  -2.629  -0.889   0.774
  322SER      N 4553  -2.654  -0.687   0.868
  322SER     HN 4554  -2.632  -0.627   0.944
  322SER     CA 4555  -2.707  -0.620   0.751
  322SER     HA 4556  -2.659  -0.658   0.662
  322SER     CB 4557  -2.861  -0.629   0.739
  322SER    HB1 4558  -2.910  -0.580   0.826
  322SER    HB2 4559  -2.891  -0.736   0.739
  322SER     OG 4560  -2.907  -0.568   0.618
  322SER    HG1 4561  -2.932  -0.641   0.559
  322SER      C 4562  -2.666  -0.476   0.774
  322SER      O 4563  -2.669  -0.428   0.885
  323GLY      N 4564  -2.621  -0.408   0.665
  323GLY     HN 4565  -2.607  -0.456   0.579
  323GLY     CA 4566  -2.578  -0.269   0.673
  323GLY    HA1 4567  -2.533  -0.250   0.769
  323GLY    HA2 4568  -2.663  -0.206   0.651
  323GLY      C 4569  -2.474  -0.240   0.569
  323GLY      O 4570  -2.440  -0.326   0.486
  324ASN      N 4571  -2.423  -0.116   0.567
  324ASN     HN 4572  -2.457  -0.048   0.632
  324ASN     CA 4573  -2.320  -0.069   0.475
  324ASN     HA 4574  -2.280  -0.153   0.419
  324ASN     CB 4575  -2.383   0.030   0.374
  324ASN    HB1 4576  -2.454  -0.027   0.311
  324ASN    HB2 4577  -2.304   0.071   0.308
  324ASN     CG 4578  -2.458   0.147   0.438
  324ASN    OD1 4579  -2.446   0.184   0.556
  324ASN    ND2 4580  -2.547   0.209   0.357
  324ASN   HD21 4581  -2.554   0.177   0.263
  324ASN   HD22 4582  -2.605   0.279   0.397
  324ASN      C 4583  -2.203  -0.005   0.547
  324ASN      O 4584  -2.129   0.079   0.491
  325GLU      N 4585  -2.183  -0.039   0.674
  325GLU     HN 4586  -2.236  -0.116   0.712
  325GLU     CA 4587  -2.086   0.022   0.762
  325GLU     HA 4588  -2.027   0.094   0.708
  325GLU     CB 4589  -2.157   0.091   0.881
  325GLU    HB1 4590  -2.229   0.019   0.924
  325GLU    HB2 4591  -2.216   0.176   0.839
  325GLU     CG 4592  -2.066   0.142   0.996
  325GLU    HG1 4593  -1.990   0.214   0.959
  325GLU    HG2 4594  -2.012   0.058   1.042
  325GLU     CD 4595  -2.150   0.210   1.104
  325GLU    OE1 4596  -2.157   0.154   1.216
  325GLU    OE2 4597  -2.214   0.316   1.075
  325GLU      C 4598  -1.990  -0.084   0.814
  325GLU      O 4599  -2.032  -0.183   0.871
  326LEU      N 4600  -1.858  -0.061   0.794
  326LEU     HN 4601  -1.824   0.022   0.752
  326LEU     CA 4602  -1.755  -0.149   0.846
  326LEU     HA 4603  -1.786  -0.252   0.830
  326LEU     CB 4604  -1.622  -0.125   0.771
  326LEU    HB1 4605  -1.576  -0.029   0.803
  326LEU    HB2 4606  -1.648  -0.114   0.663
  326LEU     CG 4607  -1.517  -0.238   0.777
  326LEU     HG 4608  -1.567  -0.335   0.753
  326LEU    CD1 4609  -1.410  -0.215   0.668
  326LEU   HD11 4610  -1.353  -0.122   0.687
  326LEU   HD12 4611  -1.457  -0.208   0.567
  326LEU   HD13 4612  -1.339  -0.300   0.666
  326LEU    CD2 4613  -1.448  -0.253   0.914
  326LEU   HD21 4614  -1.520  -0.282   0.992
  326LEU   HD22 4615  -1.398  -0.158   0.943
  326LEU   HD23 4616  -1.371  -0.333   0.907
  326LEU      C 4617  -1.745  -0.123   0.996
  326LEU      O 4618  -1.704  -0.016   1.042
  327ASN      N 4619  -1.787  -0.222   1.076
  327ASN     HN 4620  -1.818  -0.308   1.037
  327ASN     CA 4621  -1.801  -0.209   1.219
  327ASN     HA 4622  -1.723  -0.145   1.255
  327ASN     CB 4623  -1.939  -0.148   1.262
  327ASN    HB1 4624  -1.943  -0.044   1.222
  327ASN    HB2 4625  -1.945  -0.142   1.372
  327ASN     CG 4626  -2.062  -0.224   1.212
  327ASN    OD1 4627  -2.059  -0.341   1.176
  327ASN    ND2 4628  -2.177  -0.152   1.214
  327ASN   HD21 4629  -2.175  -0.055   1.234
  327ASN   HD22 4630  -2.261  -0.200   1.186
  327ASN      C 4631  -1.775  -0.346   1.279
  327ASN      O 4632  -1.757  -0.445   1.207
  328ASP      N 4633  -1.770  -0.358   1.413
  328ASP     HN 4634  -1.779  -0.279   1.473
  328ASP     CA 4635  -1.741  -0.483   1.481
  328ASP     HA 4636  -1.644  -0.517   1.446
  328ASP     CB 4637  -1.735  -0.461   1.635
  328ASP    HB1 4638  -1.719  -0.559   1.686
  328ASP    HB2 4639  -1.831  -0.418   1.670
  328ASP     CG 4640  -1.622  -0.368   1.677
  328ASP    OD1 4641  -1.504  -0.414   1.681
  328ASP    OD2 4642  -1.653  -0.250   1.706
  328ASP      C 4643  -1.841  -0.594   1.448
  328ASP      O 4644  -1.801  -0.711   1.432
  329ASP      N 4645  -1.972  -0.561   1.434
  329ASP     HN 4646  -2.002  -0.468   1.449
  329ASP     CA 4647  -2.076  -0.654   1.393
  329ASP     HA 4648  -2.073  -0.737   1.462
  329ASP     CB 4649  -2.220  -0.590   1.397
  329ASP    HB1 4650  -2.292  -0.662   1.352
  329ASP    HB2 4651  -2.221  -0.497   1.337
  329ASP     CG 4652  -2.276  -0.559   1.536
  329ASP    OD1 4653  -2.211  -0.596   1.638
  329ASP    OD2 4654  -2.389  -0.504   1.543
  329ASP      C 4655  -2.050  -0.712   1.255
  329ASP      O 4656  -2.065  -0.835   1.236
  330TYR      N 4657  -2.009  -0.632   1.155
  330TYR     HN 4658  -2.001  -0.532   1.170
  330TYR     CA 4659  -1.967  -0.678   1.023
  330TYR     HA 4660  -2.049  -0.736   0.981
  330TYR     CB 4661  -1.938  -0.558   0.927
  330TYR    HB1 4662  -1.870  -0.487   0.977
  330TYR    HB2 4663  -2.032  -0.503   0.904
  330TYR     CG 4664  -1.875  -0.600   0.796
  330TYR    CD1 4665  -1.949  -0.670   0.699
  330TYR    HD1 4666  -2.054  -0.688   0.715
  330TYR    CE1 4667  -1.887  -0.720   0.584
  330TYR    HE1 4668  -1.944  -0.776   0.511
  330TYR     CZ 4669  -1.750  -0.703   0.565
  330TYR     OH 4670  -1.687  -0.758   0.452
  330TYR     HH 4671  -1.592  -0.771   0.469
  330TYR    CD2 4672  -1.738  -0.579   0.773
  330TYR    HD2 4673  -1.678  -0.527   0.846
  330TYR    CE2 4674  -1.675  -0.631   0.659
  330TYR    HE2 4675  -1.568  -0.620   0.644
  330TYR      C 4676  -1.849  -0.774   1.029
  330TYR      O 4677  -1.853  -0.883   0.974
  331CYS      N 4678  -1.742  -0.736   1.102
  331CYS     HN 4679  -1.742  -0.648   1.148
  331CYS     CA 4680  -1.619  -0.815   1.108
  331CYS     HA 4681  -1.591  -0.840   1.007
  331CYS     CB 4682  -1.506  -0.734   1.175
  331CYS    HB1 4683  -1.413  -0.795   1.176
  331CYS    HB2 4684  -1.535  -0.710   1.280
  331CYS     SG 4685  -1.474  -0.579   1.087
  331CYS      C 4686  -1.638  -0.945   1.181
  331CYS      O 4687  -1.584  -1.051   1.141
  332THR      N 4688  -1.718  -0.946   1.287
  332THR     HN 4689  -1.761  -0.859   1.315
  332THR     CA 4690  -1.757  -1.067   1.360
  332THR     HA 4691  -1.666  -1.118   1.390
  332THR     CB 4692  -1.841  -1.035   1.484
  332THR     HB 4693  -1.936  -0.985   1.454
  332THR    OG1 4694  -1.771  -0.947   1.572
  332THR    HG1 4695  -1.764  -0.863   1.523
  332THR    CG2 4696  -1.872  -1.163   1.564
  332THR   HG21 4697  -1.777  -1.211   1.595
  332THR   HG22 4698  -1.929  -1.235   1.503
  332THR   HG23 4699  -1.930  -1.138   1.655
  332THR      C 4700  -1.837  -1.161   1.272
  332THR      O 4701  -1.816  -1.284   1.271
  333ALA      N 4702  -1.931  -1.107   1.194
  333ALA     HN 4703  -1.946  -1.008   1.193
  333ALA     CA 4704  -2.007  -1.182   1.095
  333ALA     HA 4705  -2.053  -1.265   1.145
  333ALA     CB 4706  -2.116  -1.092   1.033
  333ALA    HB1 4707  -2.071  -1.005   0.980
  333ALA    HB2 4708  -2.183  -1.052   1.113
  333ALA    HB3 4709  -2.177  -1.149   0.960
  333ALA      C 4710  -1.921  -1.237   0.984
  333ALA      O 4711  -1.937  -1.357   0.946
  334GLU      N 4712  -1.826  -1.161   0.931
  334GLU     HN 4713  -1.816  -1.064   0.959
  334GLU     CA 4714  -1.736  -1.202   0.826
  334GLU     HA 4715  -1.795  -1.236   0.743
  334GLU     CB 4716  -1.650  -1.083   0.780
  334GLU    HB1 4717  -1.584  -1.048   0.861
  334GLU    HB2 4718  -1.717  -0.998   0.753
  334GLU     CG 4719  -1.565  -1.119   0.655
  334GLU    HG1 4720  -1.633  -1.148   0.573
  334GLU    HG2 4721  -1.494  -1.201   0.674
  334GLU     CD 4722  -1.485  -0.999   0.606
  334GLU    OE1 4723  -1.466  -0.903   0.680
  334GLU    OE2 4724  -1.446  -1.010   0.484
  334GLU      C 4725  -1.648  -1.320   0.865
  334GLU      O 4726  -1.639  -1.419   0.794
  335GLU      N 4727  -1.589  -1.316   0.987
  335GLU     HN 4728  -1.594  -1.233   1.042
  335GLU     CA 4729  -1.513  -1.428   1.043
  335GLU     HA 4730  -1.435  -1.453   0.972
  335GLU     CB 4731  -1.448  -1.390   1.178
  335GLU    HB1 4732  -1.406  -1.482   1.225
  335GLU    HB2 4733  -1.526  -1.348   1.246
  335GLU     CG 4734  -1.330  -1.288   1.168
  335GLU    HG1 4735  -1.367  -1.193   1.126
  335GLU    HG2 4736  -1.252  -1.327   1.101
  335GLU     CD 4737  -1.271  -1.260   1.307
  335GLU    OE1 4738  -1.346  -1.257   1.404
  335GLU    OE2 4739  -1.144  -1.242   1.319
  335GLU      C 4740  -1.599  -1.553   1.062
  335GLU      O 4741  -1.554  -1.668   1.045
  336ALA      N 4742  -1.725  -1.539   1.103
  336ALA     HN 4743  -1.762  -1.447   1.119
  336ALA     CA 4744  -1.818  -1.651   1.110
  336ALA     HA 4745  -1.771  -1.729   1.167
  336ALA     CB 4746  -1.946  -1.607   1.184
  336ALA    HB1 4747  -2.002  -1.532   1.123
  336ALA    HB2 4748  -1.920  -1.560   1.281
  336ALA    HB3 4749  -2.012  -1.694   1.202
  336ALA      C 4750  -1.853  -1.713   0.976
  336ALA      O 4751  -1.860  -1.838   0.966
  337GLU      N 4752  -1.876  -1.634   0.872
  337GLU     HN 4753  -1.869  -1.534   0.883
  337GLU     CA 4754  -1.927  -1.680   0.744
  337GLU     HA 4755  -1.989  -1.767   0.761
  337GLU     CB 4756  -2.013  -1.570   0.678
  337GLU    HB1 4757  -2.039  -1.598   0.574
  337GLU    HB2 4758  -1.953  -1.476   0.674
  337GLU     CG 4759  -2.146  -1.540   0.753
  337GLU    HG1 4760  -2.194  -1.453   0.705
  337GLU    HG2 4761  -2.125  -1.513   0.859
  337GLU     CD 4762  -2.247  -1.655   0.753
  337GLU    OE1 4763  -2.296  -1.689   0.640
  337GLU    OE2 4764  -2.281  -1.709   0.860
  337GLU      C 4765  -1.816  -1.721   0.649
  337GLU      O 4766  -1.829  -1.825   0.580
  338PHE      N 4767  -1.706  -1.646   0.642
  338PHE     HN 4768  -1.696  -1.562   0.699
  338PHE     CA 4769  -1.595  -1.668   0.549
  338PHE     HA 4770  -1.625  -1.737   0.471
  338PHE     CB 4771  -1.544  -1.535   0.486
  338PHE    HB1 4772  -1.459  -1.557   0.418
  338PHE    HB2 4773  -1.509  -1.466   0.566
  338PHE     CG 4774  -1.644  -1.458   0.401
  338PHE    CD1 4775  -1.766  -1.511   0.356
  338PHE    HD1 4776  -1.796  -1.610   0.384
  338PHE    CE1 4777  -1.850  -1.435   0.273
  338PHE    HE1 4778  -1.945  -1.476   0.241
  338PHE     CZ 4779  -1.812  -1.306   0.234
  338PHE     HZ 4780  -1.876  -1.248   0.169
  338PHE    CD2 4781  -1.608  -1.328   0.362
  338PHE    HD2 4782  -1.515  -1.285   0.397
  338PHE    CE2 4783  -1.691  -1.253   0.278
  338PHE    HE2 4784  -1.661  -1.153   0.251
  338PHE      C 4785  -1.478  -1.730   0.621
  338PHE      O 4786  -1.375  -1.764   0.558
  339GLY      N 4787  -1.487  -1.753   0.752
  339GLY     HN 4788  -1.566  -1.717   0.803
  339GLY     CA 4789  -1.380  -1.811   0.831
  339GLY    HA1 4790  -1.336  -1.892   0.774
  339GLY    HA2 4791  -1.423  -1.844   0.924
  339GLY      C 4792  -1.268  -1.718   0.865
  339GLY      O 4793  -1.260  -1.603   0.822
  340GLY      N 4794  -1.175  -1.769   0.948
  340GLY     HN 4795  -1.192  -1.860   0.986
  340GLY     CA 4796  -1.063  -1.694   1.001
  340GLY    HA1 4797  -1.044  -1.606   0.941
  340GLY    HA2 4798  -0.979  -1.761   1.006
  340GLY      C 4799  -1.088  -1.648   1.142
  340GLY      O 4800  -1.190  -1.678   1.205
  341SER      N 4801  -0.989  -1.578   1.197
  341SER     HN 4802  -0.909  -1.555   1.142
  341SER     CA 4803  -0.995  -1.529   1.333
  341SER     HA 4804  -1.088  -1.475   1.345
  341SER     CB 4805  -0.985  -1.642   1.441
  341SER    HB1 4806  -1.069  -1.712   1.423
  341SER    HB2 4807  -0.997  -1.597   1.542
  341SER     OG 4808  -0.863  -1.717   1.437
  341SER    HG1 4809  -0.791  -1.652   1.443
  341SER      C 4810  -0.884  -1.431   1.362
  341SER      O 4811  -0.873  -1.378   1.472
  342SER      N 4812  -0.795  -1.403   1.265
  342SER     HN 4813  -0.802  -1.438   1.171
  342SER     CA 4814  -0.680  -1.317   1.282
  342SER     HA 4815  -0.625  -1.357   1.366
  342SER     CB 4816  -0.586  -1.324   1.160
  342SER    HB1 4817  -0.539  -1.425   1.161
  342SER    HB2 4818  -0.505  -1.248   1.165
  342SER     OG 4819  -0.658  -1.311   1.038
  342SER    HG1 4820  -0.655  -1.215   1.015
  342SER      C 4821  -0.714  -1.174   1.322
  342SER      O 4822  -0.646  -1.117   1.408
  343PHE      N 4823  -0.821  -1.115   1.265
  343PHE     HN 4824  -0.875  -1.163   1.196
  343PHE     CA 4825  -0.869  -0.982   1.300
  343PHE     HA 4826  -0.786  -0.914   1.289
  343PHE     CB 4827  -0.984  -0.940   1.203
  343PHE    HB1 4828  -1.071  -1.007   1.214
  343PHE    HB2 4829  -0.946  -0.950   1.099
  343PHE     CG 4830  -1.028  -0.796   1.221
  343PHE    CD1 4831  -0.956  -0.693   1.159
  343PHE    HD1 4832  -0.866  -0.718   1.104
  343PHE    CE1 4833  -0.999  -0.560   1.164
  343PHE    HE1 4834  -0.943  -0.484   1.113
  343PHE     CZ 4835  -1.117  -0.529   1.232
  343PHE     HZ 4836  -1.152  -0.427   1.232
  343PHE    CD2 4837  -1.148  -0.763   1.288
  343PHE    HD2 4838  -1.207  -0.842   1.332
  343PHE    CE2 4839  -1.192  -0.630   1.293
  343PHE    HE2 4840  -1.285  -0.605   1.341
  343PHE      C 4841  -0.913  -0.973   1.446
  343PHE      O 4842  -0.874  -0.883   1.522
  344SER      N 4843  -0.993  -1.071   1.493
  344SER     HN 4844  -1.027  -1.142   1.429
  344SER     CA 4845  -1.036  -1.081   1.632
  344SER     HA 4846  -1.071  -0.982   1.659
  344SER     CB 4847  -1.155  -1.176   1.655
  344SER    HB1 4848  -1.242  -1.137   1.597
  344SER    HB2 4849  -1.184  -1.177   1.762
  344SER     OG 4850  -1.129  -1.309   1.611
  344SER    HG1 4851  -1.137  -1.303   1.513
  344SER      C 4852  -0.925  -1.112   1.731
  344SER      O 4853  -0.923  -1.057   1.842
  345ASP      N 4854  -0.827  -1.198   1.692
  345ASP     HN 4855  -0.838  -1.245   1.603
  345ASP     CA 4856  -0.707  -1.233   1.767
  345ASP     HA 4857  -0.739  -1.275   1.862
  345ASP     CB 4858  -0.617  -1.337   1.691
  345ASP    HB1 4859  -0.520  -1.346   1.744
  345ASP    HB2 4860  -0.598  -1.298   1.589
  345ASP     CG 4861  -0.671  -1.479   1.680
  345ASP    OD1 4862  -0.764  -1.519   1.753
  345ASP    OD2 4863  -0.605  -1.558   1.604
  345ASP      C 4864  -0.622  -1.110   1.798
  345ASP      O 4865  -0.565  -1.095   1.907
  346LYS      N 4866  -0.613  -1.016   1.702
  346LYS     HN 4867  -0.658  -1.031   1.614
  346LYS     CA 4868  -0.534  -0.894   1.715
  346LYS     HA 4869  -0.456  -0.909   1.788
  346LYS     CB 4870  -0.464  -0.858   1.581
  346LYS    HB1 4871  -0.444  -0.749   1.574
  346LYS    HB2 4872  -0.533  -0.883   1.497
  346LYS     CG 4873  -0.329  -0.928   1.560
  346LYS    HG1 4874  -0.259  -0.892   1.639
  346LYS    HG2 4875  -0.288  -0.894   1.462
  346LYS     CD 4876  -0.333  -1.082   1.561
  346LYS    HD1 4877  -0.402  -1.115   1.481
  346LYS    HD2 4878  -0.374  -1.116   1.659
  346LYS     CE 4879  -0.194  -1.143   1.541
  346LYS    HE1 4880  -0.127  -1.114   1.625
  346LYS    HE2 4881  -0.149  -1.108   1.447
  346LYS     NZ 4882  -0.201  -1.290   1.537
  346LYS    HZ1 4883  -0.264  -1.323   1.460
  346LYS    HZ2 4884  -0.240  -1.326   1.625
  346LYS    HZ3 4885  -0.105  -1.328   1.520
  346LYS      C 4886  -0.615  -0.778   1.769
  346LYS      O 4887  -0.568  -0.665   1.780
  347GLY      N 4888  -0.740  -0.805   1.812
  347GLY     HN 4889  -0.776  -0.897   1.797
  347GLY     CA 4890  -0.816  -0.714   1.898
  347GLY    HA1 4891  -0.749  -0.648   1.949
  347GLY    HA2 4892  -0.872  -0.776   1.965
  347GLY      C 4893  -0.915  -0.629   1.824
  347GLY      O 4894  -0.972  -0.536   1.881
  348GLY      N 4895  -0.940  -0.661   1.695
  348GLY     HN 4896  -0.889  -0.738   1.653
  348GLY     CA 4897  -1.033  -0.595   1.604
  348GLY    HA1 4898  -1.133  -0.622   1.636
  348GLY    HA2 4899  -1.009  -0.632   1.505
  348GLY      C 4900  -1.026  -0.445   1.597
  348GLY      O 4901  -0.918  -0.383   1.613
  349LEU      N 4902  -1.139  -0.377   1.576
  349LEU     HN 4903  -1.227  -0.424   1.566
  349LEU     CA 4904  -1.144  -0.232   1.558
  349LEU     HA 4905  -1.073  -0.207   1.481
  349LEU     CB 4906  -1.284  -0.184   1.514
  349LEU    HB1 4907  -1.289  -0.072   1.516
  349LEU    HB2 4908  -1.360  -0.222   1.585
  349LEU     CG 4909  -1.325  -0.226   1.371
  349LEU     HG 4910  -1.319  -0.337   1.363
  349LEU    CD1 4911  -1.470  -0.185   1.346
  349LEU   HD11 4912  -1.480  -0.074   1.348
  349LEU   HD12 4913  -1.536  -0.228   1.424
  349LEU   HD13 4914  -1.503  -0.222   1.246
  349LEU    CD2 4915  -1.235  -0.163   1.264
  349LEU   HD21 4916  -1.129  -0.196   1.274
  349LEU   HD22 4917  -1.239  -0.052   1.269
  349LEU   HD23 4918  -1.270  -0.194   1.163
  349LEU      C 4919  -1.103  -0.157   1.683
  349LEU      O 4920  -1.052  -0.044   1.677
  350THR      N 4921  -1.122  -0.216   1.801
  350THR     HN 4922  -1.160  -0.308   1.799
  350THR     CA 4923  -1.076  -0.159   1.927
  350THR     HA 4924  -1.116  -0.059   1.933
  350THR     CB 4925  -1.128  -0.238   2.046
  350THR     HB 4926  -1.111  -0.347   2.027
  350THR    OG1 4927  -1.267  -0.211   2.061
  350THR    HG1 4928  -1.311  -0.247   1.982
  350THR    CG2 4929  -1.063  -0.200   2.180
  350THR   HG21 4930  -1.072  -0.091   2.198
  350THR   HG22 4931  -0.956  -0.227   2.183
  350THR   HG23 4932  -1.113  -0.255   2.262
  350THR      C 4933  -0.927  -0.142   1.938
  350THR      O 4934  -0.878  -0.036   1.981
  351GLN      N 4935  -0.849  -0.243   1.898
  351GLN     HN 4936  -0.889  -0.329   1.863
  351GLN     CA 4937  -0.705  -0.232   1.887
  351GLN     HA 4938  -0.668  -0.190   1.979
  351GLN     CB 4939  -0.639  -0.370   1.862
  351GLN    HB1 4940  -0.682  -0.415   1.770
  351GLN    HB2 4941  -0.667  -0.437   1.946
  351GLN     CG 4942  -0.485  -0.367   1.850
  351GLN    HG1 4943  -0.456  -0.311   1.758
  351GLN    HG2 4944  -0.446  -0.470   1.839
  351GLN     CD 4945  -0.417  -0.303   1.972
  351GLN    OE1 4946  -0.469  -0.286   2.080
  351GLN    NE2 4947  -0.287  -0.268   1.951
  351GLN   HE21 4948  -0.245  -0.291   1.863
  351GLN   HE22 4949  -0.233  -0.241   2.030
  351GLN      C 4950  -0.663  -0.138   1.776
  351GLN      O 4951  -0.574  -0.052   1.794
  352PHE      N 4952  -0.730  -0.147   1.661
  352PHE     HN 4953  -0.801  -0.218   1.652
  352PHE     CA 4954  -0.706  -0.071   1.541
  352PHE     HA 4955  -0.603  -0.088   1.513
  352PHE     CB 4956  -0.802  -0.121   1.430
  352PHE    HB1 4957  -0.906  -0.095   1.455
  352PHE    HB2 4958  -0.794  -0.231   1.416
  352PHE     CG 4959  -0.766  -0.056   1.301
  352PHE    CD1 4960  -0.639  -0.082   1.246
  352PHE    HD1 4961  -0.573  -0.153   1.293
  352PHE    CE1 4962  -0.596  -0.013   1.133
  352PHE    HE1 4963  -0.498  -0.032   1.093
  352PHE     CZ 4964  -0.680   0.080   1.072
  352PHE     HZ 4965  -0.647   0.131   0.984
  352PHE    CD2 4966  -0.851   0.037   1.238
  352PHE    HD2 4967  -0.948   0.057   1.280
  352PHE    CE2 4968  -0.808   0.105   1.124
  352PHE    HE2 4969  -0.873   0.177   1.076
  352PHE      C 4970  -0.722   0.079   1.564
  352PHE      O 4971  -0.646   0.163   1.512
  353LYS      N 4972  -0.818   0.118   1.648
  353LYS     HN 4973  -0.877   0.047   1.687
  353LYS     CA 4974  -0.853   0.255   1.681
  353LYS     HA 4975  -0.881   0.303   1.589
  353LYS     CB 4976  -0.974   0.252   1.777
  353LYS    HB1 4977  -0.949   0.190   1.865
  353LYS    HB2 4978  -1.057   0.202   1.722
  353LYS     CG 4979  -1.023   0.390   1.824
  353LYS    HG1 4980  -1.042   0.454   1.735
  353LYS    HG2 4981  -0.946   0.439   1.887
  353LYS     CD 4982  -1.152   0.375   1.906
  353LYS    HD1 4983  -1.127   0.315   1.997
  353LYS    HD2 4984  -1.225   0.317   1.845
  353LYS     CE 4985  -1.214   0.508   1.946
  353LYS    HE1 4986  -1.250   0.562   1.856
  353LYS    HE2 4987  -1.140   0.572   1.998
  353LYS     NZ 4988  -1.329   0.484   2.036
  353LYS    HZ1 4989  -1.298   0.443   2.127
  353LYS    HZ2 4990  -1.394   0.418   1.988
  353LYS    HZ3 4991  -1.378   0.574   2.052
  353LYS      C 4992  -0.738   0.335   1.741
  353LYS      O 4993  -0.729   0.458   1.726
  354LYS      N 4994  -0.646   0.267   1.811
  354LYS     HN 4995  -0.655   0.168   1.818
  354LYS     CA 4996  -0.521   0.323   1.860
  354LYS     HA 4997  -0.546   0.408   1.921
  354LYS     CB 4998  -0.444   0.219   1.944
  354LYS    HB1 4999  -0.351   0.266   1.984
  354LYS    HB2 5000  -0.414   0.135   1.878
  354LYS     CG 5001  -0.525   0.162   2.061
  354LYS    HG1 5002  -0.620   0.117   2.022
  354LYS    HG2 5003  -0.553   0.243   2.131
  354LYS     CD 5004  -0.448   0.051   2.134
  354LYS    HD1 5005  -0.354   0.094   2.175
  354LYS    HD2 5006  -0.420  -0.025   2.058
  354LYS     CE 5007  -0.529  -0.015   2.246
  354LYS    HE1 5008  -0.624  -0.055   2.205
  354LYS    HE2 5009  -0.551   0.059   2.326
  354LYS     NZ 5010  -0.453  -0.128   2.305
  354LYS    HZ1 5011  -0.355  -0.097   2.329
  354LYS    HZ2 5012  -0.445  -0.203   2.232
  354LYS    HZ3 5013  -0.499  -0.168   2.389
  354LYS      C 5014  -0.431   0.373   1.748
  354LYS      O 5015  -0.373   0.483   1.759
  355ALA      N 5016  -0.419   0.299   1.637
  355ALA     HN 5017  -0.472   0.214   1.625
  355ALA     CA 5018  -0.344   0.337   1.518
  355ALA     HA 5019  -0.242   0.359   1.548
  355ALA     CB 5020  -0.343   0.223   1.415
  355ALA    HB1 5021  -0.444   0.204   1.373
  355ALA    HB2 5022  -0.307   0.129   1.462
  355ALA    HB3 5023  -0.275   0.247   1.331
  355ALA      C 5024  -0.399   0.464   1.455
  355ALA      O 5025  -0.325   0.558   1.425
  356THR      N 5026  -0.532   0.474   1.442
  356THR     HN 5027  -0.591   0.396   1.466
  356THR     CA 5028  -0.598   0.590   1.383
  356THR     HA 5029  -0.539   0.620   1.297
  356THR     CB 5030  -0.740   0.561   1.335
  356THR     HB 5031  -0.789   0.654   1.297
  356THR    OG1 5032  -0.821   0.504   1.437
  356THR    HG1 5033  -0.818   0.563   1.513
  356THR    CG2 5034  -0.734   0.461   1.219
  356THR   HG21 5035  -0.690   0.364   1.252
  356THR   HG22 5036  -0.672   0.500   1.136
  356THR   HG23 5037  -0.836   0.440   1.180
  356THR      C 5038  -0.602   0.709   1.476
  356THR      O 5039  -0.626   0.823   1.433
  357SER      N 5040  -0.582   0.687   1.607
  357SER     HN 5041  -0.570   0.593   1.638
  357SER     CA 5042  -0.569   0.793   1.708
  357SER     HA 5043  -0.638   0.872   1.685
  357SER     CB 5044  -0.593   0.744   1.853
  357SER    HB1 5045  -0.582   0.829   1.924
  357SER    HB2 5046  -0.519   0.665   1.880
  357SER     OG 5047  -0.725   0.691   1.868
  357SER    HG1 5048  -0.729   0.610   1.814
  357SER      C 5049  -0.430   0.852   1.709
  357SER      O 5050  -0.409   0.966   1.755
  358GLY      N 5051  -0.330   0.776   1.661
  358GLY     HN 5052  -0.350   0.684   1.628
  358GLY     CA 5053  -0.194   0.822   1.638
  358GLY    HA1 5054  -0.130   0.736   1.643
  358GLY    HA2 5055  -0.169   0.899   1.710
  358GLY      C 5056  -0.176   0.884   1.502
  358GLY      O 5057  -0.272   0.931   1.439
  359GLY      N 5058  -0.051   0.888   1.455
  359GLY     HN 5059   0.025   0.854   1.509
  359GLY     CA 5060  -0.018   0.928   1.319
  359GLY    HA1 5061   0.078   0.978   1.322
  359GLY    HA2 5062  -0.096   0.989   1.277
  359GLY      C 5063  -0.000   0.806   1.234
  359GLY      O 5064   0.037   0.700   1.279
  360MET      N 5065  -0.029   0.824   1.104
  360MET     HN 5066  -0.065   0.910   1.069
  360MET     CA 5067  -0.005   0.723   1.004
  360MET     HA 5068   0.078   0.661   1.035
  360MET     CB 5069  -0.131   0.637   0.976
  360MET    HB1 5070  -0.100   0.554   0.908
  360MET    HB2 5071  -0.208   0.699   0.924
  360MET     CG 5072  -0.198   0.575   1.101
  360MET    HG1 5073  -0.233   0.658   1.166
  360MET    HG2 5074  -0.121   0.520   1.158
  360MET     SD 5075  -0.340   0.465   1.066
  360MET     CE 5076  -0.248   0.319   1.010
  360MET    HE1 5077  -0.182   0.279   1.090
  360MET    HE2 5078  -0.184   0.342   0.923
  360MET    HE3 5079  -0.317   0.237   0.980
  360MET      C 5080   0.037   0.797   0.879
  360MET      O 5081  -0.017   0.904   0.846
  361VAL      N 5082   0.136   0.742   0.807
  361VAL     HN 5083   0.174   0.654   0.836
  361VAL     CA 5084   0.196   0.800   0.689
  361VAL     HA 5085   0.188   0.908   0.694
  361VAL     CB 5086   0.343   0.762   0.678
  361VAL     HB 5087   0.354   0.651   0.686
  361VAL    CG1 5088   0.406   0.808   0.544
  361VAL   HG11 5089   0.388   0.916   0.527
  361VAL   HG12 5090   0.364   0.750   0.459
  361VAL   HG13 5091   0.516   0.789   0.546
  361VAL    CG2 5092   0.418   0.827   0.797
  361VAL   HG21 5093   0.382   0.788   0.894
  361VAL   HG22 5094   0.403   0.937   0.798
  361VAL   HG23 5095   0.527   0.806   0.791
  361VAL      C 5096   0.119   0.753   0.567
  361VAL      O 5097   0.093   0.634   0.550
  362LEU      N 5098   0.076   0.847   0.480
  362LEU     HN 5099   0.094   0.943   0.500
  362LEU     CA 5100   0.013   0.816   0.353
  362LEU     HA 5101  -0.067   0.746   0.372
  362LEU     CB 5102  -0.045   0.944   0.287
  362LEU    HB1 5103   0.038   1.017   0.275
  362LEU    HB2 5104  -0.119   0.989   0.357
  362LEU     CG 5105  -0.113   0.927   0.149
  362LEU     HG 5106  -0.039   0.884   0.077
  362LEU    CD1 5107  -0.233   0.832   0.154
  362LEU   HD11 5108  -0.310   0.869   0.225
  362LEU   HD12 5109  -0.203   0.730   0.185
  362LEU   HD13 5110  -0.279   0.824   0.053
  362LEU    CD2 5111  -0.158   1.062   0.093
  362LEU   HD21 5112  -0.071   1.129   0.079
  362LEU   HD22 5113  -0.231   1.110   0.162
  362LEU   HD23 5114  -0.207   1.047  -0.006
  362LEU      C 5115   0.108   0.749   0.255
  362LEU      O 5116   0.218   0.798   0.229
  363VAL      N 5117   0.063   0.637   0.196
  363VAL     HN 5118  -0.026   0.598   0.220
  363VAL     CA 5119   0.136   0.558   0.100
  363VAL     HA 5120   0.229   0.608   0.076
  363VAL     CB 5121   0.166   0.417   0.148
  363VAL     HB 5122   0.074   0.354   0.145
  363VAL    CG1 5123   0.274   0.353   0.058
  363VAL   HG11 5124   0.361   0.421   0.046
  363VAL   HG12 5125   0.233   0.328  -0.042
  363VAL   HG13 5126   0.310   0.259   0.104
  363VAL    CG2 5127   0.212   0.418   0.295
  363VAL   HG21 5128   0.128   0.446   0.362
  363VAL   HG22 5129   0.296   0.488   0.312
  363VAL   HG23 5130   0.245   0.316   0.324
  363VAL      C 5131   0.052   0.552  -0.025
  363VAL      O 5132  -0.072   0.545  -0.020
  364MET      N 5133   0.115   0.556  -0.143
  364MET     HN 5134   0.215   0.564  -0.145
  364MET     CA 5135   0.048   0.536  -0.270
  364MET     HA 5136  -0.042   0.478  -0.255
  364MET     CB 5137   0.015   0.669  -0.343
  364MET    HB1 5138  -0.020   0.646  -0.447
  364MET    HB2 5139   0.109   0.728  -0.351
  364MET     CG 5140  -0.095   0.751  -0.274
  364MET    HG1 5141  -0.073   0.758  -0.165
  364MET    HG2 5142  -0.190   0.693  -0.283
  364MET     SD 5143  -0.119   0.919  -0.338
  364MET     CE 5144   0.027   0.991  -0.257
  364MET    HE1 5145   0.120   0.942  -0.292
  364MET    HE2 5146   0.022   0.977  -0.147
  364MET    HE3 5147   0.036   1.099  -0.278
  364MET      C 5148   0.141   0.451  -0.355
  364MET      O 5149   0.261   0.475  -0.361
  365SER      N 5150   0.087   0.346  -0.419
  365SER     HN 5151  -0.011   0.324  -0.412
  365SER     CA 5152   0.170   0.248  -0.486
  365SER     HA 5153   0.260   0.296  -0.520
  365SER     CB 5154   0.210   0.128  -0.394
  365SER    HB1 5155   0.263   0.169  -0.305
  365SER    HB2 5156   0.281   0.060  -0.446
  365SER     OG 5157   0.097   0.053  -0.349
  365SER    HG1 5158   0.131  -0.019  -0.292
  365SER      C 5159   0.102   0.195  -0.609
  365SER      O 5160  -0.016   0.221  -0.637
  366LEU      N 5161   0.179   0.122  -0.690
  366LEU     HN 5162   0.275   0.108  -0.668
  366LEU     CA 5163   0.128   0.044  -0.800
  366LEU     HA 5164   0.026   0.015  -0.781
  366LEU     CB 5165   0.142   0.121  -0.934
  366LEU    HB1 5166   0.248   0.153  -0.947
  366LEU    HB2 5167   0.080   0.213  -0.926
  366LEU     CG 5168   0.099   0.044  -1.061
  366LEU     HG 5169   0.167  -0.044  -1.074
  366LEU    CD1 5170  -0.045  -0.009  -1.053
  366LEU   HD11 5171  -0.116   0.074  -1.036
  366LEU   HD12 5172  -0.056  -0.082  -0.970
  366LEU   HD13 5173  -0.072  -0.061  -1.147
  366LEU    CD2 5174   0.114   0.133  -1.185
  366LEU   HD21 5175   0.219   0.170  -1.194
  366LEU   HD22 5176   0.047   0.221  -1.178
  366LEU   HD23 5177   0.088   0.077  -1.277
  366LEU      C 5178   0.215  -0.079  -0.801
  366LEU      O 5179   0.336  -0.069  -0.791
  367TRP      N 5180   0.153  -0.199  -0.809
  367TRP     HN 5181   0.054  -0.208  -0.812
  367TRP     CA 5182   0.227  -0.322  -0.796
  367TRP     HA 5183   0.321  -0.313  -0.850
  367TRP     CB 5184   0.257  -0.356  -0.646
  367TRP    HB1 5185   0.318  -0.273  -0.604
  367TRP    HB2 5186   0.321  -0.447  -0.641
  367TRP     CG 5187   0.139  -0.376  -0.555
  367TRP    CD1 5188   0.055  -0.279  -0.506
  367TRP    HD1 5189   0.059  -0.174  -0.533
  367TRP    NE1 5190  -0.033  -0.334  -0.415
  367TRP    HE1 5191  -0.090  -0.288  -0.350
  367TRP    CE2 5192  -0.008  -0.468  -0.404
  367TRP    CD2 5193   0.100  -0.499  -0.489
  367TRP    CE3 5194   0.150  -0.629  -0.491
  367TRP    HE3 5195   0.235  -0.656  -0.551
  367TRP    CZ3 5196   0.090  -0.725  -0.409
  367TRP    HZ3 5197   0.128  -0.827  -0.407
  367TRP    CZ2 5198  -0.068  -0.563  -0.322
  367TRP    HZ2 5199  -0.147  -0.536  -0.254
  367TRP    CH2 5200  -0.017  -0.692  -0.326
  367TRP    HH2 5201  -0.059  -0.769  -0.261
  367TRP      C 5202   0.151  -0.434  -0.862
  367TRP      O 5203   0.030  -0.423  -0.889
  368ASP      N 5204   0.220  -0.544  -0.891
  368ASP     HN 5205   0.320  -0.551  -0.884
  368ASP     CA 5206   0.164  -0.672  -0.927
  368ASP     HA 5207   0.057  -0.668  -0.912
  368ASP     CB 5208   0.190  -0.710  -1.075
  368ASP    HB1 5209   0.148  -0.631  -1.140
  368ASP    HB2 5210   0.138  -0.805  -1.099
  368ASP     CG 5211   0.337  -0.726  -1.112
  368ASP    OD1 5212   0.425  -0.680  -1.040
  368ASP    OD2 5213   0.356  -0.783  -1.226
  368ASP      C 5214   0.219  -0.772  -0.825
  368ASP      O 5215   0.317  -0.751  -0.757
  369ASP      N 5216   0.144  -0.885  -0.810
  369ASP     HN 5217   0.068  -0.902  -0.871
  369ASP     CA 5218   0.164  -0.977  -0.701
  369ASP     HA 5219   0.225  -0.930  -0.624
  369ASP     CB 5220   0.027  -1.011  -0.639
  369ASP    HB1 5221  -0.038  -1.052  -0.719
  369ASP    HB2 5222  -0.020  -0.918  -0.601
  369ASP     CG 5223   0.023  -1.112  -0.526
  369ASP    OD1 5224   0.133  -1.168  -0.488
  369ASP    OD2 5225  -0.086  -1.148  -0.484
  369ASP      C 5226   0.242  -1.099  -0.747
  369ASP      O 5227   0.198  -1.177  -0.838
  370TYR      N 5228   0.355  -1.126  -0.685
  370TYR     HN 5229   0.378  -1.067  -0.606
  370TYR     CA 5230   0.446  -1.235  -0.715
  370TYR     HA 5231   0.429  -1.268  -0.817
  370TYR     CB 5232   0.593  -1.188  -0.698
  370TYR    HB1 5233   0.662  -1.272  -0.675
  370TYR    HB2 5234   0.600  -1.116  -0.614
  370TYR     CG 5235   0.645  -1.121  -0.823
  370TYR    CD1 5236   0.619  -0.986  -0.852
  370TYR    HD1 5237   0.553  -0.929  -0.788
  370TYR    CE1 5238   0.675  -0.924  -0.965
  370TYR    HE1 5239   0.652  -0.821  -0.987
  370TYR     CZ 5240   0.760  -0.997  -1.049
  370TYR     OH 5241   0.821  -0.934  -1.161
  370TYR     HH 5242   0.760  -0.867  -1.197
  370TYR    CD2 5243   0.728  -1.194  -0.911
  370TYR    HD2 5244   0.748  -1.298  -0.892
  370TYR    CE2 5245   0.785  -1.132  -1.023
  370TYR    HE2 5246   0.848  -1.189  -1.090
  370TYR      C 5247   0.422  -1.357  -0.629
  370TYR      O 5248   0.497  -1.456  -0.637
  371TYR      N 5249   0.318  -1.357  -0.544
  371TYR     HN 5250   0.259  -1.274  -0.535
  371TYR     CA 5251   0.293  -1.462  -0.447
  371TYR     HA 5252   0.363  -1.543  -0.462
  371TYR     CB 5253   0.308  -1.407  -0.303
  371TYR    HB1 5254   0.271  -1.480  -0.227
  371TYR    HB2 5255   0.251  -1.312  -0.291
  371TYR     CG 5256   0.454  -1.381  -0.275
  371TYR    CD1 5257   0.513  -1.260  -0.313
  371TYR    HD1 5258   0.453  -1.186  -0.363
  371TYR    CE1 5259   0.649  -1.236  -0.290
  371TYR    HE1 5260   0.693  -1.142  -0.320
  371TYR     CZ 5261   0.727  -1.334  -0.229
  371TYR     OH 5262   0.864  -1.309  -0.208
  371TYR     HH 5263   0.901  -1.383  -0.161
  371TYR    CD2 5264   0.533  -1.479  -0.213
  371TYR    HD2 5265   0.487  -1.572  -0.185
  371TYR    CE2 5266   0.669  -1.456  -0.190
  371TYR    HE2 5267   0.729  -1.531  -0.142
  371TYR      C 5268   0.157  -1.525  -0.460
  371TYR      O 5269   0.145  -1.648  -0.442
  372ALA      N 5270   0.052  -1.448  -0.489
  372ALA     HN 5271   0.062  -1.346  -0.488
  372ALA     CA 5272  -0.081  -1.502  -0.507
  372ALA     HA 5273  -0.077  -1.610  -0.515
  372ALA     CB 5274  -0.168  -1.462  -0.386
  372ALA    HB1 5275  -0.171  -1.352  -0.377
  372ALA    HB2 5276  -0.122  -1.502  -0.294
  372ALA    HB3 5277  -0.271  -1.502  -0.396
  372ALA      C 5278  -0.146  -1.454  -0.635
  372ALA      O 5279  -0.258  -1.498  -0.668
  373ASN      N 5280  -0.082  -1.364  -0.711
  373ASN     HN 5281   0.001  -1.322  -0.673
  373ASN     CA 5282  -0.120  -1.321  -0.845
  373ASN     HA 5283  -0.040  -1.257  -0.880
  373ASN     CB 5284  -0.134  -1.439  -0.945
  373ASN    HB1 5285  -0.159  -1.401  -1.046
  373ASN    HB2 5286  -0.216  -1.507  -0.915
  373ASN     CG 5287  -0.007  -1.523  -0.956
  373ASN    OD1 5288  -0.012  -1.647  -0.973
  373ASN    ND2 5289   0.112  -1.461  -0.942
  373ASN   HD21 5290   0.115  -1.362  -0.923
  373ASN   HD22 5291   0.195  -1.515  -0.944
  373ASN      C 5292  -0.240  -1.227  -0.844
  373ASN      O 5293  -0.303  -1.204  -0.948
  374MET      N 5294  -0.273  -1.170  -0.727
  374MET     HN 5295  -0.215  -1.188  -0.646
  374MET     CA 5296  -0.376  -1.070  -0.704
  374MET     HA 5297  -0.360  -1.033  -0.604
  374MET     CB 5298  -0.366  -0.949  -0.802
  374MET    HB1 5299  -0.433  -0.965  -0.889
  374MET    HB2 5300  -0.262  -0.944  -0.841
  374MET     CG 5301  -0.400  -0.814  -0.735
  374MET    HG1 5302  -0.500  -0.824  -0.688
  374MET    HG2 5303  -0.409  -0.737  -0.814
  374MET     SD 5304  -0.279  -0.761  -0.610
  374MET     CE 5305  -0.152  -0.706  -0.728
  374MET    HE1 5306  -0.191  -0.628  -0.796
  374MET    HE2 5307  -0.115  -0.790  -0.790
  374MET    HE3 5308  -0.064  -0.662  -0.674
  374MET      C 5309  -0.515  -1.132  -0.705
  374MET      O 5310  -0.618  -1.066  -0.703
  375LEU      N 5311  -0.521  -1.267  -0.697
  375LEU     HN 5312  -0.436  -1.319  -0.695
  375LEU     CA 5313  -0.644  -1.342  -0.714
  375LEU     HA 5314  -0.697  -1.303  -0.800
  375LEU     CB 5315  -0.611  -1.492  -0.734
  375LEU    HB1 5316  -0.704  -1.553  -0.741
  375LEU    HB2 5317  -0.553  -1.526  -0.645
  375LEU     CG 5318  -0.524  -1.524  -0.858
  375LEU     HG 5319  -0.432  -1.460  -0.854
  375LEU    CD1 5320  -0.478  -1.671  -0.856
  375LEU   HD11 5321  -0.566  -1.738  -0.864
  375LEU   HD12 5322  -0.423  -1.693  -0.762
  375LEU   HD13 5323  -0.411  -1.690  -0.942
  375LEU    CD2 5324  -0.595  -1.493  -0.991
  375LEU   HD21 5325  -0.622  -1.385  -0.996
  375LEU   HD22 5326  -0.687  -1.554  -1.001
  375LEU   HD23 5327  -0.527  -1.516  -1.076
  375LEU      C 5328  -0.735  -1.327  -0.594
  375LEU      O 5329  -0.857  -1.349  -0.600
  376TRP      N 5330  -0.679  -1.283  -0.480
  376TRP     HN 5331  -0.582  -1.259  -0.481
  376TRP     CA 5332  -0.749  -1.254  -0.357
  376TRP     HA 5333  -0.818  -1.334  -0.338
  376TRP     CB 5334  -0.650  -1.245  -0.238
  376TRP    HB1 5335  -0.607  -1.346  -0.223
  376TRP    HB2 5336  -0.705  -1.219  -0.145
  376TRP     CG 5337  -0.537  -1.148  -0.257
  376TRP    CD1 5338  -0.413  -1.177  -0.308
  376TRP    HD1 5339  -0.379  -1.277  -0.334
  376TRP    NE1 5340  -0.340  -1.062  -0.323
  376TRP    HE1 5341  -0.249  -1.055  -0.361
  376TRP    CE2 5342  -0.416  -0.956  -0.280
  376TRP    CD2 5343  -0.540  -1.006  -0.236
  376TRP    CE3 5344  -0.637  -0.918  -0.186
  376TRP    HE3 5345  -0.732  -0.953  -0.147
  376TRP    CZ3 5346  -0.609  -0.781  -0.186
  376TRP    HZ3 5347  -0.683  -0.711  -0.149
  376TRP    CZ2 5348  -0.388  -0.820  -0.279
  376TRP    HZ2 5349  -0.294  -0.781  -0.315
  376TRP    CH2 5350  -0.488  -0.734  -0.235
  376TRP    HH2 5351  -0.472  -0.627  -0.240
  376TRP      C 5352  -0.832  -1.126  -0.369
  376TRP      O 5353  -0.929  -1.110  -0.295
  377LEU      N 5354  -0.799  -1.038  -0.466
  377LEU     HN 5355  -0.722  -1.057  -0.527
  377LEU     CA 5356  -0.867  -0.913  -0.489
  377LEU     HA 5357  -0.915  -0.880  -0.398
  377LEU     CB 5358  -0.766  -0.806  -0.537
  377LEU    HB1 5359  -0.713  -0.843  -0.628
  377LEU    HB2 5360  -0.689  -0.793  -0.458
  377LEU     CG 5361  -0.824  -0.666  -0.572
  377LEU     HG 5362  -0.895  -0.677  -0.657
  377LEU    CD1 5363  -0.901  -0.604  -0.454
  377LEU   HD11 5364  -0.834  -0.592  -0.366
  377LEU   HD12 5365  -0.987  -0.667  -0.425
  377LEU   HD13 5366  -0.939  -0.503  -0.482
  377LEU    CD2 5367  -0.712  -0.571  -0.618
  377LEU   HD21 5368  -0.658  -0.613  -0.706
  377LEU   HD22 5369  -0.639  -0.554  -0.536
  377LEU   HD23 5370  -0.755  -0.473  -0.647
  377LEU      C 5371  -0.974  -0.931  -0.596
  377LEU      O 5372  -1.088  -0.889  -0.579
  378ASP      N 5373  -0.937  -0.992  -0.711
  378ASP     HN 5374  -0.845  -1.029  -0.723
  378ASP     CA 5375  -1.015  -0.979  -0.833
  378ASP     HA 5376  -1.106  -0.925  -0.812
  378ASP     CB 5377  -0.931  -0.895  -0.934
  378ASP    HB1 5378  -0.900  -0.802  -0.882
  378ASP    HB2 5379  -0.996  -0.866  -1.019
  378ASP     CG 5380  -0.805  -0.958  -0.992
  378ASP    OD1 5381  -0.788  -1.084  -0.977
  378ASP    OD2 5382  -0.730  -0.885  -1.058
  378ASP      C 5383  -1.061  -1.112  -0.890
  378ASP      O 5384  -1.125  -1.116  -0.999
  379SER      N 5385  -1.041  -1.225  -0.822
  379SER     HN 5386  -0.995  -1.222  -0.733
  379SER     CA 5387  -1.065  -1.355  -0.881
  379SER     HA 5388  -1.140  -1.347  -0.959
  379SER     CB 5389  -0.936  -1.416  -0.942
  379SER    HB1 5390  -0.865  -1.444  -0.861
  379SER    HB2 5391  -0.885  -1.338  -1.003
  379SER     OG 5392  -0.963  -1.530  -1.025
  379SER    HG1 5393  -1.006  -1.496  -1.106
  379SER      C 5394  -1.125  -1.446  -0.774
  379SER      O 5395  -1.164  -1.408  -0.668
  380THR      N 5396  -1.137  -1.577  -0.811
  380THR     HN 5397  -1.099  -1.602  -0.899
  380THR     CA 5398  -1.172  -1.681  -0.715
  380THR     HA 5399  -1.237  -1.639  -0.640
  380THR     CB 5400  -1.242  -1.800  -0.779
  380THR     HB 5401  -1.172  -1.856  -0.845
  380THR    OG1 5402  -1.349  -1.755  -0.861
  380THR    HG1 5403  -1.318  -1.672  -0.900
  380THR    CG2 5404  -1.299  -1.894  -0.672
  380THR   HG21 5405  -1.365  -1.839  -0.602
  380THR   HG22 5406  -1.217  -1.940  -0.612
  380THR   HG23 5407  -1.357  -1.976  -0.718
  380THR      C 5408  -1.046  -1.728  -0.647
  380THR      O 5409  -0.950  -1.772  -0.715
  381TYR      N 5410  -1.039  -1.720  -0.515
  381TYR     HN 5411  -1.119  -1.688  -0.462
  381TYR     CA 5412  -0.921  -1.751  -0.439
  381TYR     HA 5413  -0.859  -1.817  -0.497
  381TYR     CB 5414  -0.839  -1.623  -0.409
  381TYR    HB1 5415  -0.896  -1.554  -0.344
  381TYR    HB2 5416  -0.820  -1.572  -0.505
  381TYR     CG 5417  -0.705  -1.653  -0.346
  381TYR    CD1 5418  -0.599  -1.696  -0.427
  381TYR    HD1 5419  -0.614  -1.709  -0.533
  381TYR    CE1 5420  -0.472  -1.720  -0.372
  381TYR    HE1 5421  -0.390  -1.749  -0.437
  381TYR     CZ 5422  -0.451  -1.704  -0.235
  381TYR     OH 5423  -0.324  -1.731  -0.180
  381TYR     HH 5424  -0.264  -1.745  -0.253
  381TYR    CD2 5425  -0.683  -1.636  -0.208
  381TYR    HD2 5426  -0.763  -1.602  -0.145
  381TYR    CE2 5427  -0.557  -1.664  -0.153
  381TYR    HE2 5428  -0.543  -1.653  -0.047
  381TYR      C 5429  -0.965  -1.816  -0.307
  381TYR      O 5430  -1.054  -1.768  -0.243
  382PRO      N 5431  -0.900  -1.926  -0.265
  382PRO     CD 5432  -0.922  -1.969  -0.126
  382PRO    HD1 5433  -1.025  -2.009  -0.119
  382PRO    HD2 5434  -0.908  -1.884  -0.055
  382PRO     CA 5435  -0.825  -2.025  -0.340
  382PRO     HA 5436  -0.730  -1.978  -0.364
  382PRO     CB 5437  -0.808  -2.143  -0.243
  382PRO    HB1 5438  -0.713  -2.197  -0.259
  382PRO    HB2 5439  -0.892  -2.215  -0.255
  382PRO     CG 5440  -0.818  -2.079  -0.105
  382PRO    HG1 5441  -0.850  -2.150  -0.026
  382PRO    HG2 5442  -0.722  -2.032  -0.076
  382PRO      C 5443  -0.881  -2.068  -0.474
  382PRO      O 5444  -1.003  -2.063  -0.495
  383THR      N 5445  -0.796  -2.108  -0.568
  383THR     HN 5446  -0.698  -2.120  -0.551
  383THR     CA 5447  -0.832  -2.134  -0.707
  383THR     HA 5448  -0.899  -2.055  -0.740
  383THR     CB 5449  -0.710  -2.134  -0.797
  383THR     HB 5450  -0.735  -2.167  -0.901
  383THR    OG1 5451  -0.608  -2.217  -0.741
  383THR    HG1 5452  -0.540  -2.231  -0.808
  383THR    CG2 5453  -0.654  -1.992  -0.802
  383THR   HG21 5454  -0.619  -1.959  -0.701
  383THR   HG22 5455  -0.731  -1.920  -0.836
  383THR   HG23 5456  -0.567  -1.985  -0.870
  383THR      C 5457  -0.907  -2.264  -0.726
  383THR      O 5458  -0.971  -2.286  -0.829
  384ASN      N 5459  -0.904  -2.352  -0.624
  384ASN     HN 5460  -0.849  -2.333  -0.543
  384ASN     CA 5461  -0.975  -2.478  -0.624
  384ASN     HA 5462  -0.993  -2.509  -0.726
  384ASN     CB 5463  -0.892  -2.588  -0.552
  384ASN    HB1 5464  -0.794  -2.597  -0.604
  384ASN    HB2 5465  -0.944  -2.686  -0.561
  384ASN     CG 5466  -0.865  -2.558  -0.405
  384ASN    OD1 5467  -0.793  -2.458  -0.374
  384ASN    ND2 5468  -0.916  -2.637  -0.313
  384ASN   HD21 5469  -0.904  -2.613  -0.216
  384ASN   HD22 5470  -0.975  -2.714  -0.339
  384ASN      C 5471  -1.111  -2.463  -0.559
  384ASN      O 5472  -1.189  -2.560  -0.558
  385GLU      N 5473  -1.147  -2.344  -0.508
  385GLU     HN 5474  -1.087  -2.264  -0.514
  385GLU     CA 5475  -1.278  -2.318  -0.453
  385GLU     HA 5476  -1.312  -2.409  -0.405
  385GLU     CB 5477  -1.280  -2.207  -0.345
  385GLU    HB1 5478  -1.384  -2.184  -0.315
  385GLU    HB2 5479  -1.237  -2.114  -0.389
  385GLU     CG 5480  -1.202  -2.244  -0.216
  385GLU    HG1 5481  -1.195  -2.154  -0.152
  385GLU    HG2 5482  -1.100  -2.277  -0.241
  385GLU     CD 5483  -1.268  -2.352  -0.130
  385GLU    OE1 5484  -1.383  -2.395  -0.166
  385GLU    OE2 5485  -1.210  -2.387  -0.025
  385GLU      C 5486  -1.380  -2.289  -0.559
  385GLU      O 5487  -1.349  -2.254  -0.677
  386THR      N 5488  -1.507  -2.302  -0.525
  386THR     HN 5489  -1.526  -2.324  -0.429
  386THR     CA 5490  -1.620  -2.286  -0.615
  386THR     HA 5491  -1.584  -2.274  -0.716
  386THR     CB 5492  -1.718  -2.403  -0.612
  386THR     HB 5493  -1.794  -2.391  -0.692
  386THR    OG1 5494  -1.787  -2.414  -0.487
  386THR    HG1 5495  -1.718  -2.406  -0.419
  386THR    CG2 5496  -1.642  -2.533  -0.640
  386THR   HG21 5497  -1.569  -2.556  -0.560
  386THR   HG22 5498  -1.586  -2.524  -0.736
  386THR   HG23 5499  -1.712  -2.619  -0.649
  386THR      C 5500  -1.692  -2.157  -0.576
  386THR      O 5501  -1.666  -2.094  -0.480
  387SER      N 5502  -1.796  -2.121  -0.659
  387SER     HN 5503  -1.816  -2.168  -0.742
  387SER     CA 5504  -1.879  -2.007  -0.627
  387SER     HA 5505  -1.817  -1.927  -0.588
  387SER     CB 5506  -1.952  -1.957  -0.754
  387SER    HB1 5507  -1.873  -1.925  -0.827
  387SER    HB2 5508  -2.014  -1.867  -0.732
  387SER     OG 5509  -2.031  -2.060  -0.816
  387SER    HG1 5510  -2.089  -2.099  -0.750
  387SER      C 5511  -1.985  -2.035  -0.522
  387SER      O 5512  -2.057  -1.948  -0.479
  388SER      N 5513  -1.998  -2.165  -0.481
  388SER     HN 5514  -1.939  -2.236  -0.517
  388SER     CA 5515  -2.087  -2.201  -0.371
  388SER     HA 5516  -2.172  -2.135  -0.373
  388SER     CB 5517  -2.144  -2.346  -0.384
  388SER    HB1 5518  -2.191  -2.357  -0.484
  388SER    HB2 5519  -2.224  -2.358  -0.307
  388SER     OG 5520  -2.048  -2.450  -0.364
  388SER    HG1 5521  -1.974  -2.439  -0.426
  388SER      C 5522  -2.021  -2.183  -0.235
  388SER      O 5523  -2.086  -2.177  -0.134
  389THR      N 5524  -1.886  -2.171  -0.236
  389THR     HN 5525  -1.834  -2.173  -0.320
  389THR     CA 5526  -1.806  -2.150  -0.116
  389THR     HA 5527  -1.845  -2.216  -0.040
  389THR     CB 5528  -1.659  -2.187  -0.136
  389THR     HB 5529  -1.612  -2.119  -0.209
  389THR    OG1 5530  -1.643  -2.320  -0.187
  389THR    HG1 5531  -1.549  -2.344  -0.172
  389THR    CG2 5532  -1.584  -2.181  -0.002
  389THR   HG21 5533  -1.633  -2.245   0.075
  389THR   HG22 5534  -1.580  -2.077   0.037
  389THR   HG23 5535  -1.479  -2.216  -0.013
  389THR      C 5536  -1.815  -2.003  -0.071
  389THR      O 5537  -1.782  -1.916  -0.153
  390PRO      N 5538  -1.859  -1.967   0.050
  390PRO     CD 5539  -1.912  -2.059   0.151
  390PRO    HD1 5540  -1.826  -2.103   0.206
  390PRO    HD2 5541  -1.975  -2.138   0.106
  390PRO     CA 5542  -1.873  -1.827   0.093
  390PRO     HA 5543  -1.947  -1.782   0.030
  390PRO     CB 5544  -1.920  -1.837   0.239
  390PRO    HB1 5545  -1.982  -1.750   0.269
  390PRO    HB2 5546  -1.833  -1.844   0.308
  390PRO     CG 5547  -1.996  -1.970   0.243
  390PRO    HG1 5548  -2.004  -2.011   0.346
  390PRO    HG2 5549  -2.097  -1.958   0.199
  390PRO      C 5550  -1.748  -1.742   0.081
  390PRO      O 5551  -1.645  -1.774   0.140
  391GLY      N 5552  -1.753  -1.631   0.004
  391GLY     HN 5553  -1.837  -1.609  -0.045
  391GLY     CA 5554  -1.645  -1.533  -0.003
  391GLY    HA1 5555  -1.612  -1.511   0.097
  391GLY    HA2 5556  -1.683  -1.446  -0.053
  391GLY      C 5557  -1.523  -1.579  -0.080
  391GLY      O 5558  -1.420  -1.512  -0.080
  392ALA      N 5559  -1.533  -1.695  -0.149
  392ALA     HN 5560  -1.614  -1.752  -0.139
  392ALA     CA 5561  -1.428  -1.747  -0.236
  392ALA     HA 5562  -1.336  -1.748  -0.180
  392ALA     CB 5563  -1.460  -1.891  -0.280
  392ALA    HB1 5564  -1.556  -1.896  -0.336
  392ALA    HB2 5565  -1.468  -1.957  -0.191
  392ALA    HB3 5566  -1.380  -1.930  -0.345
  392ALA      C 5567  -1.406  -1.662  -0.358
  392ALA      O 5568  -1.292  -1.641  -0.403
  393VAL      N 5569  -1.514  -1.609  -0.416
  393VAL     HN 5570  -1.604  -1.625  -0.374
  393VAL     CA 5571  -1.511  -1.528  -0.536
  393VAL     HA 5572  -1.423  -1.552  -0.593
  393VAL     CB 5573  -1.634  -1.551  -0.623
  393VAL     HB 5574  -1.726  -1.518  -0.571
  393VAL    CG1 5575  -1.618  -1.474  -0.756
  393VAL   HG11 5576  -1.526  -1.507  -0.809
  393VAL   HG12 5577  -1.611  -1.364  -0.739
  393VAL   HG13 5578  -1.705  -1.493  -0.822
  393VAL    CG2 5579  -1.651  -1.702  -0.651
  393VAL   HG21 5580  -1.671  -1.758  -0.558
  393VAL   HG22 5581  -1.558  -1.743  -0.698
  393VAL   HG23 5582  -1.735  -1.719  -0.721
  393VAL      C 5583  -1.506  -1.382  -0.494
  393VAL      O 5584  -1.591  -1.334  -0.425
  394ARG      N 5585  -1.399  -1.310  -0.540
  394ARG     HN 5586  -1.326  -1.351  -0.592
  394ARG     CA 5587  -1.381  -1.170  -0.505
  394ARG     HA 5588  -1.461  -1.135  -0.441
  394ARG     CB 5589  -1.245  -1.150  -0.433
  394ARG    HB1 5590  -1.239  -1.043  -0.400
  394ARG    HB2 5591  -1.161  -1.166  -0.504
  394ARG     CG 5592  -1.223  -1.239  -0.309
  394ARG    HG1 5593  -1.321  -1.270  -0.267
  394ARG    HG2 5594  -1.173  -1.177  -0.231
  394ARG     CD 5595  -1.135  -1.362  -0.336
  394ARG    HD1 5596  -1.033  -1.333  -0.370
  394ARG    HD2 5597  -1.181  -1.423  -0.418
  394ARG     NE 5598  -1.129  -1.449  -0.216
  394ARG     HE 5599  -1.177  -1.534  -0.214
  394ARG     CZ 5600  -1.047  -1.425  -0.106
  394ARG    NH1 5601  -0.975  -1.322  -0.094
  394ARG   HH11 5602  -0.984  -1.242  -0.155
  394ARG   HH12 5603  -0.932  -1.301  -0.003
  394ARG    NH2 5604  -1.044  -1.520  -0.015
  394ARG   HH21 5605  -1.088  -1.606  -0.029
  394ARG   HH22 5606  -0.977  -1.507   0.061
  394ARG      C 5607  -1.385  -1.081  -0.630
  394ARG      O 5608  -1.378  -0.961  -0.625
  395GLY      N 5609  -1.401  -1.144  -0.749
  395GLY     HN 5610  -1.407  -1.242  -0.756
  395GLY     CA 5611  -1.411  -1.067  -0.872
  395GLY    HA1 5612  -1.318  -1.016  -0.889
  395GLY    HA2 5613  -1.495  -0.999  -0.865
  395GLY      C 5614  -1.437  -1.156  -0.989
  395GLY      O 5615  -1.471  -1.276  -0.973
  396SER      N 5616  -1.426  -1.103  -1.110
  396SER     HN 5617  -1.397  -1.007  -1.120
  396SER     CA 5618  -1.461  -1.173  -1.233
  396SER     HA 5619  -1.515  -1.264  -1.208
  396SER     CB 5620  -1.553  -1.087  -1.324
  396SER    HB1 5621  -1.643  -1.060  -1.263
  396SER    HB2 5622  -1.587  -1.145  -1.412
  396SER     OG 5623  -1.492  -0.965  -1.367
  396SER    HG1 5624  -1.412  -0.989  -1.416
  396SER      C 5625  -1.340  -1.215  -1.312
  396SER      O 5626  -1.356  -1.277  -1.420
  397CYS      N 5627  -1.218  -1.186  -1.268
  397CYS     HN 5628  -1.204  -1.140  -1.179
  397CYS     CA 5629  -1.096  -1.230  -1.333
  397CYS     HA 5630  -1.105  -1.201  -1.437
  397CYS     CB 5631  -0.968  -1.163  -1.277
  397CYS    HB1 5632  -0.878  -1.201  -1.329
  397CYS    HB2 5633  -0.956  -1.189  -1.169
  397CYS     SG 5634  -0.972  -0.982  -1.294
  397CYS      C 5635  -1.076  -1.380  -1.331
  397CYS      O 5636  -1.115  -1.451  -1.238
  398SER      N 5637  -1.012  -1.433  -1.436
  398SER     HN 5638  -0.979  -1.372  -1.507
  398SER     CA 5639  -0.975  -1.574  -1.445
  398SER     HA 5640  -1.064  -1.633  -1.433
  398SER     CB 5641  -0.908  -1.608  -1.582
  398SER    HB1 5642  -0.811  -1.554  -1.589
  398SER    HB2 5643  -0.976  -1.567  -1.661
  398SER     OG 5644  -0.890  -1.749  -1.602
  398SER    HG1 5645  -0.810  -1.765  -1.655
  398SER      C 5646  -0.875  -1.613  -1.337
  398SER      O 5647  -0.788  -1.538  -1.301
  399THR      N 5648  -0.883  -1.740  -1.291
  399THR     HN 5649  -0.955  -1.802  -1.321
  399THR     CA 5650  -0.791  -1.796  -1.192
  399THR     HA 5651  -0.783  -1.725  -1.110
  399THR     CB 5652  -0.839  -1.929  -1.137
  399THR     HB 5653  -0.760  -1.979  -1.075
  399THR    OG1 5654  -0.882  -2.017  -1.241
  399THR    HG1 5655  -0.910  -2.097  -1.194
  399THR    CG2 5656  -0.959  -1.903  -1.045
  399THR   HG21 5657  -1.042  -1.855  -1.101
  399THR   HG22 5658  -0.929  -1.833  -0.964
  399THR   HG23 5659  -0.996  -1.996  -0.998
  399THR      C 5660  -0.650  -1.817  -1.244
  399THR      O 5661  -0.558  -1.849  -1.172
  400SER      N 5662  -0.635  -1.801  -1.378
  400SER     HN 5663  -0.715  -1.780  -1.431
  400SER     CA 5664  -0.508  -1.812  -1.448
  400SER     HA 5665  -0.437  -1.866  -1.387
  400SER     CB 5666  -0.531  -1.886  -1.583
  400SER    HB1 5667  -0.585  -1.981  -1.562
  400SER    HB2 5668  -0.432  -1.912  -1.627
  400SER     OG 5669  -0.607  -1.808  -1.678
  400SER    HG1 5670  -0.541  -1.745  -1.711
  400SER      C 5671  -0.450  -1.676  -1.479
  400SER      O 5672  -0.355  -1.665  -1.557
  401SER      N 5673  -0.509  -1.567  -1.428
  401SER     HN 5674  -0.582  -1.576  -1.360
  401SER     CA 5675  -0.464  -1.431  -1.456
  401SER     HA 5676  -0.414  -1.431  -1.552
  401SER     CB 5677  -0.580  -1.328  -1.467
  401SER    HB1 5678  -0.655  -1.365  -1.539
  401SER    HB2 5679  -0.541  -1.231  -1.504
  401SER     OG 5680  -0.646  -1.302  -1.343
  401SER    HG1 5681  -0.679  -1.385  -1.303
  401SER      C 5682  -0.361  -1.384  -1.355
  401SER      O 5683  -0.338  -1.446  -1.253
  402GLY      N 5684  -0.294  -1.271  -1.388
  402GLY     HN 5685  -0.308  -1.226  -1.475
  402GLY     CA 5686  -0.213  -1.198  -1.291
  402GLY    HA1 5687  -0.264  -1.196  -1.195
  402GLY    HA2 5688  -0.197  -1.100  -1.331
  402GLY      C 5689  -0.076  -1.254  -1.267
  402GLY      O 5690  -0.012  -1.225  -1.168
  403VAL      N 5691  -0.027  -1.337  -1.361
  403VAL     HN 5692  -0.085  -1.365  -1.436
  403VAL     CA 5693   0.110  -1.385  -1.361
  403VAL     HA 5694   0.131  -1.424  -1.263
  403VAL     CB 5695   0.129  -1.500  -1.460
  403VAL     HB 5696   0.096  -1.467  -1.562
  403VAL    CG1 5697   0.278  -1.542  -1.469
  403VAL   HG11 5698   0.316  -1.569  -1.368
  403VAL   HG12 5699   0.341  -1.462  -1.512
  403VAL   HG13 5700   0.287  -1.631  -1.535
  403VAL    CG2 5701   0.041  -1.619  -1.417
  403VAL   HG21 5702  -0.067  -1.592  -1.417
  403VAL   HG22 5703   0.068  -1.651  -1.314
  403VAL   HG23 5704   0.056  -1.704  -1.486
  403VAL      C 5705   0.205  -1.270  -1.395
  403VAL      O 5706   0.192  -1.220  -1.509
  404PRO      N 5707   0.296  -1.223  -1.309
  404PRO     CD 5708   0.319  -1.280  -1.175
  404PRO    HD1 5709   0.373  -1.376  -1.183
  404PRO    HD2 5710   0.223  -1.294  -1.120
  404PRO     CA 5711   0.377  -1.103  -1.328
  404PRO     HA 5712   0.311  -1.018  -1.314
  404PRO     CB 5713   0.480  -1.108  -1.216
  404PRO    HB1 5714   0.513  -1.005  -1.188
  404PRO    HB2 5715   0.569  -1.169  -1.242
  404PRO     CG 5716   0.403  -1.176  -1.102
  404PRO    HG1 5717   0.470  -1.220  -1.026
  404PRO    HG2 5718   0.337  -1.100  -1.054
  404PRO      C 5719   0.438  -1.083  -1.465
  404PRO      O 5720   0.410  -0.985  -1.533
  405ALA      N 5721   0.514  -1.183  -1.513
  405ALA     HN 5722   0.533  -1.261  -1.453
  405ALA     CA 5723   0.583  -1.176  -1.640
  405ALA     HA 5724   0.649  -1.090  -1.634
  405ALA     CB 5725   0.663  -1.306  -1.664
  405ALA    HB1 5726   0.596  -1.394  -1.664
  405ALA    HB2 5727   0.738  -1.319  -1.582
  405ALA    HB3 5728   0.716  -1.302  -1.760
  405ALA      C 5729   0.489  -1.154  -1.757
  405ALA      O 5730   0.520  -1.079  -1.852
  406GLN      N 5731   0.373  -1.222  -1.756
  406GLN     HN 5732   0.350  -1.276  -1.675
  406GLN     CA 5733   0.269  -1.206  -1.854
  406GLN     HA 5734   0.315  -1.214  -1.951
  406GLN     CB 5735   0.163  -1.318  -1.842
  406GLN    HB1 5736   0.115  -1.314  -1.742
  406GLN    HB2 5737   0.218  -1.415  -1.848
  406GLN     CG 5738   0.054  -1.312  -1.952
  406GLN    HG1 5739   0.104  -1.303  -2.051
  406GLN    HG2 5740  -0.012  -1.224  -1.936
  406GLN     CD 5741  -0.033  -1.438  -1.951
  406GLN    OE1 5742  -0.049  -1.509  -1.853
  406GLN    NE2 5743  -0.095  -1.469  -2.069
  406GLN   HE21 5744  -0.075  -1.412  -2.151
  406GLN   HE22 5745  -0.143  -1.554  -2.072
  406GLN      C 5746   0.201  -1.069  -1.851
  406GLN      O 5747   0.184  -1.007  -1.957
  407VAL      N 5748   0.163  -1.017  -1.733
  407VAL     HN 5749   0.184  -1.064  -1.646
  407VAL     CA 5750   0.095  -0.888  -1.721
  407VAL     HA 5751   0.021  -0.886  -1.799
  407VAL     CB 5752   0.018  -0.867  -1.591
  407VAL     HB 5753  -0.031  -0.766  -1.594
  407VAL    CG1 5754  -0.092  -0.974  -1.580
  407VAL   HG11 5755  -0.047  -1.074  -1.563
  407VAL   HG12 5756  -0.154  -0.978  -1.671
  407VAL   HG13 5757  -0.157  -0.951  -1.493
  407VAL    CG2 5758   0.109  -0.868  -1.467
  407VAL   HG21 5759   0.190  -0.793  -1.472
  407VAL   HG22 5760   0.155  -0.968  -1.453
  407VAL   HG23 5761   0.050  -0.846  -1.375
  407VAL      C 5762   0.186  -0.771  -1.754
  407VAL      O 5763   0.146  -0.677  -1.823
  408GLU      N 5764   0.314  -0.776  -1.713
  408GLU     HN 5765   0.345  -0.850  -1.651
  408GLU     CA 5766   0.415  -0.679  -1.750
  408GLU     HA 5767   0.383  -0.581  -1.716
  408GLU     CB 5768   0.548  -0.716  -1.683
  408GLU    HB1 5769   0.633  -0.660  -1.728
  408GLU    HB2 5770   0.563  -0.825  -1.704
  408GLU     CG 5771   0.556  -0.693  -1.530
  408GLU    HG1 5772   0.462  -0.724  -1.479
  408GLU    HG2 5773   0.572  -0.586  -1.507
  408GLU     CD 5774   0.671  -0.775  -1.469
  408GLU    OE1 5775   0.738  -0.844  -1.552
  408GLU    OE2 5776   0.704  -0.766  -1.350
  408GLU      C 5777   0.438  -0.671  -1.900
  408GLU      O 5778   0.454  -0.564  -1.960
  409SER      N 5779   0.443  -0.788  -1.967
  409SER     HN 5780   0.432  -0.873  -1.914
  409SER     CA 5781   0.460  -0.798  -2.110
  409SER     HA 5782   0.540  -0.731  -2.138
  409SER     CB 5783   0.499  -0.942  -2.151
  409SER    HB1 5784   0.414  -1.012  -2.129
  409SER    HB2 5785   0.584  -0.974  -2.086
  409SER     OG 5786   0.539  -0.952  -2.287
  409SER    HG1 5787   0.460  -0.938  -2.342
  409SER      C 5788   0.340  -0.754  -2.192
  409SER      O 5789   0.353  -0.696  -2.299
  410GLN      N 5790   0.218  -0.785  -2.143
  410GLN     HN 5791   0.208  -0.832  -2.056
  410GLN     CA 5792   0.096  -0.760  -2.219
  410GLN     HA 5793   0.118  -0.763  -2.325
  410GLN     CB 5794  -0.008  -0.870  -2.188
  410GLN    HB1 5795  -0.108  -0.839  -2.227
  410GLN    HB2 5796  -0.016  -0.879  -2.077
  410GLN     CG 5797   0.027  -1.008  -2.251
  410GLN    HG1 5798   0.124  -1.043  -2.211
  410GLN    HG2 5799   0.035  -0.996  -2.361
  410GLN     CD 5800  -0.077  -1.115  -2.223
  410GLN    OE1 5801  -0.078  -1.225  -2.284
  410GLN    NE2 5802  -0.173  -1.092  -2.132
  410GLN   HE21 5803  -0.230  -1.163  -2.099
  410GLN   HE22 5804  -0.173  -0.998  -2.088
  410GLN      C 5805   0.033  -0.625  -2.193
  410GLN      O 5806  -0.043  -0.574  -2.276
  411SER      N 5807   0.066  -0.561  -2.080
  411SER     HN 5808   0.125  -0.605  -2.010
  411SER     CA 5809   0.011  -0.432  -2.044
  411SER     HA 5810  -0.018  -0.380  -2.134
  411SER     CB 5811  -0.116  -0.445  -1.955
  411SER    HB1 5812  -0.153  -0.346  -1.923
  411SER    HB2 5813  -0.090  -0.503  -1.863
  411SER     OG 5814  -0.221  -0.513  -2.025
  411SER    HG1 5815  -0.252  -0.456  -2.096
  411SER      C 5816   0.114  -0.342  -1.977
  411SER      O 5817   0.089  -0.296  -1.866
  412PRO      N 5818   0.227  -0.307  -2.039
  412PRO     CD 5819   0.263  -0.342  -2.177
  412PRO    HD1 5820   0.179  -0.321  -2.247
  412PRO    HD2 5821   0.292  -0.449  -2.181
  412PRO     CA 5822   0.331  -0.227  -1.974
  412PRO     HA 5823   0.352  -0.266  -1.875
  412PRO     CB 5824   0.450  -0.237  -2.071
  412PRO    HB1 5825   0.508  -0.329  -2.045
  412PRO    HB2 5826   0.519  -0.150  -2.066
  412PRO     CG 5827   0.386  -0.256  -2.209
  412PRO    HG1 5828   0.353  -0.157  -2.249
  412PRO    HG2 5829   0.452  -0.306  -2.283
  412PRO      C 5830   0.289  -0.082  -1.958
  412PRO      O 5831   0.346  -0.012  -1.875
  413ASN      N 5832   0.193  -0.036  -2.039
  413ASN     HN 5833   0.151  -0.099  -2.104
  413ASN     CA 5834   0.148   0.102  -2.043
  413ASN     HA 5835   0.227   0.166  -2.004
  413ASN     CB 5836   0.112   0.144  -2.188
  413ASN    HB1 5837   0.083   0.251  -2.192
  413ASN    HB2 5838   0.027   0.083  -2.227
  413ASN     CG 5839   0.230   0.122  -2.283
  413ASN    OD1 5840   0.224   0.042  -2.376
  413ASN    ND2 5841   0.343   0.192  -2.258
  413ASN   HD21 5842   0.422   0.176  -2.316
  413ASN   HD22 5843   0.354   0.244  -2.172
  413ASN      C 5844   0.028   0.122  -1.952
  413ASN      O 5845  -0.038   0.225  -1.956
  414ALA      N 5846  -0.002   0.021  -1.867
  414ALA     HN 5847   0.054  -0.062  -1.867
  414ALA     CA 5848  -0.092   0.031  -1.755
  414ALA     HA 5849  -0.188   0.062  -1.793
  414ALA     CB 5850  -0.104  -0.105  -1.685
  414ALA    HB1 5851  -0.005  -0.142  -1.651
  414ALA    HB2 5852  -0.147  -0.181  -1.755
  414ALA    HB3 5853  -0.171  -0.099  -1.597
  414ALA      C 5854  -0.045   0.136  -1.654
  414ALA      O 5855   0.073   0.159  -1.635
  415LYS      N 5856  -0.140   0.203  -1.587
  415LYS     HN 5857  -0.237   0.182  -1.596
  415LYS     CA 5858  -0.102   0.305  -1.492
  415LYS     HA 5859  -0.021   0.267  -1.431
  415LYS     CB 5860  -0.060   0.439  -1.558
  415LYS    HB1 5861   0.026   0.419  -1.626
  415LYS    HB2 5862  -0.022   0.507  -1.479
  415LYS     CG 5863  -0.169   0.513  -1.637
  415LYS    HG1 5864  -0.260   0.525  -1.575
  415LYS    HG2 5865  -0.196   0.453  -1.727
  415LYS     CD 5866  -0.119   0.652  -1.679
  415LYS    HD1 5867  -0.032   0.639  -1.747
  415LYS    HD2 5868  -0.080   0.703  -1.587
  415LYS     CE 5869  -0.227   0.738  -1.744
  415LYS    HE1 5870  -0.316   0.744  -1.678
  415LYS    HE2 5871  -0.258   0.693  -1.842
  415LYS     NZ 5872  -0.177   0.874  -1.768
  415LYS    HZ1 5873  -0.090   0.871  -1.825
  415LYS    HZ2 5874  -0.152   0.918  -1.676
  415LYS    HZ3 5875  -0.249   0.932  -1.815
  415LYS      C 5876  -0.217   0.330  -1.398
  415LYS      O 5877  -0.333   0.299  -1.426
  416VAL      N 5878  -0.186   0.393  -1.284
  416VAL     HN 5879  -0.090   0.417  -1.265
  416VAL     CA 5880  -0.284   0.442  -1.190
  416VAL     HA 5881  -0.384   0.429  -1.231
  416VAL     CB 5882  -0.278   0.371  -1.055
  416VAL     HB 5883  -0.283   0.261  -1.076
  416VAL    CG1 5884  -0.146   0.398  -0.981
  416VAL   HG11 5885  -0.138   0.504  -0.950
  416VAL   HG12 5886  -0.059   0.372  -1.045
  416VAL   HG13 5887  -0.141   0.335  -0.889
  416VAL    CG2 5888  -0.401   0.408  -0.969
  416VAL   HG21 5889  -0.496   0.389  -1.023
  416VAL   HG22 5890  -0.398   0.515  -0.938
  416VAL   HG23 5891  -0.402   0.347  -0.876
  416VAL      C 5892  -0.260   0.591  -1.179
  416VAL      O 5893  -0.148   0.640  -1.191
  417THR      N 5894  -0.368   0.669  -1.163
  417THR     HN 5895  -0.459   0.629  -1.155
  417THR     CA 5896  -0.354   0.812  -1.137
  417THR     HA 5897  -0.252   0.835  -1.110
  417THR     CB 5898  -0.393   0.901  -1.255
  417THR     HB 5899  -0.500   0.883  -1.282
  417THR    OG1 5900  -0.312   0.871  -1.368
  417THR    HG1 5901  -0.315   0.775  -1.373
  417THR    CG2 5902  -0.372   1.049  -1.223
  417THR   HG21 5903  -0.267   1.068  -1.190
  417THR   HG22 5904  -0.440   1.084  -1.143
  417THR   HG23 5905  -0.390   1.111  -1.313
  417THR      C 5906  -0.439   0.845  -1.018
  417THR      O 5907  -0.559   0.820  -1.018
  418PHE      N 5908  -0.377   0.903  -0.915
  418PHE     HN 5909  -0.280   0.926  -0.921
  418PHE     CA 5910  -0.444   0.952  -0.796
  418PHE     HA 5911  -0.547   0.917  -0.794
  418PHE     CB 5912  -0.372   0.912  -0.664
  418PHE    HB1 5913  -0.426   0.951  -0.576
  418PHE    HB2 5914  -0.269   0.954  -0.663
  418PHE     CG 5915  -0.362   0.763  -0.651
  418PHE    CD1 5916  -0.474   0.688  -0.611
  418PHE    HD1 5917  -0.568   0.738  -0.594
  418PHE    CE1 5918  -0.466   0.550  -0.594
  418PHE    HE1 5919  -0.553   0.493  -0.563
  418PHE     CZ 5920  -0.344   0.484  -0.615
  418PHE     HZ 5921  -0.336   0.378  -0.600
  418PHE    CD2 5922  -0.240   0.696  -0.670
  418PHE    HD2 5923  -0.152   0.752  -0.698
  418PHE    CE2 5924  -0.231   0.557  -0.653
  418PHE    HE2 5925  -0.137   0.506  -0.667
  418PHE      C 5926  -0.445   1.102  -0.807
  418PHE      O 5927  -0.353   1.163  -0.865
  419SER      N 5928  -0.548   1.169  -0.757
  419SER     HN 5929  -0.626   1.122  -0.712
  419SER     CA 5930  -0.551   1.314  -0.761
  419SER     HA 5931  -0.453   1.348  -0.729
  419SER     CB 5932  -0.583   1.373  -0.902
  419SER    HB1 5933  -0.500   1.345  -0.970
  419SER    HB2 5934  -0.587   1.484  -0.899
  419SER     OG 5935  -0.704   1.321  -0.957
  419SER    HG1 5936  -0.696   1.225  -0.950
  419SER      C 5937  -0.648   1.365  -0.659
  419SER      O 5938  -0.725   1.291  -0.601
  420ASN      N 5939  -0.643   1.497  -0.630
  420ASN     HN 5940  -0.570   1.551  -0.672
  420ASN     CA 5941  -0.746   1.567  -0.553
  420ASN     HA 5942  -0.712   1.669  -0.546
  420ASN     CB 5943  -0.882   1.563  -0.629
  420ASN    HB1 5944  -0.928   1.463  -0.617
  420ASN    HB2 5945  -0.863   1.578  -0.737
  420ASN     CG 5946  -0.982   1.670  -0.585
  420ASN    OD1 5947  -0.951   1.773  -0.525
  420ASN    ND2 5948  -1.111   1.646  -0.619
  420ASN   HD21 5949  -1.133   1.559  -0.665
  420ASN   HD22 5950  -1.184   1.696  -0.571
  420ASN      C 5951  -0.759   1.517  -0.410
  420ASN      O 5952  -0.868   1.496  -0.359
  421ILE      N 5953  -0.645   1.498  -0.341
  421ILE     HN 5954  -0.556   1.510  -0.384
  421ILE     CA 5955  -0.644   1.460  -0.201
  421ILE     HA 5956  -0.711   1.375  -0.190
  421ILE     CB 5957  -0.506   1.412  -0.154
  421ILE     HB 5958  -0.431   1.490  -0.179
  421ILE    CG2 5959  -0.506   1.391  -0.000
  421ILE   HG21 5960  -0.590   1.325   0.029
  421ILE   HG22 5961  -0.516   1.487   0.055
  421ILE   HG23 5962  -0.411   1.344   0.033
  421ILE    CG1 5963  -0.468   1.281  -0.229
  421ILE   HG11 5964  -0.492   1.291  -0.337
  421ILE   HG12 5965  -0.532   1.199  -0.189
  421ILE     CD 5966  -0.320   1.244  -0.215
  421ILE    HD1 5967  -0.291   1.234  -0.109
  421ILE    HD2 5968  -0.255   1.321  -0.262
  421ILE    HD3 5969  -0.301   1.146  -0.265
  421ILE      C 5970  -0.699   1.570  -0.112
  421ILE      O 5971  -0.655   1.686  -0.118
  422LYS      N 5972  -0.797   1.537  -0.028
  422LYS     HN 5973  -0.832   1.442  -0.026
  422LYS     CA 5974  -0.858   1.631   0.062
  422LYS     HA 5975  -0.789   1.711   0.082
  422LYS     CB 5976  -0.994   1.686   0.012
  422LYS    HB1 5977  -1.023   1.770   0.079
  422LYS    HB2 5978  -1.072   1.607   0.020
  422LYS     CG 5979  -0.995   1.732  -0.135
  422LYS    HG1 5980  -0.981   1.643  -0.199
  422LYS    HG2 5981  -0.908   1.799  -0.155
  422LYS     CD 5982  -1.125   1.802  -0.179
  422LYS    HD1 5983  -1.209   1.729  -0.167
  422LYS    HD2 5984  -1.116   1.825  -0.287
  422LYS     CE 5985  -1.158   1.930  -0.100
  422LYS    HE1 5986  -1.075   2.003  -0.108
  422LYS    HE2 5987  -1.175   1.906   0.007
  422LYS     NZ 5988  -1.281   1.992  -0.151
  422LYS    HZ1 5989  -1.360   1.925  -0.139
  422LYS    HZ2 5990  -1.271   2.015  -0.252
  422LYS    HZ3 5991  -1.307   2.079  -0.099
  422LYS      C 5992  -0.881   1.556   0.191
  422LYS      O 5993  -0.921   1.442   0.194
  423PHE      N 5994  -0.849   1.624   0.304
  423PHE     HN 5995  -0.812   1.716   0.300
  423PHE     CA 5996  -0.854   1.562   0.433
  423PHE     HA 5997  -0.926   1.480   0.433
  423PHE     CB 5998  -0.713   1.506   0.467
  423PHE    HB1 5999  -0.637   1.584   0.444
  423PHE    HB2 6000  -0.692   1.418   0.403
  423PHE     CG 6001  -0.697   1.465   0.611
  423PHE    CD1 6002  -0.751   1.343   0.657
  423PHE    HD1 6003  -0.805   1.279   0.588
  423PHE    CE1 6004  -0.735   1.304   0.790
  423PHE    HE1 6005  -0.776   1.211   0.824
  423PHE     CZ 6006  -0.664   1.387   0.879
  423PHE     HZ 6007  -0.651   1.355   0.981
  423PHE    CD2 6008  -0.626   1.546   0.701
  423PHE    HD2 6009  -0.583   1.639   0.665
  423PHE    CE2 6010  -0.609   1.508   0.834
  423PHE    HE2 6011  -0.552   1.569   0.902
  423PHE      C 6012  -0.906   1.663   0.532
  423PHE      O 6013  -0.858   1.778   0.537
  424GLY      N 6014  -1.006   1.629   0.613
  424GLY     HN 6015  -1.046   1.536   0.611
  424GLY     CA 6016  -1.059   1.722   0.711
  424GLY    HA1 6017  -1.123   1.792   0.660
  424GLY    HA2 6018  -0.978   1.768   0.765
  424GLY      C 6019  -1.144   1.643   0.808
  424GLY      O 6020  -1.153   1.524   0.795
  425PRO      N 6021  -1.207   1.711   0.905
  425PRO     CD 6022  -1.178   1.849   0.941
  425PRO    HD1 6023  -1.219   1.917   0.863
  425PRO    HD2 6024  -1.069   1.865   0.954
  425PRO     CA 6025  -1.322   1.658   0.979
  425PRO     HA 6026  -1.283   1.581   1.044
  425PRO     CB 6027  -1.376   1.780   1.054
  425PRO    HB1 6028  -1.423   1.751   1.151
  425PRO    HB2 6029  -1.450   1.835   0.992
  425PRO     CG 6030  -1.252   1.868   1.074
  425PRO    HG1 6031  -1.277   1.974   1.095
  425PRO    HG2 6032  -1.191   1.826   1.157
  425PRO      C 6033  -1.429   1.592   0.895
  425PRO      O 6034  -1.442   1.624   0.776
  426ILE      N 6035  -1.509   1.502   0.953
  426ILE     HN 6036  -1.495   1.480   1.049
  426ILE     CA 6037  -1.620   1.437   0.884
  426ILE     HA 6038  -1.578   1.389   0.796
  426ILE     CB 6039  -1.684   1.327   0.968
  426ILE     HB 6040  -1.715   1.371   1.065
  426ILE    CG2 6041  -1.810   1.270   0.901
  426ILE   HG21 6042  -1.784   1.229   0.801
  426ILE   HG22 6043  -1.890   1.346   0.888
  426ILE   HG23 6044  -1.854   1.187   0.961
  426ILE    CG1 6045  -1.579   1.217   0.995
  426ILE   HG11 6046  -1.483   1.261   1.030
  426ILE   HG12 6047  -1.557   1.166   0.899
  426ILE     CD 6048  -1.622   1.114   1.099
  426ILE    HD1 6049  -1.713   1.059   1.066
  426ILE    HD2 6050  -1.642   1.162   1.197
  426ILE    HD3 6051  -1.541   1.040   1.113
  426ILE      C 6052  -1.724   1.535   0.832
  426ILE      O 6053  -1.781   1.614   0.909
  427GLY      N 6054  -1.751   1.532   0.700
  427GLY     HN 6055  -1.702   1.466   0.641
  427GLY     CA 6056  -1.845   1.621   0.633
  427GLY    HA1 6057  -1.927   1.643   0.700
  427GLY    HA2 6058  -1.876   1.572   0.542
  427GLY      C 6059  -1.784   1.752   0.593
  427GLY      O 6060  -1.855   1.854   0.580
  428SER      N 6061  -1.651   1.758   0.572
  428SER     HN 6062  -1.597   1.674   0.581
  428SER     CA 6063  -1.585   1.882   0.533
  428SER     HA 6064  -1.659   1.960   0.523
  428SER     CB 6065  -1.482   1.933   0.638
  428SER    HB1 6066  -1.533   1.942   0.737
  428SER    HB2 6067  -1.447   2.034   0.609
  428SER     OG 6068  -1.369   1.848   0.651
  428SER    HG1 6069  -1.401   1.763   0.688
  428SER      C 6070  -1.516   1.875   0.400
  428SER      O 6071  -1.481   1.980   0.343
  429THR      N 6072  -1.497   1.756   0.340
  429THR     HN 6073  -1.529   1.670   0.384
  429THR     CA 6074  -1.413   1.743   0.221
  429THR     HA 6075  -1.339   1.821   0.223
  429THR     CB 6076  -1.336   1.612   0.214
  429THR     HB 6077  -1.277   1.606   0.120
  429THR    OG1 6078  -1.422   1.498   0.219
  429THR    HG1 6079  -1.467   1.498   0.306
  429THR    CG2 6080  -1.237   1.603   0.331
  429THR   HG21 6081  -1.291   1.602   0.429
  429THR   HG22 6082  -1.167   1.688   0.331
  429THR   HG23 6083  -1.179   1.508   0.325
  429THR      C 6084  -1.490   1.763   0.093
  429THR      O 6085  -1.432   1.776  -0.016
  430GLY      N 6086  -1.624   1.776   0.102
  430GLY     HN 6087  -1.668   1.761   0.192
  430GLY     CA 6088  -1.710   1.815  -0.009
  430GLY    HA1 6089  -1.812   1.795   0.020
  430GLY    HA2 6090  -1.680   1.762  -0.098
  430GLY      C 6091  -1.702   1.962  -0.036
  430GLY      O 6092  -1.715   2.007  -0.151
  431ASN      N 6093  -1.680   2.041   0.069
  431ASN     HN 6094  -1.665   1.999   0.158
  431ASN     CA 6095  -1.676   2.186   0.067
  431ASN     HA 6096  -1.771   2.214   0.023
  431ASN     CB 6097  -1.668   2.244   0.211
  431ASN    HB1 6098  -1.670   2.355   0.207
  431ASN    HB2 6099  -1.573   2.212   0.259
  431ASN     CG 6100  -1.789   2.200   0.292
  431ASN    OD1 6101  -1.902   2.193   0.245
  431ASN    ND2 6102  -1.766   2.165   0.421
  431ASN   HD21 6103  -1.844   2.125   0.471
  431ASN   HD22 6104  -1.675   2.171   0.458
  431ASN      C 6105  -1.564   2.241  -0.024
  431ASN      O 6106  -1.460   2.174  -0.038
  432PRO      N 6107  -1.582   2.355  -0.091
  432PRO     CD 6108  -1.700   2.442  -0.076
  432PRO    HD1 6109  -1.696   2.491   0.024
  432PRO    HD2 6110  -1.795   2.386  -0.088
  432PRO     CA 6111  -1.486   2.414  -0.184
  432PRO     HA 6112  -1.497   2.356  -0.275
  432PRO     CB 6113  -1.535   2.559  -0.203
  432PRO    HB1 6114  -1.505   2.601  -0.301
  432PRO    HB2 6115  -1.495   2.623  -0.121
  432PRO     CG 6116  -1.686   2.547  -0.186
  432PRO    HG1 6117  -1.734   2.643  -0.158
  432PRO    HG2 6118  -1.732   2.508  -0.280
  432PRO      C 6119  -1.338   2.407  -0.151
  432PRO      O 6120  -1.297   2.436  -0.039
  433SER      N 6121  -1.255   2.369  -0.249
  433SER     HN 6122  -1.291   2.343  -0.338
  433SER     CA 6123  -1.111   2.379  -0.239
  433SER     HA 6124  -1.081   2.332  -0.146
  433SER     CB 6125  -1.039   2.306  -0.354
  433SER    HB1 6126  -0.929   2.313  -0.340
  433SER    HB2 6127  -1.064   2.355  -0.451
  433SER     OG 6128  -1.078   2.168  -0.360
  433SER    HG1 6129  -1.018   2.131  -0.426
  433SER      C 6130  -1.060   2.522  -0.235
  433SER      O 6131  -1.117   2.610  -0.303
  434GLY      N 6132  -0.952   2.549  -0.161
  434GLY     HN 6133  -0.903   2.476  -0.112
  434GLY     CA 6134  -0.886   2.679  -0.153
  434GLY    HA1 6135  -0.918   2.727  -0.061
  434GLY    HA2 6136  -0.910   2.737  -0.241
  434GLY      C 6137  -0.733   2.661  -0.149
  434GLY    OT1 6138  -0.679   2.585  -0.234
  434GLY    OT2 6139  -0.666   2.723  -0.062
    1BGLC    C1 6140  -0.706  -1.426   0.189
    1BGLC    H1 6141  -0.691  -1.434   0.299
    1BGLC    O1 6142  -0.753  -1.549   0.139
    1BGLC   HO1 6143  -0.691  -1.613   0.175
    1BGLC    C5 6144  -0.763  -1.201   0.224
    1BGLC    H5 6145  -0.746  -1.222   0.333
    1BGLC    O5 6146  -0.799  -1.324   0.157
    1BGLC    C2 6147  -0.576  -1.389   0.119
    1BGLC    H2 6148  -0.600  -1.378   0.011
    1BGLC    O2 6149  -0.473  -1.490   0.129
    1BGLC   HO2 6150  -0.395  -1.450   0.090
    1BGLC    C3 6151  -0.524  -1.255   0.167
    1BGLC    H3 6152  -0.490  -1.267   0.273
    1BGLC    O3 6153  -0.411  -1.215   0.089
    1BGLC   HO3 6154  -0.374  -1.134   0.128
    1BGLC    C4 6155  -0.632  -1.148   0.166
    1BGLC    H4 6156  -0.653  -1.116   0.062
    1BGLC    O4 6157  -0.590  -1.038   0.247
    1BGLC    C6 6158  -0.880  -1.105   0.218
    1BGLC   H61 6159  -0.855  -1.011   0.274
    1BGLC   H62 6160  -0.967  -1.150   0.271
    1BGLC    O6 6161  -0.922  -1.072   0.085
    1BGLC   HO6 6162  -0.990  -1.003   0.096
    2BGLC    C1 6163  -0.523  -0.933   0.181
    2BGLC    H1 6164  -0.555  -0.926   0.075
    2BGLC    C5 6165  -0.309  -0.850   0.119
    2BGLC    H5 6166  -0.350  -0.843   0.016
    2BGLC    O5 6167  -0.381  -0.953   0.190
    2BGLC    C2 6168  -0.556  -0.803   0.252
    2BGLC    H2 6169  -0.521  -0.812   0.357
    2BGLC    O2 6170  -0.698  -0.783   0.254
    2BGLC   HO2 6171  -0.727  -0.789   0.347
    2BGLC    C3 6172  -0.481  -0.687   0.188
    2BGLC    H3 6173  -0.516  -0.678   0.082
    2BGLC    O3 6174  -0.512  -0.566   0.255
    2BGLC   HO3 6175  -0.484  -0.482   0.213
    2BGLC    C4 6176  -0.332  -0.715   0.188
    2BGLC    H4 6177  -0.295  -0.721   0.293
    2BGLC    O4 6178  -0.257  -0.617   0.115
    2BGLC    C6 6179  -0.164  -0.891   0.108
    2BGLC   H61 6180  -0.116  -0.886   0.208
    2BGLC   H62 6181  -0.109  -0.821   0.041
    2BGLC    O6 6182  -0.149  -1.025   0.058
    2BGLC   HO6 6183  -0.169  -1.026  -0.036
    3BGLC    C1 6184  -0.204  -0.507   0.187
    3BGLC    H1 6185  -0.270  -0.482   0.273
    3BGLC    C5 6186  -0.098  -0.309   0.089
    3BGLC    H5 6187  -0.089  -0.248   0.182
    3BGLC    O5 6188  -0.212  -0.395   0.097
    3BGLC    C2 6189  -0.066  -0.548   0.243
    3BGLC    H2 6190  -0.044  -0.647   0.196
    3BGLC    O2 6191  -0.069  -0.573   0.384
    3BGLC   HO2 6192  -0.078  -0.488   0.432
    3BGLC    C3 6193   0.052  -0.461   0.204
    3BGLC    H3 6194   0.064  -0.380   0.281
    3BGLC    O3 6195   0.174  -0.537   0.204
    3BGLC   HO3 6196   0.233  -0.503   0.275
    3BGLC    C4 6197   0.026  -0.394   0.072
    3BGLC    H4 6198   0.003  -0.473  -0.004
    3BGLC    O4 6199   0.134  -0.311   0.027
    3BGLC    C6 6200  -0.125  -0.213  -0.026
    3BGLC   H61 6201  -0.036  -0.151  -0.047
    3BGLC   H62 6202  -0.207  -0.145   0.005
    3BGLC    O6 6203  -0.165  -0.282  -0.145
    3BGLC   HO6 6204  -0.243  -0.332  -0.116
    4BGLC    C1 6205   0.197  -0.364  -0.087
    4BGLC    H1 6206   0.121  -0.390  -0.165
    4BGLC    C5 6207   0.327  -0.548  -0.162
    4BGLC    H5 6208   0.244  -0.573  -0.232
    4BGLC    O5 6209   0.277  -0.476  -0.050
    4BGLC    C2 6210   0.295  -0.262  -0.140
    4BGLC    H2 6211   0.368  -0.243  -0.058
    4BGLC    O2 6212   0.232  -0.136  -0.172
    4BGLC   HO2 6213   0.211  -0.093  -0.087
    4BGLC    C3 6214   0.368  -0.321  -0.259
    4BGLC    H3 6215   0.291  -0.336  -0.339
    4BGLC    O3 6216   0.469  -0.234  -0.310
    4BGLC   HO3 6217   0.485  -0.262  -0.401
    4BGLC    C4 6218   0.428  -0.457  -0.230
    4BGLC    H4 6219   0.514  -0.444  -0.160
    4BGLC    O4 6220   0.472  -0.513  -0.355
    4BGLC    C6 6221   0.385  -0.675  -0.105
    4BGLC   H61 6222   0.461  -0.651  -0.027
    4BGLC   H62 6223   0.435  -0.734  -0.185
    4BGLC    O6 6224   0.284  -0.758  -0.046
    4BGLC   HO6 6225   0.243  -0.707   0.026
    5BGLC    C1 6226   0.604  -0.561  -0.357
    5BGLC    H1 6227   0.613  -0.648  -0.289
    5BGLC    C5 6228   0.831  -0.509  -0.321
    5BGLC    H5 6229   0.835  -0.609  -0.272
    5BGLC    O5 6230   0.697  -0.459  -0.319
    5BGLC    C2 6231   0.632  -0.605  -0.501
    5BGLC    H2 6232   0.607  -0.518  -0.567
    5BGLC    O2 6233   0.549  -0.715  -0.541
    5BGLC   HO2 6234   0.486  -0.690  -0.611
    5BGLC    C3 6235   0.779  -0.638  -0.521
    5BGLC    H3 6236   0.801  -0.731  -0.463
    5BGLC    O3 6237   0.809  -0.668  -0.658
    5BGLC   HO3 6238   0.749  -0.736  -0.689
    5BGLC    C4 6239   0.866  -0.527  -0.468
    5BGLC    H4 6240   0.842  -0.434  -0.524
    5BGLC    O4 6241   1.006  -0.558  -0.479
    5BGLC    C6 6242   0.925  -0.419  -0.242
    5BGLC   H61 6243   0.919  -0.315  -0.283
    5BGLC   H62 6244   1.029  -0.455  -0.255
    5BGLC    O6 6245   0.895  -0.417  -0.102
    5BGLC   HO6 6246   0.904  -0.507  -0.064
    6BGLC    C1 6247   1.080  -0.454  -0.537
    6BGLC    H1 6248   1.051  -0.357  -0.489
    6BGLC    C5 6249   1.116  -0.331  -0.735
    6BGLC    H5 6250   1.080  -0.243  -0.677
    6BGLC    O5 6251   1.058  -0.449  -0.678
    6BGLC    C2 6252   1.228  -0.479  -0.519
    6BGLC    H2 6253   1.253  -0.571  -0.577
    6BGLC    O2 6254   1.265  -0.501  -0.382
    6BGLC   HO2 6255   1.326  -0.575  -0.380
    6BGLC    C3 6256   1.307  -0.363  -0.578
    6BGLC    H3 6257   1.279  -0.272  -0.521
    6BGLC    O3 6258   1.449  -0.381  -0.566
    6BGLC   HO3 6259   1.489  -0.298  -0.598
    6BGLC    C4 6260   1.267  -0.341  -0.722
    6BGLC    H4 6261   1.301  -0.427  -0.784
    6BGLC    O4 6262   1.320  -0.218  -0.770
    6BGLC    C6 6263   1.064  -0.313  -0.877
    6BGLC   H61 6264   1.076  -0.206  -0.908
    6BGLC   H62 6265   0.955  -0.336  -0.879
    6BGLC    O6 6266   1.132  -0.394  -0.974
    6BGLC   HO6 6267   1.212  -0.350  -1.004
    7BGLC    C1 6268   1.439  -0.224  -0.842
    7BGLC    H1 6269   1.446  -0.318  -0.902
    7BGLC    C5 6270   1.676  -0.215  -0.824
    7BGLC    H5 6271   1.678  -0.305  -0.891
    7BGLC    O5 6272   1.551  -0.210  -0.753
    7BGLC    C2 6273   1.433  -0.103  -0.933
    7BGLC    H2 6274   1.407  -0.015  -0.869
    7BGLC    O2 6275   1.329  -0.120  -1.031
    7BGLC   HO2 6276   1.264  -0.048  -1.026
    7BGLC    C3 6277   1.566  -0.073  -1.000
    7BGLC    H3 6278   1.577  -0.147  -1.084
    7BGLC    O3 6279   1.564   0.058  -1.055
    7BGLC   HO3 6280   1.629   0.064  -1.126
    7BGLC    C4 6281   1.685  -0.090  -0.910
    7BGLC    H4 6282   1.692  -0.002  -0.841
    7BGLC    O4 6283   1.804  -0.102  -0.990
    7BGLC    C6 6284   1.789  -0.225  -0.724
    7BGLC   H61 6285   1.780  -0.140  -0.652
    7BGLC   H62 6286   1.887  -0.214  -0.777
    7BGLC    O6 6287   1.791  -0.347  -0.649
    7BGLC   HO6 6288   1.811  -0.421  -0.708
    8BGLC    C1 6289   1.890   0.009  -0.988
    8BGLC    H1 6290   1.909   0.041  -0.882
    8BGLC    C5 6291   1.921   0.232  -1.061
    8BGLC    H5 6292   1.942   0.255  -0.954
    8BGLC    O5 6293   1.838   0.116  -1.067
    8BGLC    C2 6294   2.020  -0.035  -1.053
    8BGLC    H2 6295   1.995  -0.071  -1.155
    8BGLC    O2 6296   2.079  -0.145  -0.981
    8BGLC   HO2 6297   2.138  -0.193  -1.042
    8BGLC    C3 6298   2.118   0.080  -1.066
    8BGLC    H3 6299   2.150   0.110  -0.964
    8BGLC    O3 6300   2.235   0.042  -1.139
    8BGLC   HO3 6301   2.299   0.114  -1.132
    8BGLC    C4 6302   2.053   0.201  -1.131
    8BGLC    H4 6303   2.031   0.176  -1.238
    8BGLC    O4 6304   2.138   0.315  -1.127
    8BGLC   HO4 6305   2.114   0.375  -1.199
    8BGLC    C6 6306   1.847   0.351  -1.118
    8BGLC   H61 6307   1.901   0.444  -1.090
    8BGLC   H62 6308   1.745   0.357  -1.073
    8BGLC    O6 6309   1.838   0.347  -1.261
    8BGLC   HO6 6310   1.773   0.279  -1.289
    1TIP3   OH2 6311  -3.158  -3.372  -3.629
    1TIP3    H1 6312  -3.161  -3.275  -3.620
    1TIP3    H2 6313  -3.237  -3.387  -3.684
    2TIP3   OH2 6314  -3.276  -3.423  -3.320
    2TIP3    H1 6315  -3.276  -3.477  -3.240
    2TIP3    H2 6316  -3.303  -3.487  -3.387
    3TIP3   OH2 6317  -4.028  -3.463  -3.156
    3TIP3    H1 6318  -4.033  -3.537  -3.092
    3TIP3    H2 6319  -3.959  -3.408  -3.116
    4TIP3   OH2 6320  -2.928  -3.166  -3.453
    4TIP3    H1 6321  -2.954  -3.233  -3.387
    4TIP3    H2 6322  -2.839  -3.141  -3.424
    5TIP3   OH2 6323  -3.959  -3.001  -3.307
    5TIP3    H1 6324  -3.988  -3.091  -3.332
    5TIP3    H2 6325  -3.867  -3.017  -3.283
    6TIP3   OH2 6326  -4.213  -3.615  -3.872
    6TIP3    H1 6327  -4.231  -3.533  -3.823
    6TIP3    H2 6328  -4.303  -3.641  -3.897
    7TIP3   OH2 6329  -4.206  -3.429  -3.604
    7TIP3    H1 6330  -4.188  -3.489  -3.530
    7TIP3    H2 6331  -4.121  -3.384  -3.615
    8TIP3   OH2 6332  -3.198  -2.738  -3.375
    8TIP3    H1 6333  -3.220  -2.687  -3.419
    8TIP3    H2 6334  -3.287  -2.757  -3.329
    9TIP3   OH2 6335  -3.425  -3.171  -3.266
    9TIP3    H1 6336  -3.392  -3.244  -3.319
    9TIP3    H2 6337  -3.345  -3.155  -3.211
   10TIP3   OH2 6338  -2.572  -4.016  -3.207
   10TIP3    H1 6339  -2.537  -3.974  -3.127
   10TIP3    H2 6340  -2.505  -3.987  -3.272
   11TIP3   OH2 6341  -3.098  -3.740  -3.212
   11TIP3    H1 6342  -3.078  -3.835  -3.209
   11TIP3    H2 6343  -3.106  -3.725  -3.307
   12TIP3   OH2 6344  -3.803  -3.941  -3.502
   12TIP3    H1 6345  -3.784  -3.857  -3.547
   12TIP3    H2 6346  -3.833  -3.995  -3.577
   13TIP3   OH2 6347  -3.013  -3.923  -3.671
   13TIP3    H1 6348  -2.953  -3.966  -3.607
   13TIP3    H2 6349  -2.949  -3.878  -3.728
   14TIP3   OH2 6350  -4.139  -3.663  -3.451
   14TIP3    H1 6351  -4.080  -3.705  -3.386
   14TIP3    H2 6352  -4.120  -3.717  -3.530
   15TIP3   OH2 6353  -3.592  -3.526  -3.509
   15TIP3    H1 6354  -3.521  -3.580  -3.469
   15TIP3    H2 6355  -3.643  -3.593  -3.557
   16TIP3   OH2 6356  -2.477  -3.848  -2.944
   16TIP3    H1 6357  -2.554  -3.797  -2.974
   16TIP3    H2 6358  -2.512  -3.888  -2.863
   17TIP3   OH2 6359  -3.917  -4.052  -3.082
   17TIP3    H1 6360  -3.957  -4.008  -3.159
   17TIP3    H2 6361  -3.987  -4.035  -3.015
   18TIP3   OH2 6362  -3.187  -3.111  -3.745
   18TIP3    H1 6363  -3.198  -3.122  -3.840
   18TIP3    H2 6364  -3.220  -3.022  -3.729
   19TIP3   OH2 6365  -3.626  -3.270  -3.078
   19TIP3    H1 6366  -3.698  -3.210  -3.050
   19TIP3    H2 6367  -3.563  -3.208  -3.118
   20TIP3   OH2 6368  -2.825  -4.012  -3.467
   20TIP3    H1 6369  -2.871  -4.061  -3.398
   20TIP3    H2 6370  -2.771  -3.950  -3.415
   21TIP3   OH2 6371  -3.958  -3.851  -3.295
   21TIP3    H1 6372  -3.894  -3.793  -3.250
   21TIP3    H2 6373  -3.902  -3.888  -3.366
   22TIP3   OH2 6374  -3.828  -3.084  -3.005
   22TIP3    H1 6375  -3.829  -2.990  -3.034
   22TIP3    H2 6376  -3.916  -3.089  -2.963
   23TIP3   OH2 6377  -4.183  -3.120  -3.917
   23TIP3    H1 6378  -4.261  -3.100  -3.973
   23TIP3    H2 6379  -4.196  -3.058  -3.842
   24TIP3   OH2 6380  -2.843  -2.960  -3.213
   24TIP3    H1 6381  -2.938  -2.970  -3.236
   24TIP3    H2 6382  -2.821  -2.885  -3.271
   25TIP3   OH2 6383  -2.808  -4.110  -3.066
   25TIP3    H1 6384  -2.888  -4.077  -3.110
   25TIP3    H2 6385  -2.742  -4.097  -3.136
   26TIP3   OH2 6386  -3.497   4.382  -3.359
   26TIP3    H1 6387  -3.500   4.286  -3.355
   26TIP3    H2 6388  -3.587   4.411  -3.334
   27TIP3   OH2 6389  -3.010  -2.683  -3.610
   27TIP3    H1 6390  -3.068  -2.749  -3.642
   27TIP3    H2 6391  -2.942  -2.674  -3.682
   28TIP3   OH2 6392  -2.838  -3.072  -3.688
   28TIP3    H1 6393  -2.922  -3.051  -3.699
   28TIP3    H2 6394  -2.835  -3.152  -3.647
   29TIP3   OH2 6395  -2.722  -3.105  -2.871
   29TIP3    H1 6396  -2.732  -3.169  -2.943
   29TIP3    H2 6397  -2.710  -3.021  -2.921
   30TIP3   OH2 6398  -3.292  -3.418  -3.906
   30TIP3    H1 6399  -3.359  -3.356  -3.941
   30TIP3    H2 6400  -3.219  -3.409  -3.969
   31TIP3   OH2 6401  -3.275  -3.594  -4.204
   31TIP3    H1 6402  -3.207  -3.562  -4.143
   31TIP3    H2 6403  -3.221  -3.655  -4.259
   32TIP3   OH2 6404  -2.546  -3.488  -3.077
   32TIP3    H1 6405  -2.618  -3.423  -3.068
   32TIP3    H2 6406  -2.498  -3.454  -3.155
   33TIP3   OH2 6407  -2.955  -3.462  -3.797
   33TIP3    H1 6408  -3.019  -3.431  -3.730
   33TIP3    H2 6409  -2.883  -3.497  -3.741
   34TIP3   OH2 6410  -2.961  -3.562  -2.911
   34TIP3    H1 6411  -2.954  -3.482  -2.856
   34TIP3    H2 6412  -3.024  -3.530  -2.977
   35TIP3   OH2 6413  -3.780  -3.335  -3.618
   35TIP3    H1 6414  -3.815  -3.380  -3.697
   35TIP3    H2 6415  -3.718  -3.402  -3.583
   36TIP3   OH2 6416  -3.644  -2.997  -3.345
   36TIP3    H1 6417  -3.658  -3.042  -3.428
   36TIP3    H2 6418  -3.566  -3.045  -3.308
   37TIP3   OH2 6419  -3.728  -3.453  -3.269
   37TIP3    H1 6420  -3.668  -3.453  -3.346
   37TIP3    H2 6421  -3.686  -3.389  -3.208
   38TIP3   OH2 6422  -3.129  -2.922  -3.197
   38TIP3    H1 6423  -3.123  -2.847  -3.134
   38TIP3    H2 6424  -3.152  -3.001  -3.151
   39TIP3   OH2 6425  -3.642  -3.025  -2.784
   39TIP3    H1 6426  -3.693  -2.958  -2.734
   39TIP3    H2 6427  -3.707  -3.050  -2.853
   40TIP3   OH2 6428  -3.040  -3.466  -4.062
   40TIP3    H1 6429  -2.998  -3.453  -3.974
   40TIP3    H2 6430  -2.972  -3.425  -4.120
   41TIP3   OH2 6431  -3.956  -3.390  -2.868
   41TIP3    H1 6432  -3.947  -3.329  -2.792
   41TIP3    H2 6433  -4.053  -3.393  -2.878
   42TIP3   OH2 6434  -3.290  -2.776  -3.693
   42TIP3    H1 6435  -3.285  -2.806  -3.602
   42TIP3    H2 6436  -3.377  -2.734  -3.699
   43TIP3   OH2 6437  -3.835  -2.810  -2.700
   43TIP3    H1 6438  -3.844  -2.804  -2.797
   43TIP3    H2 6439  -3.927  -2.826  -2.671
   44TIP3   OH2 6440  -2.717  -4.336  -4.128
   44TIP3    H1 6441  -2.763  -4.332  -4.043
   44TIP3    H2 6442  -2.651  -4.266  -4.114
   45TIP3   OH2 6443  -3.893  -3.464  -3.866
   45TIP3    H1 6444  -3.919  -3.387  -3.919
   45TIP3    H2 6445  -3.963  -3.527  -3.887
   46TIP3   OH2 6446  -2.534  -2.901  -4.310
   46TIP3    H1 6447  -2.508  -2.811  -4.287
   46TIP3    H2 6448  -2.489  -2.953  -4.241
   47TIP3   OH2 6449  -4.266  -3.181  -3.010
   47TIP3    H1 6450  -4.288  -3.214  -3.099
   47TIP3    H2 6451  -4.307  -3.249  -2.954
   48TIP3   OH2 6452  -4.281  -2.902  -3.313
   48TIP3    H1 6453  -4.196  -2.942  -3.293
   48TIP3    H2 6454  -4.301  -2.852  -3.233
   49TIP3   OH2 6455  -2.443  -2.842  -2.720
   49TIP3    H1 6456  -2.454  -2.938  -2.737
   49TIP3    H2 6457  -2.533  -2.818  -2.691
   50TIP3   OH2 6458  -3.378  -2.919  -2.841
   50TIP3    H1 6459  -3.369  -2.837  -2.786
   50TIP3    H2 6460  -3.468  -2.949  -2.816
   51TIP3   OH2 6461  -3.973  -2.628  -3.679
   51TIP3    H1 6462  -3.954  -2.667  -3.591
   51TIP3    H2 6463  -4.053  -2.678  -3.702
   52TIP3   OH2 6464  -2.963  -2.857  -3.893
   52TIP3    H1 6465  -2.950  -2.933  -3.951
   52TIP3    H2 6466  -2.890  -2.871  -3.832
   53TIP3   OH2 6467  -3.216  -2.477  -3.767
   53TIP3    H1 6468  -3.255  -2.547  -3.812
   53TIP3    H2 6469  -3.127  -2.517  -3.743
   54TIP3   OH2 6470  -2.763  -3.709  -2.680
   54TIP3    H1 6471  -2.814  -3.669  -2.752
   54TIP3    H2 6472  -2.756  -3.801  -2.709
   55TIP3   OH2 6473  -4.070  -3.041  -2.864
   55TIP3    H1 6474  -4.042  -3.097  -2.789
   55TIP3    H2 6475  -4.147  -3.091  -2.902
   56TIP3   OH2 6476  -3.752  -4.222  -3.273
   56TIP3    H1 6477  -3.838  -4.230  -3.317
   56TIP3    H2 6478  -3.764  -4.135  -3.230
   57TIP3   OH2 6479  -3.291  -4.261  -2.917
   57TIP3    H1 6480  -3.270  -4.310  -2.836
   57TIP3    H2 6481  -3.386  -4.278  -2.925
   58TIP3   OH2 6482  -2.995  -3.863  -2.876
   58TIP3    H1 6483  -3.051  -3.875  -2.797
   58TIP3    H2 6484  -2.999  -3.767  -2.892
   59TIP3   OH2 6485  -2.829  -3.383  -4.248
   59TIP3    H1 6486  -2.846  -3.411  -4.338
   59TIP3    H2 6487  -2.779  -3.301  -4.262
   60TIP3   OH2 6488  -3.329  -3.997  -4.213
   60TIP3    H1 6489  -3.384  -3.996  -4.133
   60TIP3    H2 6490  -3.378  -4.062  -4.266
   61TIP3   OH2 6491  -3.762  -3.715  -3.148
   61TIP3    H1 6492  -3.820  -3.703  -3.072
   61TIP3    H2 6493  -3.755  -3.624  -3.184
   62TIP3   OH2 6494  -3.769  -3.709  -3.659
   62TIP3    H1 6495  -3.865  -3.716  -3.677
   62TIP3    H2 6496  -3.733  -3.727  -3.748
   63TIP3   OH2 6497  -3.207  -3.657  -3.787
   63TIP3    H1 6498  -3.245  -3.573  -3.819
   63TIP3    H2 6499  -3.135  -3.670  -3.850
   64TIP3   OH2 6500  -3.287  -3.632  -2.650
   64TIP3    H1 6501  -3.338  -3.706  -2.611
   64TIP3    H2 6502  -3.200  -3.642  -2.606
   65TIP3   OH2 6503  -3.120  -3.712  -3.505
   65TIP3    H1 6504  -3.149  -3.655  -3.579
   65TIP3    H2 6505  -3.100  -3.793  -3.555
   66TIP3   OH2 6506  -4.026  -3.697  -2.965
   66TIP3    H1 6507  -3.995  -3.662  -2.881
   66TIP3    H2 6508  -4.052  -3.788  -2.941
   67TIP3   OH2 6509  -3.653  -3.961  -4.315
   67TIP3    H1 6510  -3.685  -3.987  -4.227
   67TIP3    H2 6511  -3.727  -3.908  -4.348
   68TIP3   OH2 6512  -4.321  -3.942  -3.601
   68TIP3    H1 6513  -4.303  -3.970  -3.510
   68TIP3    H2 6514  -4.287  -4.015  -3.653
   69TIP3   OH2 6515  -4.206  -3.894  -4.021
   69TIP3    H1 6516  -4.147  -3.868  -4.093
   69TIP3    H2 6517  -4.289  -3.851  -4.045
   70TIP3   OH2 6518  -3.215  -3.544  -3.060
   70TIP3    H1 6519  -3.168  -3.616  -3.109
   70TIP3    H2 6520  -3.243  -3.589  -2.980
   71TIP3   OH2 6521  -3.490  -3.941  -3.560
   71TIP3    H1 6522  -3.583  -3.961  -3.539
   71TIP3    H2 6523  -3.445  -3.973  -3.480
   72TIP3   OH2 6524  -4.040  -3.822  -3.695
   72TIP3    H1 6525  -4.115  -3.808  -3.755
   72TIP3    H2 6526  -4.003  -3.906  -3.730
   73TIP3   OH2 6527  -3.674  -3.786  -3.921
   73TIP3    H1 6528  -3.577  -3.784  -3.917
   73TIP3    H2 6529  -3.695  -3.727  -3.996
   74TIP3   OH2 6530  -3.056  -4.032  -3.256
   74TIP3    H1 6531  -3.119  -4.035  -3.181
   74TIP3    H2 6532  -3.114  -4.063  -3.327
   75TIP3   OH2 6533  -3.814  -3.672  -4.160
   75TIP3    H1 6534  -3.875  -3.722  -4.216
   75TIP3    H2 6535  -3.738  -3.657  -4.219
   76TIP3   OH2 6536  -2.751  -2.457  -2.590
   76TIP3    H1 6537  -2.725  -2.411  -2.672
   76TIP3    H2 6538  -2.685  -2.424  -2.528
   77TIP3   OH2 6539  -3.953  -3.197  -2.647
   77TIP3    H1 6540  -3.890  -3.192  -2.572
   77TIP3    H2 6541  -4.037  -3.184  -2.598
   78TIP3   OH2 6542  -3.388  -3.693  -3.375
   78TIP3    H1 6543  -3.317  -3.738  -3.422
   78TIP3    H2 6544  -3.405  -3.756  -3.301
   79TIP3   OH2 6545  -3.877  -4.060  -3.754
   79TIP3    H1 6546  -3.921  -4.146  -3.742
   79TIP3    H2 6547  -3.791  -4.085  -3.790
   80TIP3   OH2 6548  -3.493  -3.849  -3.149
   80TIP3    H1 6549  -3.568  -3.788  -3.149
   80TIP3    H2 6550  -3.442  -3.823  -3.069
   81TIP3   OH2 6551  -3.477  -3.208  -3.961
   81TIP3    H1 6552  -3.553  -3.260  -3.994
   81TIP3    H2 6553  -3.495  -3.205  -3.864
   82TIP3   OH2 6554  -2.754  -3.294  -3.087
   82TIP3    H1 6555  -2.706  -3.239  -3.152
   82TIP3    H2 6556  -2.841  -3.305  -3.130
   83TIP3   OH2 6557  -3.061  -3.931  -4.189
   83TIP3    H1 6558  -3.159  -3.936  -4.186
   83TIP3    H2 6559  -3.039  -3.859  -4.127
   84TIP3   OH2 6560  -3.316  -3.210  -2.829
   84TIP3    H1 6561  -3.341  -3.240  -2.741
   84TIP3    H2 6562  -3.344  -3.116  -2.828
   85TIP3   OH2 6563  -3.000  -3.750  -3.990
   85TIP3    H1 6564  -2.915  -3.765  -3.943
   85TIP3    H2 6565  -2.986  -3.662  -4.028
   86TIP3   OH2 6566  -3.978  -3.280  -3.391
   86TIP3    H1 6567  -3.908  -3.286  -3.459
   86TIP3    H2 6568  -3.962  -3.360  -3.338
   87TIP3   OH2 6569  -3.234  -3.072  -4.064
   87TIP3    H1 6570  -3.266  -2.987  -4.030
   87TIP3    H2 6571  -3.309  -3.130  -4.041
   88TIP3   OH2 6572  -4.239  -3.426  -2.823
   88TIP3    H1 6573  -4.231  -3.492  -2.752
   88TIP3    H2 6574  -4.286  -3.476  -2.893
   89TIP3   OH2 6575  -3.541  -3.494  -2.653
   89TIP3    H1 6576  -3.574  -3.518  -2.741
   89TIP3    H2 6577  -3.447  -3.520  -2.661
   90TIP3   OH2 6578  -3.088  -2.950  -2.881
   90TIP3    H1 6579  -3.185  -2.940  -2.886
   90TIP3    H2 6580  -3.070  -2.924  -2.790
   91TIP3   OH2 6581  -2.530  -3.736  -4.001
   91TIP3    H1 6582  -2.594  -3.756  -4.071
   91TIP3    H2 6583  -2.518  -3.641  -4.018
   92TIP3   OH2 6584  -2.489  -3.141  -2.724
   92TIP3    H1 6585  -2.583  -3.118  -2.743
   92TIP3    H2 6586  -2.457  -3.158  -2.814
   93TIP3   OH2 6587  -2.725  -2.870  -4.054
   93TIP3    H1 6588  -2.810  -2.845  -4.091
   93TIP3    H2 6589  -2.663  -2.813  -4.100
   94TIP3   OH2 6590  -2.993  -3.359  -3.249
   94TIP3    H1 6591  -3.086  -3.372  -3.275
   94TIP3    H2 6592  -2.950  -3.432  -3.299
   95TIP3   OH2 6593  -3.726  -2.942  -3.663
   95TIP3    H1 6594  -3.688  -2.854  -3.656
   95TIP3    H2 6595  -3.821  -2.922  -3.672
   96TIP3   OH2 6596  -4.149  -3.463  -4.168
   96TIP3    H1 6597  -4.078  -3.400  -4.143
   96TIP3    H2 6598  -4.222  -3.401  -4.183
   97TIP3   OH2 6599  -3.544  -3.170  -3.690
   97TIP3    H1 6600  -3.581  -3.082  -3.676
   97TIP3    H2 6601  -3.613  -3.226  -3.648
   98TIP3   OH2 6602  -3.528  -2.754  -3.056
   98TIP3    H1 6603  -3.480  -2.673  -3.078
   98TIP3    H2 6604  -3.466  -2.798  -2.995
   99TIP3   OH2 6605  -3.671  -2.617  -3.737
   99TIP3    H1 6606  -3.765  -2.636  -3.724
   99TIP3    H2 6607  -3.652  -2.562  -3.660
  100TIP3   OH2 6608  -3.187  -3.174  -3.099
  100TIP3    H1 6609  -3.213  -3.200  -3.009
  100TIP3    H2 6610  -3.112  -3.233  -3.116
  101TIP3   OH2 6611  -3.007  -3.064  -4.235
  101TIP3    H1 6612  -2.998  -3.160  -4.247
  101TIP3    H2 6613  -3.055  -3.060  -4.151
  102TIP3   OH2 6614  -2.892  -2.715  -2.858
  102TIP3    H1 6615  -2.967  -2.761  -2.901
  102TIP3    H2 6616  -2.882  -2.636  -2.914
  103TIP3   OH2 6617  -2.485  -2.602  -4.152
  103TIP3    H1 6618  -2.410  -2.539  -4.148
  103TIP3    H2 6619  -2.561  -2.540  -4.140
  104TIP3   OH2 6620  -4.106  -3.957  -2.889
  104TIP3    H1 6621  -4.196  -3.924  -2.906
  104TIP3    H2 6622  -4.124  -4.045  -2.849
  105TIP3   OH2 6623  -2.881  -3.184  -3.972
  105TIP3    H1 6624  -2.887  -3.253  -3.905
  105TIP3    H2 6625  -2.785  -3.166  -3.972
  106TIP3   OH2 6626  -4.128  -2.800  -3.046
  106TIP3    H1 6627  -4.108  -2.894  -3.033
  106TIP3    H2 6628  -4.097  -2.764  -2.962
  107TIP3   OH2 6629  -3.518  -2.935  -4.319
  107TIP3    H1 6630  -3.479  -3.017  -4.354
  107TIP3    H2 6631  -3.578  -2.971  -4.251
  108TIP3   OH2 6632  -3.665  -2.984  -4.076
  108TIP3    H1 6633  -3.616  -3.042  -4.015
  108TIP3    H2 6634  -3.643  -2.895  -4.043
  109TIP3   OH2 6635  -3.985  -3.247  -4.041
  109TIP3    H1 6636  -4.058  -3.208  -3.988
  109TIP3    H2 6637  -3.939  -3.166  -4.065
  110TIP3   OH2 6638  -3.216  -4.007  -3.026
  110TIP3    H1 6639  -3.152  -3.980  -2.959
  110TIP3    H2 6640  -3.250  -4.092  -2.992
  111TIP3   OH2 6641  -3.137  -4.049  -3.922
  111TIP3    H1 6642  -3.118  -3.990  -3.995
  111TIP3    H2 6643  -3.100  -4.001  -3.846
  112TIP3   OH2 6644  -3.369  -2.821  -4.015
  112TIP3    H1 6645  -3.455  -2.776  -4.010
  112TIP3    H2 6646  -3.322  -2.768  -4.081
  113TIP3   OH2 6647  -3.406  -3.851  -3.813
  113TIP3    H1 6648  -3.330  -3.790  -3.801
  113TIP3    H2 6649  -3.433  -3.867  -3.720
  114TIP3   OH2 6650  -3.370  -3.762  -2.899
  114TIP3    H1 6651  -3.361  -3.710  -2.817
  114TIP3    H2 6652  -3.312  -3.837  -2.883
  115TIP3   OH2 6653  -3.328  -4.171  -3.714
  115TIP3    H1 6654  -3.361  -4.097  -3.661
  115TIP3    H2 6655  -3.274  -4.126  -3.782
  116TIP3   OH2 6656  -3.638  -2.705  -4.020
  116TIP3    H1 6657  -3.653  -2.623  -4.069
  116TIP3    H2 6658  -3.667  -2.680  -3.930
  117TIP3   OH2 6659  -3.775  -4.044  -4.072
  117TIP3    H1 6660  -3.777  -3.965  -4.015
  117TIP3    H2 6661  -3.690  -4.083  -4.043
  118TIP3   OH2 6662  -2.732  -3.962  -2.818
  118TIP3    H1 6663  -2.828  -3.953  -2.828
  118TIP3    H2 6664  -2.710  -3.989  -2.908
  119TIP3   OH2 6665  -2.890  -3.574  -3.409
  119TIP3    H1 6666  -2.971  -3.620  -3.435
  119TIP3    H2 6667  -2.840  -3.644  -3.362
  120TIP3   OH2 6668  -3.931  -2.950  -4.155
  120TIP3    H1 6669  -3.845  -2.934  -4.113
  120TIP3    H2 6670  -3.903  -3.000  -4.234
  121TIP3   OH2 6671  -4.098  -3.730  -4.268
  121TIP3    H1 6672  -4.103  -3.640  -4.229
  121TIP3    H2 6673  -4.191  -3.750  -4.288
  122TIP3   OH2 6674  -2.791  -2.682  -3.269
  122TIP3    H1 6675  -2.798  -2.601  -3.322
  122TIP3    H2 6676  -2.698  -2.679  -3.242
  123TIP3   OH2 6677  -4.080  -4.236  -3.352
  123TIP3    H1 6678  -4.062  -4.250  -3.447
  123TIP3    H2 6679  -4.098  -4.326  -3.324
  124TIP3   OH2 6680  -4.133  -2.875  -3.744
  124TIP3    H1 6681  -4.227  -2.850  -3.736
  124TIP3    H2 6682  -4.109  -2.841  -3.831
  125TIP3   OH2 6683  -4.214  -2.605  -2.623
  125TIP3    H1 6684  -4.151  -2.604  -2.549
  125TIP3    H2 6685  -4.216  -2.701  -2.638
  126TIP3   OH2 6686  -3.728  -2.692  -2.451
  126TIP3    H1 6687  -3.658  -2.755  -2.429
  126TIP3    H2 6688  -3.750  -2.719  -2.541
  127TIP3   OH2 6689  -3.307  -2.754  -4.318
  127TIP3    H1 6690  -3.388  -2.809  -4.322
  127TIP3    H2 6691  -3.242  -2.820  -4.348
  128TIP3   OH2 6692  -3.080  -2.864  -2.592
  128TIP3    H1 6693  -3.117  -2.946  -2.554
  128TIP3    H2 6694  -3.010  -2.842  -2.527
  129TIP3   OH2 6695  -2.791  -2.246   3.901
  129TIP3    H1 6696  -2.858  -2.280   3.961
  129TIP3    H2 6697  -2.712  -2.250   3.957
  130TIP3   OH2 6698  -4.200  -3.201  -2.560
  130TIP3    H1 6699  -4.190  -3.288  -2.601
  130TIP3    H2 6700  -4.286  -3.172  -2.593
  131TIP3   OH2 6701  -3.772  -3.177  -4.311
  131TIP3    H1 6702  -3.763  -3.245  -4.243
  131TIP3    H2 6703  -3.702  -3.200  -4.373
  132TIP3   OH2 6704  -3.540  -3.216  -2.582
  132TIP3    H1 6705  -3.569  -3.183  -2.669
  132TIP3    H2 6706  -3.531  -3.312  -2.597
  133TIP3   OH2 6707  -3.259  -3.076  -4.351
  133TIP3    H1 6708  -3.229  -3.058  -4.260
  133TIP3    H2 6709  -3.192  -3.140  -4.380
  134TIP3   OH2 6710  -3.002  -3.254  -2.845
  134TIP3    H1 6711  -2.923  -3.201  -2.863
  134TIP3    H2 6712  -3.070  -3.185  -2.845
  135TIP3   OH2 6713  -4.135  -3.533  -2.583
  135TIP3    H1 6714  -4.053  -3.584  -2.597
  135TIP3    H2 6715  -4.121  -3.498  -2.494
  136TIP3   OH2 6716  -3.674  -3.383  -4.090
  136TIP3    H1 6717  -3.735  -3.429  -4.030
  136TIP3    H2 6718  -3.639  -3.457  -4.143
  137TIP3   OH2 6719  -3.751  -3.609  -2.857
  137TIP3    H1 6720  -3.804  -3.529  -2.838
  137TIP3    H2 6721  -3.684  -3.573  -2.917
  138TIP3   OH2 6722  -3.554  -3.572  -4.277
  138TIP3    H1 6723  -3.547  -3.601  -4.369
  138TIP3    H2 6724  -3.459  -3.576  -4.251
  139TIP3   OH2 6725  -3.220  -3.338  -2.502
  139TIP3    H1 6726  -3.129  -3.355  -2.530
  139TIP3    H2 6727  -3.243  -3.421  -2.458
  140TIP3   OH2 6728  -3.694  -3.881  -2.745
  140TIP3    H1 6729  -3.682  -3.944  -2.818
  140TIP3    H2 6730  -3.711  -3.799  -2.793
  141TIP3   OH2 6731  -3.651  -4.038  -3.003
  141TIP3    H1 6732  -3.599  -3.982  -3.064
  141TIP3    H2 6733  -3.743  -4.026  -3.036
  142TIP3   OH2 6734  -3.503  -3.489  -2.957
  142TIP3    H1 6735  -3.418  -3.497  -3.003
  142TIP3    H2 6736  -3.532  -3.400  -2.987
  143TIP3   OH2 6737  -3.045  -3.694  -2.480
  143TIP3    H1 6738  -3.024  -3.786  -2.462
  143TIP3    H2 6739  -2.957  -3.654  -2.482
  144TIP3   OH2 6740  -2.947  -3.415  -2.631
  144TIP3    H1 6741  -2.981  -3.353  -2.698
  144TIP3    H2 6742  -2.857  -3.430  -2.666
  145TIP3   OH2 6743  -3.882  -3.691  -2.566
  145TIP3    H1 6744  -3.928  -3.777  -2.565
  145TIP3    H2 6745  -3.797  -3.715  -2.607
  146TIP3   OH2 6746  -3.605  -4.277  -2.879
  146TIP3    H1 6747  -3.592  -4.187  -2.915
  146TIP3    H2 6748  -3.697  -4.291  -2.906
  147TIP3   OH2 6749  -3.457  -3.844  -2.586
  147TIP3    H1 6750  -3.487  -3.871  -2.497
  147TIP3    H2 6751  -3.538  -3.864  -2.636
  148TIP3   OH2 6752  -3.198  -3.945  -2.687
  148TIP3    H1 6753  -3.286  -3.931  -2.649
  148TIP3    H2 6754  -3.160  -4.010  -2.625
  149TIP3   OH2 6755  -3.029  -4.136  -2.520
  149TIP3    H1 6756  -3.038  -4.224  -2.480
  149TIP3    H2 6757  -3.039  -4.077  -2.443
  150TIP3   OH2 6758  -4.004  -3.951  -2.577
  150TIP3    H1 6759  -4.023  -4.018  -2.645
  150TIP3    H2 6760  -4.039  -3.993  -2.497
  151TIP3   OH2 6761  -3.495  -4.147  -2.474
  151TIP3    H1 6762  -3.517  -4.229  -2.522
  151TIP3    H2 6763  -3.580  -4.100  -2.471
  152TIP3   OH2 6764  -3.572  -2.404  -4.156
  152TIP3    H1 6765  -3.493  -2.456  -4.176
  152TIP3    H2 6766  -3.615  -2.392  -4.242
  153TIP3   OH2 6767  -4.189  -3.010  -4.239
  153TIP3    H1 6768  -4.105  -2.996  -4.191
  153TIP3    H2 6769  -4.177  -3.099  -4.275
  154TIP3   OH2 6770  -4.271  -2.690  -3.524
  154TIP3    H1 6771  -4.276  -2.780  -3.486
  154TIP3    H2 6772  -4.244  -2.640  -3.445
  155TIP3   OH2 6773  -2.516  -2.567  -3.219
  155TIP3    H1 6774  -2.499  -2.575  -3.124
  155TIP3    H2 6775  -2.428  -2.544  -3.252
  156TIP3   OH2 6776  -2.526  -2.628  -2.933
  156TIP3    H1 6777  -2.578  -2.704  -2.966
  156TIP3    H2 6778  -2.471  -2.673  -2.867
  157TIP3   OH2 6779  -2.726  -3.085  -2.503
  157TIP3    H1 6780  -2.814  -3.077  -2.462
  157TIP3    H2 6781  -2.681  -3.005  -2.472
  158TIP3   OH2 6782  -2.578  -3.217  -3.939
  158TIP3    H1 6783  -2.495  -3.169  -3.922
  158TIP3    H2 6784  -2.586  -3.268  -3.856
  159TIP3   OH2 6785  -2.543  -3.399  -3.728
  159TIP3    H1 6786  -2.606  -3.459  -3.684
  159TIP3    H2 6787  -2.471  -3.388  -3.662
  160TIP3   OH2 6788  -2.571  -3.150  -3.239
  160TIP3    H1 6789  -2.503  -3.197  -3.289
  160TIP3    H2 6790  -2.553  -3.057  -3.263
  161TIP3   OH2 6791  -2.693  -2.853  -3.008
  161TIP3    H1 6792  -2.767  -2.816  -2.956
  161TIP3    H2 6793  -2.741  -2.892  -3.084
  162TIP3   OH2 6794  -2.516  -3.435  -4.107
  162TIP3    H1 6795  -2.569  -3.397  -4.178
  162TIP3    H2 6796  -2.530  -3.366  -4.039
  163TIP3   OH2 6797  -2.695  -3.696  -4.221
  163TIP3    H1 6798  -2.656  -3.621  -4.270
  163TIP3    H2 6799  -2.647  -3.770  -4.259
  164TIP3   OH2 6800  -2.746  -3.585  -3.648
  164TIP3    H1 6801  -2.754  -3.679  -3.668
  164TIP3    H2 6802  -2.783  -3.579  -3.558
  165TIP3   OH2 6803  -4.257  -3.336  -3.254
  165TIP3    H1 6804  -4.222  -3.313  -3.341
  165TIP3    H2 6805  -4.177  -3.377  -3.213
  166TIP3   OH2 6806  -2.686  -3.393  -2.736
  166TIP3    H1 6807  -2.613  -3.455  -2.718
  166TIP3    H2 6808  -2.640  -3.310  -2.754
  167TIP3   OH2 6809  -2.531  -3.583  -2.615
  167TIP3    H1 6810  -2.610  -3.637  -2.637
  167TIP3    H2 6811  -2.461  -3.651  -2.616
  168TIP3   OH2 6812  -2.767  -4.028  -4.341
  168TIP3    H1 6813  -2.708  -4.042  -4.266
  168TIP3    H2 6814  -2.855  -4.045  -4.306
  169TIP3   OH2 6815  -2.769  -3.826  -3.835
  169TIP3    H1 6816  -2.749  -3.922  -3.827
  169TIP3    H2 6817  -2.685  -3.793  -3.872
  170TIP3   OH2 6818  -2.737  -3.772  -3.292
  170TIP3    H1 6819  -2.640  -3.767  -3.293
  170TIP3    H2 6820  -2.752  -3.776  -3.196
  171TIP3   OH2 6821  -2.723  -3.706  -3.007
  171TIP3    H1 6822  -2.807  -3.664  -2.980
  171TIP3    H2 6823  -2.668  -3.629  -3.028
  172TIP3   OH2 6824  -4.282  -3.838  -2.627
  172TIP3    H1 6825  -4.199  -3.880  -2.654
  172TIP3    H2 6826  -4.346  -3.911  -2.626
  173TIP3   OH2 6827  -2.508  -4.278  -2.429
  173TIP3    H1 6828  -2.453  -4.354  -2.450
  173TIP3    H2 6829  -2.503  -4.218  -2.507
  174TIP3   OH2 6830  -2.734  -4.097  -3.822
  174TIP3    H1 6831  -2.707  -4.147  -3.744
  174TIP3    H2 6832  -2.795  -4.160  -3.865
  175TIP3   OH2 6833  -4.194  -3.988  -3.337
  175TIP3    H1 6834  -4.162  -4.080  -3.330
  175TIP3    H2 6835  -4.114  -3.937  -3.314
  176TIP3   OH2 6836  -4.334  -3.727  -3.245
  176TIP3    H1 6837  -4.294  -3.777  -3.318
  176TIP3    H2 6838  -4.316  -3.636  -3.272
  177TIP3   OH2 6839  -2.527  -4.111  -2.645
  177TIP3    H1 6840  -2.612  -4.065  -2.636
  177TIP3    H2 6841  -2.537  -4.147  -2.735
  178TIP3   OH2 6842  -2.515  -4.072  -4.175
  178TIP3    H1 6843  -2.488  -4.146  -4.231
  178TIP3    H2 6844  -2.434  -4.019  -4.171
  179TIP3   OH2 6845  -4.315  -4.105  -3.887
  179TIP3    H1 6846  -4.398  -4.074  -3.926
  179TIP3    H2 6847  -4.253  -4.038  -3.924
  180TIP3   OH2 6848  -2.772  -2.560  -3.678
  180TIP3    H1 6849  -2.696  -2.565  -3.612
  180TIP3    H2 6850  -2.843  -2.523  -3.618
  181TIP3   OH2 6851  -4.292  -4.164  -3.053
  181TIP3    H1 6852  -4.351  -4.224  -3.002
  181TIP3    H2 6853  -4.329  -4.166  -3.142
  182TIP3   OH2 6854  -4.117  -2.863  -2.589
  182TIP3    H1 6855  -4.171  -2.924  -2.640
  182TIP3    H2 6856  -4.132  -2.896  -2.498
  183TIP3   OH2 6857  -3.803  -2.798  -2.998
  183TIP3    H1 6858  -3.834  -2.714  -3.035
  183TIP3    H2 6859  -3.707  -2.789  -3.016
  184TIP3   OH2 6860  -3.350  -2.670  -2.700
  184TIP3    H1 6861  -3.339  -2.685  -2.604
  184TIP3    H2 6862  -3.269  -2.621  -2.723
  185TIP3   OH2 6863  -3.118  -2.523  -2.776
  185TIP3    H1 6864  -3.050  -2.593  -2.788
  185TIP3    H2 6865  -3.091  -2.486  -2.690
  186TIP3   OH2 6866  -2.665  -4.275  -2.854
  186TIP3    H1 6867  -2.716  -4.215  -2.911
  186TIP3    H2 6868  -2.641  -4.343  -2.919
  187TIP3   OH2 6869  -4.070  -2.492  -2.975
  187TIP3    H1 6870  -4.139  -2.442  -3.022
  187TIP3    H2 6871  -4.100  -2.483  -2.884
  188TIP3   OH2 6872  -3.820  -2.526  -3.111
  188TIP3    H1 6873  -3.905  -2.506  -3.068
  188TIP3    H2 6874  -3.816  -2.459  -3.181
  189TIP3   OH2 6875  -3.353  -2.400  -3.183
  189TIP3    H1 6876  -3.395  -2.350  -3.166
  189TIP3    H2 6877  -3.303  -2.439  -3.109
  190TIP3   OH2 6878  -3.109  -2.650  -3.052
  190TIP3    H1 6879  -3.181  -2.629  -3.114
  190TIP3    H2 6880  -3.047  -2.578  -3.066
  191TIP3   OH2 6881  -2.859  -2.480  -3.046
  191TIP3    H1 6882  -2.858  -2.385  -3.068
  191TIP3    H2 6883  -2.826  -2.519  -3.129
  192TIP3   OH2 6884  -4.125  -2.616  -3.276
  192TIP3    H1 6885  -4.135  -2.661  -3.190
  192TIP3    H2 6886  -4.049  -2.664  -3.313
  193TIP3   OH2 6887  -3.907  -2.746  -3.431
  193TIP3    H1 6888  -3.926  -2.836  -3.398
  193TIP3    H2 6889  -3.819  -2.728  -3.390
  194TIP3   OH2 6890  -3.643  -2.718  -3.340
  194TIP3    H1 6891  -3.616  -2.810  -3.352
  194TIP3    H2 6892  -3.623  -2.702  -3.247
  195TIP3   OH2 6893  -3.301  -4.112  -3.412
  195TIP3    H1 6894  -3.362  -4.183  -3.383
  195TIP3    H2 6895  -3.239  -4.162  -3.468
  196TIP3   OH2 6896  -2.771  -4.329  -3.365
  196TIP3    H1 6897  -2.712  -4.290  -3.430
  196TIP3    H2 6898  -2.859  -4.305  -3.398
  197TIP3   OH2 6899  -2.578  -4.223  -3.584
  197TIP3    H1 6900  -2.522  -4.247  -3.658
  197TIP3    H2 6901  -2.557  -4.129  -3.570
  198TIP3   OH2 6902  -4.076  -4.279  -3.668
  198TIP3    H1 6903  -4.158  -4.313  -3.705
  198TIP3    H2 6904  -4.025  -4.359  -3.651
  199TIP3   OH2 6905  -4.198  -4.290  -4.075
  199TIP3    H1 6906  -4.164  -4.223  -4.138
  199TIP3    H2 6907  -4.251  -4.234  -4.015
  200TIP3   OH2 6908  -3.613  -4.222  -3.650
  200TIP3    H1 6909  -3.520  -4.233  -3.671
  200TIP3    H2 6910  -3.633  -4.296  -3.592
  201TIP3   OH2 6911  -3.061  -4.264  -3.516
  201TIP3    H1 6912  -3.026  -4.262  -3.606
  201TIP3    H2 6913  -3.072  -4.359  -3.499
  202TIP3   OH2 6914  -2.953  -4.271  -3.915
  202TIP3    H1 6915  -3.027  -4.215  -3.944
  202TIP3    H2 6916  -2.990  -4.360  -3.920
  203TIP3   OH2 6917  -4.179  -2.688  -3.987
  203TIP3    H1 6918  -4.260  -2.707  -4.034
  203TIP3    H2 6919  -4.186  -2.593  -3.971
  204TIP3   OH2 6920  -4.012  -4.111  -4.224
  204TIP3    H1 6921  -3.957  -4.160  -4.287
  204TIP3    H2 6922  -3.944  -4.063  -4.174
  205TIP3   OH2 6923  -3.494  -4.057  -3.985
  205TIP3    H1 6924  -3.482  -4.142  -3.938
  205TIP3    H2 6925  -3.470  -3.991  -3.917
  206TIP3   OH2 6926  -3.298  -2.530  -4.133
  206TIP3    H1 6927  -3.205  -2.507  -4.147
  206TIP3    H2 6928  -3.311  -2.596  -4.203
  207TIP3   OH2 6929  -2.617  -2.611  -3.899
  207TIP3    H1 6930  -2.654  -2.692  -3.937
  207TIP3    H2 6931  -2.651  -2.541  -3.960
  208TIP3   OH2 6932  -4.111  -4.176  -2.733
  208TIP3    H1 6933  -4.159  -4.245  -2.683
  208TIP3    H2 6934  -4.027  -4.224  -2.747
  209TIP3   OH2 6935  -3.809  -4.278  -2.473
  209TIP3    H1 6936  -3.722  -4.303  -2.512
  209TIP3    H2 6937  -3.827  -4.355  -2.418
  210TIP3   OH2 6938  -3.961  -2.583  -4.238
  210TIP3    H1 6939  -4.021  -2.564  -4.165
  210TIP3    H2 6940  -3.928  -2.671  -4.218
  211TIP3   OH2 6941  -2.692  -2.734  -2.643
  211TIP3    H1 6942  -2.768  -2.753  -2.701
  211TIP3    H2 6943  -2.711  -2.641  -2.620
  212TIP3   OH2 6944  -1.273  -3.367  -3.629
  212TIP3    H1 6945  -1.276  -3.270  -3.616
  212TIP3    H2 6946  -1.352  -3.381  -3.684
  213TIP3   OH2 6947  -1.388  -3.423  -3.320
  213TIP3    H1 6948  -1.391  -3.478  -3.241
  213TIP3    H2 6949  -1.417  -3.485  -3.388
  214TIP3   OH2 6950  -2.141  -3.464  -3.153
  214TIP3    H1 6951  -2.144  -3.539  -3.091
  214TIP3    H2 6952  -2.072  -3.410  -3.114
  215TIP3   OH2 6953  -1.019  -3.150  -3.488
  215TIP3    H1 6954  -1.059  -3.220  -3.435
  215TIP3    H2 6955  -0.995  -3.086  -3.420
  216TIP3   OH2 6956  -2.076  -2.999  -3.304
  216TIP3    H1 6957  -2.100  -3.091  -3.329
  216TIP3    H2 6958  -1.983  -3.012  -3.280
  217TIP3   OH2 6959  -2.376  -3.662  -3.763
  217TIP3    H1 6960  -2.414  -3.574  -3.752
  217TIP3    H2 6961  -2.448  -3.709  -3.807
  218TIP3   OH2 6962  -2.297  -3.415  -3.580
  218TIP3    H1 6963  -2.281  -3.497  -3.530
  218TIP3    H2 6964  -2.213  -3.403  -3.625
  219TIP3   OH2 6965  -1.314  -2.612  -3.431
  219TIP3    H1 6966  -1.257  -2.684  -3.463
  219TIP3    H2 6967  -1.343  -2.645  -3.346
  220TIP3   OH2 6968  -1.541  -3.171  -3.264
  220TIP3    H1 6969  -1.508  -3.243  -3.321
  220TIP3    H2 6970  -1.460  -3.156  -3.211
  221TIP3   OH2 6971  -0.687  -4.013  -3.209
  221TIP3    H1 6972  -0.651  -3.977  -3.126
  221TIP3    H2 6973  -0.617  -3.988  -3.271
  222TIP3   OH2 6974  -1.211  -3.740  -3.212
  222TIP3    H1 6975  -1.193  -3.835  -3.210
  222TIP3    H2 6976  -1.221  -3.725  -3.307
  223TIP3   OH2 6977  -1.917  -3.941  -3.502
  223TIP3    H1 6978  -1.899  -3.856  -3.548
  223TIP3    H2 6979  -1.949  -3.995  -3.577
  224TIP3   OH2 6980  -1.128  -3.922  -3.671
  224TIP3    H1 6981  -1.068  -3.967  -3.607
  224TIP3    H2 6982  -1.063  -3.878  -3.728
  225TIP3   OH2 6983  -2.244  -3.662  -3.455
  225TIP3    H1 6984  -2.184  -3.711  -3.396
  225TIP3    H2 6985  -2.236  -3.713  -3.537
  226TIP3   OH2 6986  -1.706  -3.525  -3.509
  226TIP3    H1 6987  -1.636  -3.581  -3.469
  226TIP3    H2 6988  -1.757  -3.592  -3.558
  227TIP3   OH2 6989  -0.591  -3.845  -2.942
  227TIP3    H1 6990  -0.670  -3.798  -2.974
  227TIP3    H2 6991  -0.627  -3.892  -2.866
  228TIP3   OH2 6992  -2.034  -4.056  -3.087
  228TIP3    H1 6993  -2.069  -4.001  -3.159
  228TIP3    H2 6994  -2.101  -4.037  -3.018
  229TIP3   OH2 6995  -1.283  -3.081  -3.751
  229TIP3    H1 6996  -1.314  -3.102  -3.840
  229TIP3    H2 6997  -1.330  -2.998  -3.732
  230TIP3   OH2 6998  -1.740  -3.269  -3.076
  230TIP3    H1 6999  -1.814  -3.211  -3.050
  230TIP3    H2 7000  -1.679  -3.207  -3.120
  231TIP3   OH2 7001  -0.938  -4.012  -3.468
  231TIP3    H1 7002  -0.985  -4.062  -3.400
  231TIP3    H2 7003  -0.887  -3.950  -3.413
  232TIP3   OH2 7004  -2.074  -3.855  -3.293
  232TIP3    H1 7005  -2.010  -3.795  -3.249
  232TIP3    H2 7006  -2.017  -3.890  -3.365
  233TIP3   OH2 7007  -1.942  -3.083  -3.005
  233TIP3    H1 7008  -1.945  -2.990  -3.034
  233TIP3    H2 7009  -2.028  -3.089  -2.960
  234TIP3   OH2 7010  -2.311  -3.113  -3.917
  234TIP3    H1 7011  -2.327  -3.072  -4.004
  234TIP3    H2 7012  -2.296  -3.036  -3.858
  235TIP3   OH2 7013  -0.963  -2.968  -3.240
  235TIP3    H1 7014  -1.060  -2.957  -3.235
  235TIP3    H2 7015  -0.938  -2.881  -3.275
  236TIP3   OH2 7016  -0.923  -4.108  -3.065
  236TIP3    H1 7017  -1.004  -4.078  -3.109
  236TIP3    H2 7018  -0.857  -4.097  -3.136
  237TIP3   OH2 7019  -1.612   4.381  -3.363
  237TIP3    H1 7020  -1.615   4.286  -3.353
  237TIP3    H2 7021  -1.700   4.412  -3.332
  238TIP3   OH2 7022  -1.135  -2.774  -3.581
  238TIP3    H1 7023  -1.087  -2.852  -3.614
  238TIP3    H2 7024  -1.068  -2.704  -3.593
  239TIP3   OH2 7025  -0.988  -2.989  -3.721
  239TIP3    H1 7026  -1.045  -3.031  -3.787
  239TIP3    H2 7027  -0.995  -3.051  -3.646
  240TIP3   OH2 7028  -0.833  -3.105  -2.871
  240TIP3    H1 7029  -0.848  -3.170  -2.942
  240TIP3    H2 7030  -0.826  -3.021  -2.920
  241TIP3   OH2 7031  -1.407  -3.418  -3.906
  241TIP3    H1 7032  -1.473  -3.354  -3.938
  241TIP3    H2 7033  -1.335  -3.406  -3.970
  242TIP3   OH2 7034  -1.388  -3.593  -4.208
  242TIP3    H1 7035  -1.321  -3.563  -4.145
  242TIP3    H2 7036  -1.334  -3.654  -4.263
  243TIP3   OH2 7037  -0.651  -3.480  -3.087
  243TIP3    H1 7038  -0.729  -3.422  -3.071
  243TIP3    H2 7039  -0.621  -3.447  -3.173
  244TIP3   OH2 7040  -1.058  -3.414  -3.794
  244TIP3    H1 7041  -1.128  -3.392  -3.729
  244TIP3    H2 7042  -1.001  -3.472  -3.741
  245TIP3   OH2 7043  -1.073  -3.561  -2.910
  245TIP3    H1 7044  -1.070  -3.480  -2.857
  245TIP3    H2 7045  -1.140  -3.533  -2.976
  246TIP3   OH2 7046  -1.899  -3.337  -3.615
  246TIP3    H1 7047  -1.930  -3.380  -3.698
  246TIP3    H2 7048  -1.834  -3.402  -3.582
  247TIP3   OH2 7049  -1.762  -2.996  -3.342
  247TIP3    H1 7050  -1.774  -3.036  -3.430
  247TIP3    H2 7051  -1.683  -3.043  -3.309
  248TIP3   OH2 7052  -1.839  -3.457  -3.267
  248TIP3    H1 7053  -1.782  -3.453  -3.346
  248TIP3    H2 7054  -1.801  -3.389  -3.208
  249TIP3   OH2 7055  -1.242  -2.906  -3.209
  249TIP3    H1 7056  -1.243  -2.838  -3.139
  249TIP3    H2 7057  -1.269  -2.987  -3.162
  250TIP3   OH2 7058  -1.756  -3.024  -2.784
  250TIP3    H1 7059  -1.807  -2.958  -2.734
  250TIP3    H2 7060  -1.821  -3.051  -2.852
  251TIP3   OH2 7061  -1.149  -3.470  -4.056
  251TIP3    H1 7062  -1.109  -3.443  -3.971
  251TIP3    H2 7063  -1.092  -3.424  -4.120
  252TIP3   OH2 7064  -2.063  -3.384  -2.872
  252TIP3    H1 7065  -2.058  -3.327  -2.793
  252TIP3    H2 7066  -2.159  -3.398  -2.879
  253TIP3   OH2 7067  -1.418  -2.810  -3.693
  253TIP3    H1 7068  -1.369  -2.780  -3.616
  253TIP3    H2 7069  -1.465  -2.730  -3.721
  254TIP3   OH2 7070  -1.946  -2.806  -2.701
  254TIP3    H1 7071  -1.958  -2.803  -2.798
  254TIP3    H2 7072  -2.034  -2.833  -2.668
  255TIP3   OH2 7073  -0.827  -4.339  -4.124
  255TIP3    H1 7074  -0.878  -4.330  -4.042
  255TIP3    H2 7075  -0.766  -4.265  -4.115
  256TIP3   OH2 7076  -2.006  -3.462  -3.863
  256TIP3    H1 7077  -2.030  -3.386  -3.919
  256TIP3    H2 7078  -2.073  -3.527  -3.888
  257TIP3   OH2 7079  -0.708  -2.885  -4.244
  257TIP3    H1 7080  -0.684  -2.795  -4.217
  257TIP3    H2 7081  -0.622  -2.931  -4.241
  258TIP3   OH2 7082  -2.401  -3.196  -2.990
  258TIP3    H1 7083  -2.445  -3.199  -3.077
  258TIP3    H2 7084  -2.387  -3.291  -2.972
  259TIP3   OH2 7085  -2.395  -2.904  -3.296
  259TIP3    H1 7086  -2.303  -2.932  -3.292
  259TIP3    H2 7087  -2.399  -2.844  -3.220
  260TIP3   OH2 7088  -0.557  -2.842  -2.719
  260TIP3    H1 7089  -0.568  -2.937  -2.737
  260TIP3    H2 7090  -0.648  -2.818  -2.691
  261TIP3   OH2 7091  -1.492  -2.919  -2.840
  261TIP3    H1 7092  -1.485  -2.837  -2.787
  261TIP3    H2 7093  -1.582  -2.950  -2.817
  262TIP3   OH2 7094  -1.459  -2.539  -3.845
  262TIP3    H1 7095  -1.465  -2.531  -3.942
  262TIP3    H2 7096  -1.456  -2.447  -3.815
  263TIP3   OH2 7097  -2.085  -2.623  -3.679
  263TIP3    H1 7098  -2.067  -2.669  -3.594
  263TIP3    H2 7099  -2.167  -2.667  -3.705
  264TIP3   OH2 7100  -1.138  -2.562  -4.108
  264TIP3    H1 7101  -1.101  -2.622  -4.177
  264TIP3    H2 7102  -1.147  -2.624  -4.033
  265TIP3   OH2 7103  -1.192  -2.659  -3.857
  265TIP3    H1 7104  -1.285  -2.638  -3.838
  265TIP3    H2 7105  -1.173  -2.725  -3.788
  266TIP3   OH2 7106  -0.876  -3.707  -2.681
  266TIP3    H1 7107  -0.930  -3.670  -2.752
  266TIP3    H2 7108  -0.870  -3.801  -2.708
  267TIP3   OH2 7109  -2.181  -3.041  -2.866
  267TIP3    H1 7110  -2.155  -3.087  -2.784
  267TIP3    H2 7111  -2.255  -3.096  -2.898
  268TIP3   OH2 7112  -1.860  -4.219  -3.274
  268TIP3    H1 7113  -1.943  -4.243  -3.319
  268TIP3    H2 7114  -1.887  -4.136  -3.231
  269TIP3   OH2 7115  -1.406  -4.260  -2.915
  269TIP3    H1 7116  -1.385  -4.311  -2.836
  269TIP3    H2 7117  -1.500  -4.278  -2.926
  270TIP3   OH2 7118  -1.107  -3.862  -2.873
  270TIP3    H1 7119  -1.166  -3.875  -2.797
  270TIP3    H2 7120  -1.115  -3.767  -2.891
  271TIP3   OH2 7121  -0.917  -3.391  -4.256
  271TIP3    H1 7122  -0.978  -3.405  -4.330
  271TIP3    H2 7123  -0.901  -3.296  -4.267
  272TIP3   OH2 7124  -1.441  -3.999  -4.217
  272TIP3    H1 7125  -1.496  -3.994  -4.136
  272TIP3    H2 7126  -1.492  -4.066  -4.265
  273TIP3   OH2 7127  -1.877  -3.716  -3.148
  273TIP3    H1 7128  -1.935  -3.703  -3.071
  273TIP3    H2 7129  -1.869  -3.624  -3.183
  274TIP3   OH2 7130  -1.882  -3.708  -3.659
  274TIP3    H1 7131  -1.977  -3.719  -3.675
  274TIP3    H2 7132  -1.847  -3.727  -3.749
  275TIP3   OH2 7133  -1.313  -3.653  -3.786
  275TIP3    H1 7134  -1.355  -3.571  -3.818
  275TIP3    H2 7135  -1.251  -3.673  -3.857
  276TIP3   OH2 7136  -1.401  -3.632  -2.649
  276TIP3    H1 7137  -1.453  -3.706  -2.611
  276TIP3    H2 7138  -1.315  -3.644  -2.605
  277TIP3   OH2 7139  -1.234  -3.711  -3.505
  277TIP3    H1 7140  -1.263  -3.654  -3.579
  277TIP3    H2 7141  -1.214  -3.793  -3.555
  278TIP3   OH2 7142  -2.140  -3.697  -2.966
  278TIP3    H1 7143  -2.113  -3.669  -2.877
  278TIP3    H2 7144  -2.179  -3.784  -2.946
  279TIP3   OH2 7145  -1.769  -3.959  -4.317
  279TIP3    H1 7146  -1.799  -3.987  -4.228
  279TIP3    H2 7147  -1.845  -3.905  -4.346
  280TIP3   OH2 7148  -2.460  -3.956  -3.602
  280TIP3    H1 7149  -2.403  -3.956  -3.523
  280TIP3    H2 7150  -2.404  -3.994  -3.670
  281TIP3   OH2 7151  -2.303  -3.911  -4.038
  281TIP3    H1 7152  -2.246  -3.862  -4.100
  281TIP3    H2 7153  -2.369  -3.842  -4.016
  282TIP3   OH2 7154  -1.324  -3.543  -3.057
  282TIP3    H1 7155  -1.282  -3.617  -3.108
  282TIP3    H2 7156  -1.360  -3.591  -2.981
  283TIP3   OH2 7157  -1.605  -3.941  -3.560
  283TIP3    H1 7158  -1.698  -3.959  -3.539
  283TIP3    H2 7159  -1.561  -3.973  -3.479
  284TIP3   OH2 7160  -2.147  -3.828  -3.690
  284TIP3    H1 7161  -2.229  -3.800  -3.735
  284TIP3    H2 7162  -2.120  -3.909  -3.737
  285TIP3   OH2 7163  -1.788  -3.785  -3.921
  285TIP3    H1 7164  -1.691  -3.783  -3.917
  285TIP3    H2 7165  -1.811  -3.729  -3.997
  286TIP3   OH2 7166  -1.171  -4.032  -3.256
  286TIP3    H1 7167  -1.234  -4.035  -3.181
  286TIP3    H2 7168  -1.228  -4.064  -3.327
  287TIP3   OH2 7169  -1.926  -3.676  -4.157
  287TIP3    H1 7170  -1.992  -3.721  -4.213
  287TIP3    H2 7171  -1.856  -3.653  -4.220
  288TIP3   OH2 7172  -0.864  -2.456  -2.587
  288TIP3    H1 7173  -0.846  -2.411  -2.672
  288TIP3    H2 7174  -0.790  -2.426  -2.533
  289TIP3   OH2 7175  -2.074  -3.194  -2.647
  289TIP3    H1 7176  -2.007  -3.186  -2.576
  289TIP3    H2 7177  -2.155  -3.197  -2.591
  290TIP3   OH2 7178  -1.502  -3.693  -3.373
  290TIP3    H1 7179  -1.432  -3.739  -3.422
  290TIP3    H2 7180  -1.521  -3.756  -3.301
  291TIP3   OH2 7181  -1.988  -4.066  -3.757
  291TIP3    H1 7182  -2.034  -4.151  -3.743
  291TIP3    H2 7183  -1.901  -4.095  -3.788
  292TIP3   OH2 7184  -1.606  -3.848  -3.150
  292TIP3    H1 7185  -1.683  -3.788  -3.148
  292TIP3    H2 7186  -1.557  -3.822  -3.069
  293TIP3   OH2 7187  -1.591  -3.212  -3.960
  293TIP3    H1 7188  -1.669  -3.260  -3.994
  293TIP3    H2 7189  -1.611  -3.205  -3.864
  294TIP3   OH2 7190  -0.868  -3.296  -3.088
  294TIP3    H1 7191  -0.821  -3.240  -3.153
  294TIP3    H2 7192  -0.955  -3.307  -3.131
  295TIP3   OH2 7193  -1.171  -3.929  -4.187
  295TIP3    H1 7194  -1.268  -3.937  -4.188
  295TIP3    H2 7195  -1.153  -3.856  -4.126
  296TIP3   OH2 7196  -1.426  -3.208  -2.829
  296TIP3    H1 7197  -1.458  -3.241  -2.743
  296TIP3    H2 7198  -1.459  -3.116  -2.828
  297TIP3   OH2 7199  -1.115  -3.749  -3.988
  297TIP3    H1 7200  -1.029  -3.765  -3.945
  297TIP3    H2 7201  -1.102  -3.661  -4.029
  298TIP3   OH2 7202  -2.078  -3.270  -3.378
  298TIP3    H1 7203  -2.022  -3.282  -3.457
  298TIP3    H2 7204  -2.068  -3.356  -3.334
  299TIP3   OH2 7205  -1.343  -3.076  -4.064
  299TIP3    H1 7206  -1.374  -2.987  -4.038
  299TIP3    H2 7207  -1.423  -3.128  -4.047
  300TIP3   OH2 7208  -2.353  -3.443  -2.852
  300TIP3    H1 7209  -2.336  -3.487  -2.766
  300TIP3    H2 7210  -2.412  -3.506  -2.897
  301TIP3   OH2 7211  -1.655  -3.491  -2.654
  301TIP3    H1 7212  -1.690  -3.518  -2.741
  301TIP3    H2 7213  -1.562  -3.520  -2.662
  302TIP3   OH2 7214  -1.201  -2.948  -2.881
  302TIP3    H1 7215  -1.298  -2.941  -2.888
  302TIP3    H2 7216  -1.186  -2.924  -2.788
  303TIP3   OH2 7217  -0.640  -3.735  -3.998
  303TIP3    H1 7218  -0.704  -3.760  -4.068
  303TIP3    H2 7219  -0.635  -3.640  -4.018
  304TIP3   OH2 7220  -0.603  -3.140  -2.723
  304TIP3    H1 7221  -0.696  -3.119  -2.743
  304TIP3    H2 7222  -0.568  -3.158  -2.812
  305TIP3   OH2 7223  -0.817  -2.882  -3.987
  305TIP3    H1 7224  -0.852  -2.959  -3.941
  305TIP3    H2 7225  -0.791  -2.917  -4.074
  306TIP3   OH2 7226  -1.103  -3.351  -3.257
  306TIP3    H1 7227  -1.197  -3.366  -3.280
  306TIP3    H2 7228  -1.061  -3.423  -3.306
  307TIP3   OH2 7229  -1.840  -2.942  -3.653
  307TIP3    H1 7230  -1.799  -2.855  -3.665
  307TIP3    H2 7231  -1.932  -2.924  -3.676
  308TIP3   OH2 7232  -2.234  -3.451  -4.198
  308TIP3    H1 7233  -2.178  -3.385  -4.154
  308TIP3    H2 7234  -2.323  -3.427  -4.166
  309TIP3   OH2 7235  -1.657  -3.173  -3.690
  309TIP3    H1 7236  -1.687  -3.082  -3.676
  309TIP3    H2 7237  -1.728  -3.223  -3.647
  310TIP3   OH2 7238  -1.641  -2.747  -3.055
  310TIP3    H1 7239  -1.585  -2.672  -3.082
  310TIP3    H2 7240  -1.580  -2.796  -2.998
  311TIP3   OH2 7241  -1.796  -2.653  -3.730
  311TIP3    H1 7242  -1.892  -2.638  -3.726
  311TIP3    H2 7243  -1.762  -2.564  -3.708
  312TIP3   OH2 7244  -1.300  -3.172  -3.098
  312TIP3    H1 7245  -1.330  -3.199  -3.009
  312TIP3    H2 7246  -1.227  -3.234  -3.114
  313TIP3   OH2 7247  -1.086  -3.033  -4.199
  313TIP3    H1 7248  -1.036  -3.079  -4.128
  313TIP3    H2 7249  -1.176  -3.051  -4.168
  314TIP3   OH2 7250  -1.004  -2.716  -2.860
  314TIP3    H1 7251  -1.081  -2.761  -2.899
  314TIP3    H2 7252  -0.997  -2.635  -2.915
  315TIP3   OH2 7253  -0.594  -2.593  -4.153
  315TIP3    H1 7254  -0.525  -2.525  -4.139
  315TIP3    H2 7255  -0.676  -2.541  -4.137
  316TIP3   OH2 7256  -2.219  -3.961  -2.894
  316TIP3    H1 7257  -2.310  -3.944  -2.925
  316TIP3    H2 7258  -2.234  -4.047  -2.848
  317TIP3   OH2 7259  -0.983  -3.185  -3.973
  317TIP3    H1 7260  -1.014  -3.251  -3.908
  317TIP3    H2 7261  -0.887  -3.187  -3.958
  318TIP3   OH2 7262  -2.244  -2.803  -3.051
  318TIP3    H1 7263  -2.215  -2.894  -3.033
  318TIP3    H2 7264  -2.224  -2.762  -2.966
  319TIP3   OH2 7265  -1.627  -2.951  -4.328
  319TIP3    H1 7266  -1.597  -3.041  -4.351
  319TIP3    H2 7267  -1.685  -2.970  -4.252
  320TIP3   OH2 7268  -1.779  -2.986  -4.076
  320TIP3    H1 7269  -1.726  -3.036  -4.013
  320TIP3    H2 7270  -1.759  -2.893  -4.050
  321TIP3   OH2 7271  -2.091  -3.248  -4.033
  321TIP3    H1 7272  -2.167  -3.206  -3.988
  321TIP3    H2 7273  -2.047  -3.170  -4.071
  322TIP3   OH2 7274  -1.330  -4.008  -3.026
  322TIP3    H1 7275  -1.267  -3.982  -2.957
  322TIP3    H2 7276  -1.366  -4.092  -2.992
  323TIP3   OH2 7277  -1.253  -4.049  -3.922
  323TIP3    H1 7278  -1.232  -3.991  -3.997
  323TIP3    H2 7279  -1.214  -4.000  -3.847
  324TIP3   OH2 7280  -1.482  -2.826  -4.025
  324TIP3    H1 7281  -1.563  -2.776  -4.005
  324TIP3    H2 7282  -1.434  -2.762  -4.080
  325TIP3   OH2 7283  -1.518  -3.849  -3.812
  325TIP3    H1 7284  -1.442  -3.790  -3.798
  325TIP3    H2 7285  -1.548  -3.866  -3.721
  326TIP3   OH2 7286  -1.481  -3.759  -2.901
  326TIP3    H1 7287  -1.475  -3.710  -2.817
  326TIP3    H2 7288  -1.428  -3.837  -2.882
  327TIP3   OH2 7289  -1.442  -4.171  -3.714
  327TIP3    H1 7290  -1.475  -4.096  -3.662
  327TIP3    H2 7291  -1.389  -4.126  -3.782
  328TIP3   OH2 7292  -1.756  -2.709  -4.023
  328TIP3    H1 7293  -1.765  -2.625  -4.074
  328TIP3    H2 7294  -1.776  -2.679  -3.933
  329TIP3   OH2 7295  -1.889  -4.043  -4.075
  329TIP3    H1 7296  -1.894  -3.966  -4.015
  329TIP3    H2 7297  -1.806  -4.084  -4.044
  330TIP3   OH2 7298  -0.845  -3.962  -2.819
  330TIP3    H1 7299  -0.942  -3.952  -2.827
  330TIP3    H2 7300  -0.826  -3.992  -2.909
  331TIP3   OH2 7301  -1.002  -3.574  -3.413
  331TIP3    H1 7302  -1.085  -3.619  -3.437
  331TIP3    H2 7303  -0.954  -3.645  -3.364
  332TIP3   OH2 7304  -2.056  -2.950  -4.155
  332TIP3    H1 7305  -1.971  -2.924  -4.115
  332TIP3    H2 7306  -2.025  -2.995  -4.235
  333TIP3   OH2 7307  -2.228  -3.734  -4.251
  333TIP3    H1 7308  -2.214  -3.638  -4.238
  333TIP3    H2 7309  -2.317  -3.734  -4.290
  334TIP3   OH2 7310  -0.901  -2.690  -3.270
  334TIP3    H1 7311  -0.920  -2.609  -3.320
  334TIP3    H2 7312  -0.808  -2.673  -3.245
  335TIP3   OH2 7313  -2.221  -4.242  -3.353
  335TIP3    H1 7314  -2.180  -4.244  -3.441
  335TIP3    H2 7315  -2.201  -4.332  -3.325
  336TIP3   OH2 7316  -2.250  -2.883  -3.743
  336TIP3    H1 7317  -2.331  -2.834  -3.727
  336TIP3    H2 7318  -2.214  -2.837  -3.820
  337TIP3   OH2 7319  -2.311  -2.598  -2.630
  337TIP3    H1 7320  -2.253  -2.625  -2.556
  337TIP3    H2 7321  -2.350  -2.684  -2.656
  338TIP3   OH2 7322  -1.839  -2.689  -2.451
  338TIP3    H1 7323  -1.774  -2.756  -2.428
  338TIP3    H2 7324  -1.865  -2.718  -2.541
  339TIP3   OH2 7325  -1.418  -2.754  -4.326
  339TIP3    H1 7326  -1.502  -2.805  -4.332
  339TIP3    H2 7327  -1.355  -2.821  -4.356
  340TIP3   OH2 7328  -1.192  -2.867  -2.594
  340TIP3    H1 7329  -1.235  -2.946  -2.556
  340TIP3    H2 7330  -1.127  -2.844  -2.526
  341TIP3   OH2 7331  -1.057  -2.757  -4.278
  341TIP3    H1 7332  -1.057  -2.851  -4.253
  341TIP3    H2 7333  -0.991  -2.751  -4.347
  342TIP3   OH2 7334  -2.315  -3.235  -2.517
  342TIP3    H1 7335  -2.307  -3.326  -2.550
  342TIP3    H2 7336  -2.393  -3.204  -2.568
  343TIP3   OH2 7337  -1.899  -3.204  -4.308
  343TIP3    H1 7338  -1.854  -3.244  -4.232
  343TIP3    H2 7339  -1.828  -3.179  -4.370
  344TIP3   OH2 7340  -1.651  -3.215  -2.583
  344TIP3    H1 7341  -1.684  -3.183  -2.669
  344TIP3    H2 7342  -1.645  -3.312  -2.597
  345TIP3   OH2 7343  -1.335  -3.081   4.296
  345TIP3    H1 7344  -1.346  -3.064   4.389
  345TIP3    H2 7345  -1.342  -3.177   4.290
  346TIP3   OH2 7346  -1.116  -3.255  -2.844
  346TIP3    H1 7347  -1.039  -3.198  -2.862
  346TIP3    H2 7348  -1.188  -3.190  -2.845
  347TIP3   OH2 7349  -2.229  -3.522  -2.600
  347TIP3    H1 7350  -2.155  -3.586  -2.598
  347TIP3    H2 7351  -2.234  -3.499  -2.506
  348TIP3   OH2 7352  -1.784  -3.384  -4.093
  348TIP3    H1 7353  -1.848  -3.426  -4.033
  348TIP3    H2 7354  -1.753  -3.461  -4.145
  349TIP3   OH2 7355  -1.865  -3.609  -2.857
  349TIP3    H1 7356  -1.918  -3.530  -2.836
  349TIP3    H2 7357  -1.799  -3.572  -2.919
  350TIP3   OH2 7358  -1.663  -3.571  -4.275
  350TIP3    H1 7359  -1.664  -3.598  -4.368
  350TIP3    H2 7360  -1.567  -3.581  -4.254
  351TIP3   OH2 7361  -1.333  -3.338  -2.501
  351TIP3    H1 7362  -1.243  -3.358  -2.530
  351TIP3    H2 7363  -1.359  -3.421  -2.459
  352TIP3   OH2 7364  -1.805  -3.879  -2.746
  352TIP3    H1 7365  -1.797  -3.944  -2.817
  352TIP3    H2 7366  -1.826  -3.798  -2.795
  353TIP3   OH2 7367  -1.767  -4.037  -3.003
  353TIP3    H1 7368  -1.714  -3.982  -3.065
  353TIP3    H2 7369  -1.858  -4.027  -3.037
  354TIP3   OH2 7370  -1.617  -3.487  -2.957
  354TIP3    H1 7371  -1.533  -3.495  -3.005
  354TIP3    H2 7372  -1.648  -3.400  -2.987
  355TIP3   OH2 7373  -1.159  -3.693  -2.481
  355TIP3    H1 7374  -1.141  -3.786  -2.460
  355TIP3    H2 7375  -1.069  -3.656  -2.482
  356TIP3   OH2 7376  -1.061  -3.414  -2.629
  356TIP3    H1 7377  -1.096  -3.354  -2.698
  356TIP3    H2 7378  -0.972  -3.431  -2.667
  357TIP3   OH2 7379  -1.983  -3.696  -2.563
  357TIP3    H1 7380  -2.036  -3.777  -2.561
  357TIP3    H2 7381  -1.903  -3.726  -2.607
  358TIP3   OH2 7382  -1.718  -4.278  -2.882
  358TIP3    H1 7383  -1.707  -4.187  -2.916
  358TIP3    H2 7384  -1.811  -4.292  -2.903
  359TIP3   OH2 7385  -1.571  -3.843  -2.586
  359TIP3    H1 7386  -1.602  -3.871  -2.497
  359TIP3    H2 7387  -1.652  -3.863  -2.637
  360TIP3   OH2 7388  -1.312  -3.944  -2.687
  360TIP3    H1 7389  -1.401  -3.931  -2.650
  360TIP3    H2 7390  -1.275  -4.010  -2.625
  361TIP3   OH2 7391  -1.138  -4.136  -2.518
  361TIP3    H1 7392  -1.155  -4.224  -2.481
  361TIP3    H2 7393  -1.154  -4.077  -2.443
  362TIP3   OH2 7394  -2.106  -3.959  -2.575
  362TIP3    H1 7395  -2.131  -4.021  -2.646
  362TIP3    H2 7396  -2.148  -3.998  -2.497
  363TIP3   OH2 7397  -1.608  -4.145  -2.476
  363TIP3    H1 7398  -1.631  -4.228  -2.522
  363TIP3    H2 7399  -1.694  -4.100  -2.469
  364TIP3   OH2 7400  -1.707  -2.452  -4.167
  364TIP3    H1 7401  -1.610  -2.448  -4.166
  364TIP3    H2 7402  -1.732  -2.400  -4.246
  365TIP3   OH2 7403  -2.316  -3.060  -4.194
  365TIP3    H1 7404  -2.229  -3.015  -4.196
  365TIP3    H2 7405  -2.316  -3.107  -4.279
  366TIP3   OH2 7406  -2.425  -2.498  -3.716
  366TIP3    H1 7407  -2.496  -2.535  -3.771
  366TIP3    H2 7408  -2.413  -2.568  -3.649
  367TIP3   OH2 7409  -2.385  -2.697  -3.520
  367TIP3    H1 7410  -2.413  -2.786  -3.490
  367TIP3    H2 7411  -2.349  -2.664  -3.436
  368TIP3   OH2 7412  -0.629  -2.574  -3.219
  368TIP3    H1 7413  -0.614  -2.573  -3.124
  368TIP3    H2 7414  -0.545  -2.542  -3.252
  369TIP3   OH2 7415  -0.640  -2.628  -2.932
  369TIP3    H1 7416  -0.692  -2.703  -2.967
  369TIP3    H2 7417  -0.585  -2.674  -2.867
  370TIP3   OH2 7418  -0.839  -3.085  -2.502
  370TIP3    H1 7419  -0.928  -3.078  -2.463
  370TIP3    H2 7420  -0.795  -3.004  -2.471
  371TIP3   OH2 7421  -0.697  -3.211  -3.927
  371TIP3    H1 7422  -0.609  -3.170  -3.914
  371TIP3    H2 7423  -0.703  -3.267  -3.848
  372TIP3   OH2 7424  -0.627  -3.407  -3.702
  372TIP3    H1 7425  -0.709  -3.454  -3.679
  372TIP3    H2 7426  -0.577  -3.409  -3.619
  373TIP3   OH2 7427  -0.673  -3.157  -3.233
  373TIP3    H1 7428  -0.612  -3.197  -3.297
  373TIP3    H2 7429  -0.672  -3.064  -3.260
  374TIP3   OH2 7430  -0.811  -2.858  -3.009
  374TIP3    H1 7431  -0.883  -2.816  -2.960
  374TIP3    H2 7432  -0.858  -2.892  -3.088
  375TIP3   OH2 7433  -0.624  -3.431  -4.113
  375TIP3    H1 7434  -0.697  -3.408  -4.173
  375TIP3    H2 7435  -0.640  -3.366  -4.043
  376TIP3   OH2 7436  -0.804  -3.697  -4.215
  376TIP3    H1 7437  -0.780  -3.625  -4.276
  376TIP3    H2 7438  -0.771  -3.774  -4.261
  377TIP3   OH2 7439  -0.851  -3.578  -3.651
  377TIP3    H1 7440  -0.861  -3.672  -3.672
  377TIP3    H2 7441  -0.894  -3.572  -3.563
  378TIP3   OH2 7442  -2.376  -3.363  -3.280
  378TIP3    H1 7443  -2.351  -3.359  -3.374
  378TIP3    H2 7444  -2.290  -3.386  -3.239
  379TIP3   OH2 7445  -0.800  -3.393  -2.738
  379TIP3    H1 7446  -0.727  -3.455  -2.719
  379TIP3    H2 7447  -0.753  -3.310  -2.753
  380TIP3   OH2 7448  -0.644  -3.583  -2.614
  380TIP3    H1 7449  -0.724  -3.636  -2.638
  380TIP3    H2 7450  -0.575  -3.652  -2.616
  381TIP3   OH2 7451  -0.886  -4.020  -4.340
  381TIP3    H1 7452  -0.827  -4.045  -4.267
  381TIP3    H2 7453  -0.974  -4.048  -4.310
  382TIP3   OH2 7454  -0.882  -3.823  -3.833
  382TIP3    H1 7455  -0.864  -3.920  -3.825
  382TIP3    H2 7456  -0.797  -3.793  -3.871
  383TIP3   OH2 7457  -0.851  -3.770  -3.292
  383TIP3    H1 7458  -0.753  -3.772  -3.292
  383TIP3    H2 7459  -0.867  -3.777  -3.196
  384TIP3   OH2 7460  -0.836  -3.704  -3.007
  384TIP3    H1 7461  -0.921  -3.665  -2.980
  384TIP3    H2 7462  -0.784  -3.626  -3.028
  385TIP3   OH2 7463  -2.392  -3.836  -2.629
  385TIP3    H1 7464  -2.299  -3.858  -2.643
  385TIP3    H2 7465  -2.434  -3.923  -2.630
  386TIP3   OH2 7466  -0.619  -4.275  -2.428
  386TIP3    H1 7467  -0.573  -4.356  -2.451
  386TIP3    H2 7468  -0.618  -4.218  -2.508
  387TIP3   OH2 7469  -0.850  -4.095  -3.822
  387TIP3    H1 7470  -0.821  -4.148  -3.746
  387TIP3    H2 7471  -0.910  -4.157  -3.866
  388TIP3   OH2 7472  -2.316  -3.990  -3.360
  388TIP3    H1 7473  -2.285  -4.082  -3.350
  388TIP3    H2 7474  -2.241  -3.940  -3.322
  389TIP3   OH2 7475  -2.456  -3.727  -3.258
  389TIP3    H1 7476  -2.395  -3.733  -3.333
  389TIP3    H2 7477  -2.417  -3.654  -3.208
  390TIP3   OH2 7478  -0.642  -4.111  -2.645
  390TIP3    H1 7479  -0.727  -4.065  -2.638
  390TIP3    H2 7480  -0.652  -4.148  -2.735
  391TIP3   OH2 7481  -0.631  -4.073  -4.174
  391TIP3    H1 7482  -0.605  -4.145  -4.233
  391TIP3    H2 7483  -0.548  -4.022  -4.166
  392TIP3   OH2 7484  -2.400  -4.101  -3.853
  392TIP3    H1 7485  -2.495  -4.095  -3.872
  392TIP3    H2 7486  -2.362  -4.033  -3.912
  393TIP3   OH2 7487  -0.943  -2.572  -3.641
  393TIP3    H1 7488  -0.895  -2.595  -3.722
  393TIP3    H2 7489  -0.874  -2.530  -3.587
  394TIP3   OH2 7490  -2.424  -4.127  -3.000
  394TIP3    H1 7491  -2.425  -4.220  -2.972
  394TIP3    H2 7492  -2.443  -4.136  -3.095
  395TIP3   OH2 7493  -2.201  -2.895  -2.568
  395TIP3    H1 7494  -2.275  -2.898  -2.630
  395TIP3    H2 7495  -2.245  -2.903  -2.482
  396TIP3   OH2 7496  -1.917  -2.799  -3.000
  396TIP3    H1 7497  -1.948  -2.713  -3.034
  396TIP3    H2 7498  -1.821  -2.789  -3.017
  397TIP3   OH2 7499  -1.466  -2.668  -2.699
  397TIP3    H1 7500  -1.453  -2.684  -2.604
  397TIP3    H2 7501  -1.383  -2.623  -2.723
  398TIP3   OH2 7502  -1.236  -2.521  -2.774
  398TIP3    H1 7503  -1.169  -2.587  -2.796
  398TIP3    H2 7504  -1.207  -2.492  -2.685
  399TIP3   OH2 7505  -0.778  -4.275  -2.854
  399TIP3    H1 7506  -0.831  -4.216  -2.911
  399TIP3    H2 7507  -0.757  -4.344  -2.918
  400TIP3   OH2 7508  -2.180  -2.503  -2.967
  400TIP3    H1 7509  -2.240  -2.439  -3.010
  400TIP3    H2 7510  -2.211  -2.499  -2.876
  401TIP3   OH2 7511  -1.930  -2.525  -3.111
  401TIP3    H1 7512  -2.016  -2.507  -3.067
  401TIP3    H2 7513  -1.927  -2.456  -3.179
  402TIP3   OH2 7514  -1.455  -2.526  -3.155
  402TIP3    H1 7515  -1.494  -2.481  -3.233
  402TIP3    H2 7516  -1.448  -2.451  -3.092
  403TIP3   OH2 7517  -1.222  -2.654  -3.063
  403TIP3    H1 7518  -1.307  -2.618  -3.096
  403TIP3    H2 7519  -1.167  -2.575  -3.065
  404TIP3   OH2 7520  -0.968  -2.481  -3.044
  404TIP3    H1 7521  -0.974  -2.386  -3.066
  404TIP3    H2 7522  -0.942  -2.517  -3.131
  405TIP3   OH2 7523  -2.222  -2.623  -3.272
  405TIP3    H1 7524  -2.224  -2.672  -3.187
  405TIP3    H2 7525  -2.146  -2.667  -3.316
  406TIP3   OH2 7526  -2.020  -2.747  -3.427
  406TIP3    H1 7527  -2.036  -2.840  -3.402
  406TIP3    H2 7528  -1.929  -2.733  -3.396
  407TIP3   OH2 7529  -1.743  -2.701  -3.339
  407TIP3    H1 7530  -1.725  -2.794  -3.362
  407TIP3    H2 7531  -1.737  -2.705  -3.243
  408TIP3   OH2 7532  -1.415  -4.112  -3.412
  408TIP3    H1 7533  -1.477  -4.182  -3.383
  408TIP3    H2 7534  -1.354  -4.162  -3.469
  409TIP3   OH2 7535  -0.885  -4.327  -3.363
  409TIP3    H1 7536  -0.826  -4.290  -3.431
  409TIP3    H2 7537  -0.973  -4.307  -3.398
  410TIP3   OH2 7538  -0.691  -4.224  -3.583
  410TIP3    H1 7539  -0.637  -4.248  -3.659
  410TIP3    H2 7540  -0.672  -4.129  -3.572
  411TIP3   OH2 7541  -2.179  -4.282  -3.678
  411TIP3    H1 7542  -2.270  -4.306  -3.699
  411TIP3    H2 7543  -2.143  -4.364  -3.642
  412TIP3   OH2 7544  -2.318  -4.282  -4.068
  412TIP3    H1 7545  -2.266  -4.231  -4.134
  412TIP3    H2 7546  -2.352  -4.211  -4.011
  413TIP3   OH2 7547  -1.729  -4.226  -3.652
  413TIP3    H1 7548  -1.635  -4.235  -3.672
  413TIP3    H2 7549  -1.743  -4.293  -3.584
  414TIP3   OH2 7550  -1.172  -4.264  -3.516
  414TIP3    H1 7551  -1.141  -4.263  -3.607
  414TIP3    H2 7552  -1.188  -4.358  -3.499
  415TIP3   OH2 7553  -1.067  -4.270  -3.915
  415TIP3    H1 7554  -1.141  -4.215  -3.946
  415TIP3    H2 7555  -1.104  -4.360  -3.919
  416TIP3   OH2 7556  -2.295  -2.699  -3.960
  416TIP3    H1 7557  -2.361  -2.698  -4.031
  416TIP3    H2 7558  -2.282  -2.605  -3.946
  417TIP3   OH2 7559  -2.128  -4.125  -4.223
  417TIP3    H1 7560  -2.066  -4.163  -4.286
  417TIP3    H2 7561  -2.070  -4.063  -4.176
  418TIP3   OH2 7562  -1.607  -4.057  -3.985
  418TIP3    H1 7563  -1.597  -4.142  -3.937
  418TIP3    H2 7564  -1.585  -3.991  -3.917
  419TIP3   OH2 7565  -1.414  -2.530  -4.147
  419TIP3    H1 7566  -1.317  -2.518  -4.145
  419TIP3    H2 7567  -1.422  -2.593  -4.221
  420TIP3   OH2 7568  -0.749  -2.614  -3.880
  420TIP3    H1 7569  -0.778  -2.697  -3.924
  420TIP3    H2 7570  -0.771  -2.547  -3.948
  421TIP3   OH2 7571  -2.216  -4.178  -2.732
  421TIP3    H1 7572  -2.262  -4.257  -2.699
  421TIP3    H2 7573  -2.128  -4.217  -2.744
  422TIP3   OH2 7574  -1.923  -4.279  -2.467
  422TIP3    H1 7575  -1.836  -4.305  -2.505
  422TIP3    H2 7576  -1.946  -4.357  -2.416
  423TIP3   OH2 7577  -2.050  -2.563  -4.195
  423TIP3    H1 7578  -2.146  -2.565  -4.182
  423TIP3    H2 7579  -2.033  -2.647  -4.239
  424TIP3   OH2 7580  -0.809  -2.734  -2.641
  424TIP3    H1 7581  -0.883  -2.754  -2.702
  424TIP3    H2 7582  -0.827  -2.641  -2.620
  425TIP3   OH2 7583   0.614  -3.366  -3.629
  425TIP3    H1 7584   0.611  -3.270  -3.617
  425TIP3    H2 7585   0.535  -3.381  -3.683
  426TIP3   OH2 7586   0.496  -3.421  -3.320
  426TIP3    H1 7587   0.497  -3.475  -3.240
  426TIP3    H2 7588   0.462  -3.487  -3.384
  427TIP3   OH2 7589  -0.249  -3.452  -3.171
  427TIP3    H1 7590  -0.261  -3.526  -3.108
  427TIP3    H2 7591  -0.188  -3.397  -3.119
  428TIP3   OH2 7592   0.864  -3.148  -3.488
  428TIP3    H1 7593   0.827  -3.220  -3.435
  428TIP3    H2 7594   0.894  -3.087  -3.418
  429TIP3   OH2 7595  -0.185  -3.014  -3.318
  429TIP3    H1 7596  -0.213  -3.106  -3.323
  429TIP3    H2 7597  -0.094  -3.023  -3.284
  430TIP3   OH2 7598  -0.498  -3.658  -3.741
  430TIP3    H1 7599  -0.535  -3.570  -3.756
  430TIP3    H2 7600  -0.554  -3.713  -3.797
  431TIP3   OH2 7601   0.569  -2.613  -3.431
  431TIP3    H1 7602   0.628  -2.684  -3.463
  431TIP3    H2 7603   0.544  -2.646  -3.344
  432TIP3   OH2 7604   0.345  -3.171  -3.263
  432TIP3    H1 7605   0.377  -3.243  -3.319
  432TIP3    H2 7606   0.426  -3.155  -3.211
  433TIP3   OH2 7607   1.202  -4.017  -3.207
  433TIP3    H1 7608   1.234  -3.972  -3.127
  433TIP3    H2 7609   1.267  -3.986  -3.273
  434TIP3   OH2 7610   0.675  -3.739  -3.212
  434TIP3    H1 7611   0.692  -3.835  -3.210
  434TIP3    H2 7612   0.660  -3.724  -3.306
  435TIP3   OH2 7613   0.757  -3.922  -3.672
  435TIP3    H1 7614   0.815  -3.968  -3.607
  435TIP3    H2 7615   0.823  -3.878  -3.727
  436TIP3   OH2 7616  -0.347  -3.615  -3.457
  436TIP3    H1 7617  -0.293  -3.684  -3.415
  436TIP3    H2 7618  -0.361  -3.656  -3.545
  437TIP3   OH2 7619   1.295  -3.848  -2.941
  437TIP3    H1 7620   1.219  -3.797  -2.975
  437TIP3    H2 7621   1.256  -3.891  -2.864
  438TIP3   OH2 7622  -0.148  -4.049  -3.096
  438TIP3    H1 7623  -0.177  -3.991  -3.169
  438TIP3    H2 7624  -0.216  -4.028  -3.028
  439TIP3   OH2 7625   0.599  -3.083  -3.749
  439TIP3    H1 7626   0.571  -3.104  -3.838
  439TIP3    H2 7627   0.557  -2.997  -3.733
  440TIP3   OH2 7628   0.145  -3.270  -3.073
  440TIP3    H1 7629   0.071  -3.210  -3.054
  440TIP3    H2 7630   0.208  -3.212  -3.120
  441TIP3   OH2 7631   0.952  -4.011  -3.469
  441TIP3    H1 7632   0.904  -4.067  -3.407
  441TIP3    H2 7633   0.997  -3.949  -3.410
  442TIP3   OH2 7634  -0.160  -3.872  -3.324
  442TIP3    H1 7635  -0.101  -3.806  -3.282
  442TIP3    H2 7636  -0.113  -3.879  -3.409
  443TIP3   OH2 7637  -0.062  -3.083  -3.016
  443TIP3    H1 7638  -0.060  -2.987  -3.034
  443TIP3    H2 7639  -0.143  -3.089  -2.962
  444TIP3   OH2 7640  -0.427  -3.113  -3.914
  444TIP3    H1 7641  -0.443  -3.076  -4.003
  444TIP3    H2 7642  -0.411  -3.035  -3.858
  445TIP3   OH2 7643   0.920  -2.968  -3.240
  445TIP3    H1 7644   0.823  -2.955  -3.237
  445TIP3    H2 7645   0.948  -2.882  -3.275
  446TIP3   OH2 7646   0.963  -4.109  -3.065
  446TIP3    H1 7647   0.882  -4.079  -3.110
  446TIP3    H2 7648   1.028  -4.099  -3.137
  447TIP3   OH2 7649   0.276   4.370  -3.328
  447TIP3    H1 7650   0.272   4.286  -3.375
  447TIP3    H2 7651   0.186   4.407  -3.333
  448TIP3   OH2 7652   0.749  -2.773  -3.586
  448TIP3    H1 7653   0.798  -2.853  -3.613
  448TIP3    H2 7654   0.819  -2.705  -3.590
  449TIP3   OH2 7655   0.895  -2.986  -3.719
  449TIP3    H1 7656   0.845  -3.033  -3.787
  449TIP3    H2 7657   0.891  -3.050  -3.645
  450TIP3   OH2 7658   1.050  -3.105  -2.871
  450TIP3    H1 7659   1.039  -3.169  -2.943
  450TIP3    H2 7660   1.062  -3.021  -2.920
  451TIP3   OH2 7661   0.480  -3.415  -3.906
  451TIP3    H1 7662   0.413  -3.355  -3.944
  451TIP3    H2 7663   0.553  -3.408  -3.968
  452TIP3   OH2 7664   0.494  -3.591  -4.207
  452TIP3    H1 7665   0.561  -3.562  -4.143
  452TIP3    H2 7666   0.549  -3.652  -4.262
  453TIP3   OH2 7667   1.226  -3.488  -3.077
  453TIP3    H1 7668   1.153  -3.423  -3.068
  453TIP3    H2 7669   1.273  -3.453  -3.155
  454TIP3   OH2 7670   0.827  -3.415  -3.795
  454TIP3    H1 7671   0.758  -3.394  -3.728
  454TIP3    H2 7672   0.887  -3.472  -3.742
  455TIP3   OH2 7673   0.812  -3.562  -2.910
  455TIP3    H1 7674   0.816  -3.481  -2.857
  455TIP3    H2 7675   0.746  -3.533  -2.976
  456TIP3   OH2 7676   0.120  -3.001  -3.342
  456TIP3    H1 7677   0.121  -3.036  -3.431
  456TIP3    H2 7678   0.200  -3.043  -3.304
  457TIP3   OH2 7679   0.028  -3.395  -3.314
  457TIP3    H1 7680   0.081  -3.462  -3.361
  457TIP3    H2 7681   0.078  -3.385  -3.230
  458TIP3   OH2 7682   0.638  -2.904  -3.210
  458TIP3    H1 7683   0.642  -2.838  -3.139
  458TIP3    H2 7684   0.617  -2.987  -3.162
  459TIP3   OH2 7685   0.130  -3.024  -2.783
  459TIP3    H1 7686   0.080  -2.957  -2.733
  459TIP3    H2 7687   0.065  -3.050  -2.852
  460TIP3   OH2 7688   0.735  -3.467  -4.057
  460TIP3    H1 7689   0.776  -3.443  -3.971
  460TIP3    H2 7690   0.797  -3.425  -4.120
  461TIP3   OH2 7691  -0.182  -3.378  -2.880
  461TIP3    H1 7692  -0.172  -3.327  -2.797
  461TIP3    H2 7693  -0.276  -3.400  -2.878
  462TIP3   OH2 7694   0.461  -2.811  -3.692
  462TIP3    H1 7695   0.517  -2.784  -3.618
  462TIP3    H2 7696   0.421  -2.727  -3.719
  463TIP3   OH2 7697  -0.060  -2.807  -2.702
  463TIP3    H1 7698  -0.072  -2.802  -2.799
  463TIP3    H2 7699  -0.148  -2.834  -2.670
  464TIP3   OH2 7700   1.057  -4.338  -4.126
  464TIP3    H1 7701   0.996  -4.330  -4.050
  464TIP3    H2 7702   1.119  -4.267  -4.107
  465TIP3   OH2 7703  -0.129  -3.432  -3.812
  465TIP3    H1 7704  -0.135  -3.386  -3.897
  465TIP3    H2 7705  -0.149  -3.524  -3.834
  466TIP3   OH2 7706   1.183  -2.876  -4.253
  466TIP3    H1 7707   1.207  -2.792  -4.210
  466TIP3    H2 7708   1.260  -2.933  -4.235
  467TIP3   OH2 7709  -0.510  -3.197  -2.994
  467TIP3    H1 7710  -0.565  -3.196  -3.076
  467TIP3    H2 7711  -0.504  -3.292  -2.974
  468TIP3   OH2 7712  -0.510  -2.904  -3.298
  468TIP3    H1 7713  -0.417  -2.929  -3.289
  468TIP3    H2 7714  -0.519  -2.842  -3.224
  469TIP3   OH2 7715   1.329  -2.842  -2.719
  469TIP3    H1 7716   1.317  -2.937  -2.736
  469TIP3    H2 7717   1.238  -2.817  -2.690
  470TIP3   OH2 7718   0.393  -2.919  -2.840
  470TIP3    H1 7719   0.402  -2.837  -2.787
  470TIP3    H2 7720   0.304  -2.949  -2.815
  471TIP3   OH2 7721   0.425  -2.540  -3.847
  471TIP3    H1 7722   0.423  -2.527  -3.944
  471TIP3    H2 7723   0.428  -2.449  -3.813
  472TIP3   OH2 7724  -0.198  -2.628  -3.681
  472TIP3    H1 7725  -0.181  -2.670  -3.594
  472TIP3    H2 7726  -0.285  -2.663  -3.702
  473TIP3   OH2 7727   0.730  -2.566  -4.102
  473TIP3    H1 7728   0.780  -2.601  -4.177
  473TIP3    H2 7729   0.748  -2.630  -4.030
  474TIP3   OH2 7730   0.697  -2.673  -3.849
  474TIP3    H1 7731   0.607  -2.642  -3.832
  474TIP3    H2 7732   0.714  -2.727  -3.770
  475TIP3   OH2 7733   1.009  -3.708  -2.680
  475TIP3    H1 7734   0.956  -3.669  -2.751
  475TIP3    H2 7735   1.015  -3.801  -2.709
  476TIP3   OH2 7736  -0.296  -3.040  -2.865
  476TIP3    H1 7737  -0.269  -3.088  -2.784
  476TIP3    H2 7738  -0.368  -3.097  -2.900
  477TIP3   OH2 7739   0.022  -4.216  -3.277
  477TIP3    H1 7740  -0.061  -4.244  -3.319
  477TIP3    H2 7741  -0.007  -4.137  -3.229
  478TIP3   OH2 7742   0.483  -4.260  -2.915
  478TIP3    H1 7743   0.498  -4.309  -2.833
  478TIP3    H2 7744   0.389  -4.277  -2.929
  479TIP3   OH2 7745   0.779  -3.863  -2.873
  479TIP3    H1 7746   0.719  -3.875  -2.797
  479TIP3    H2 7747   0.772  -3.768  -2.892
  480TIP3   OH2 7748   0.957  -3.386  -4.253
  480TIP3    H1 7749   0.912  -3.403  -4.337
  480TIP3    H2 7750   0.987  -3.295  -4.270
  481TIP3   OH2 7751   0.442  -3.997  -4.213
  481TIP3    H1 7752   0.387  -3.995  -4.132
  481TIP3    H2 7753   0.394  -4.065  -4.262
  482TIP3   OH2 7754   0.005  -3.718  -3.146
  482TIP3    H1 7755  -0.060  -3.703  -3.076
  482TIP3    H2 7756   0.003  -3.636  -3.197
  483TIP3   OH2 7757   0.570  -3.654  -3.785
  483TIP3    H1 7758   0.528  -3.572  -3.818
  483TIP3    H2 7759   0.632  -3.674  -3.856
  484TIP3   OH2 7760   0.483  -3.632  -2.649
  484TIP3    H1 7761   0.433  -3.707  -2.611
  484TIP3    H2 7762   0.570  -3.643  -2.606
  485TIP3   OH2 7763   0.651  -3.711  -3.504
  485TIP3    H1 7764   0.621  -3.654  -3.578
  485TIP3    H2 7765   0.669  -3.793  -3.554
  486TIP3   OH2 7766  -0.259  -3.691  -2.972
  486TIP3    H1 7767  -0.221  -3.667  -2.887
  486TIP3    H2 7768  -0.296  -3.779  -2.951
  487TIP3   OH2 7769   0.117  -3.958  -4.312
  487TIP3    H1 7770   0.089  -3.984  -4.223
  487TIP3    H2 7771   0.040  -3.908  -4.344
  488TIP3   OH2 7772  -0.566  -3.950  -3.601
  488TIP3    H1 7773  -0.512  -3.962  -3.521
  488TIP3    H2 7774  -0.517  -3.997  -3.670
  489TIP3   OH2 7775  -0.424  -3.917  -4.047
  489TIP3    H1 7776  -0.354  -3.868  -4.093
  489TIP3    H2 7777  -0.481  -3.845  -4.014
  490TIP3   OH2 7778   0.560  -3.543  -3.057
  490TIP3    H1 7779   0.603  -3.615  -3.110
  490TIP3    H2 7780   0.527  -3.592  -2.981
  491TIP3   OH2 7781   0.255  -3.967  -3.564
  491TIP3    H1 7782   0.169  -3.925  -3.546
  491TIP3    H2 7783   0.293  -3.975  -3.476
  492TIP3   OH2 7784  -0.241  -3.799  -3.736
  492TIP3    H1 7785  -0.336  -3.808  -3.724
  492TIP3    H2 7786  -0.204  -3.889  -3.728
  493TIP3   OH2 7787   0.087  -3.802  -3.933
  493TIP3    H1 7788   0.168  -3.781  -3.884
  493TIP3    H2 7789   0.067  -3.722  -3.982
  494TIP3   OH2 7790   0.715  -4.031  -3.254
  494TIP3    H1 7791   0.650  -4.035  -3.182
  494TIP3    H2 7792   0.662  -4.065  -3.327
  495TIP3   OH2 7793  -0.050  -3.663  -4.166
  495TIP3    H1 7794  -0.099  -3.731  -4.215
  495TIP3    H2 7795   0.035  -3.660  -4.212
  496TIP3   OH2 7796   1.018  -2.454  -2.589
  496TIP3    H1 7797   1.043  -2.409  -2.672
  496TIP3    H2 7798   1.091  -2.426  -2.530
  497TIP3   OH2 7799  -0.189  -3.194  -2.648
  497TIP3    H1 7800  -0.121  -3.187  -2.577
  497TIP3    H2 7801  -0.269  -3.196  -2.592
  498TIP3   OH2 7802   0.388  -3.677  -3.374
  498TIP3    H1 7803   0.445  -3.728  -3.431
  498TIP3    H2 7804   0.354  -3.743  -3.311
  499TIP3   OH2 7805  -0.100  -4.056  -3.730
  499TIP3    H1 7806  -0.139  -4.144  -3.730
  499TIP3    H2 7807  -0.018  -4.068  -3.779
  500TIP3   OH2 7808   0.279  -3.845  -3.156
  500TIP3    H1 7809   0.202  -3.785  -3.152
  500TIP3    H2 7810   0.329  -3.820  -3.076
  501TIP3   OH2 7811   0.289  -3.209  -3.957
  501TIP3    H1 7812   0.215  -3.261  -3.992
  501TIP3    H2 7813   0.273  -3.212  -3.860
  502TIP3   OH2 7814   1.016  -3.293  -3.087
  502TIP3    H1 7815   1.065  -3.239  -3.152
  502TIP3    H2 7816   0.930  -3.305  -3.132
  503TIP3   OH2 7817   0.711  -3.928  -4.193
  503TIP3    H1 7818   0.614  -3.938  -4.186
  503TIP3    H2 7819   0.733  -3.859  -4.127
  504TIP3   OH2 7820   0.454  -3.210  -2.830
  504TIP3    H1 7821   0.431  -3.241  -2.741
  504TIP3    H2 7822   0.428  -3.116  -2.827
  505TIP3   OH2 7823   0.771  -3.750  -3.990
  505TIP3    H1 7824   0.855  -3.766  -3.944
  505TIP3    H2 7825   0.785  -3.661  -4.029
  506TIP3   OH2 7826   0.538  -3.076  -4.070
  506TIP3    H1 7827   0.510  -2.987  -4.038
  506TIP3    H2 7828   0.462  -3.129  -4.041
  507TIP3   OH2 7829  -0.469  -3.443  -2.850
  507TIP3    H1 7830  -0.451  -3.487  -2.765
  507TIP3    H2 7831  -0.525  -3.507  -2.896
  508TIP3   OH2 7832   0.230  -3.493  -2.657
  508TIP3    H1 7833   0.202  -3.516  -2.747
  508TIP3    H2 7834   0.323  -3.521  -2.659
  509TIP3   OH2 7835   0.684  -2.951  -2.882
  509TIP3    H1 7836   0.587  -2.941  -2.887
  509TIP3    H2 7837   0.701  -2.924  -2.790
  510TIP3   OH2 7838   1.243  -3.738  -4.002
  510TIP3    H1 7839   1.177  -3.756  -4.072
  510TIP3    H2 7840   1.254  -3.643  -4.017
  511TIP3   OH2 7841   1.282  -3.141  -2.724
  511TIP3    H1 7842   1.188  -3.119  -2.742
  511TIP3    H2 7843   1.315  -3.158  -2.814
  512TIP3   OH2 7844   1.068  -2.881  -3.990
  512TIP3    H1 7845   1.036  -2.957  -3.940
  512TIP3    H2 7846   1.094  -2.921  -4.075
  513TIP3   OH2 7847   0.781  -3.350  -3.257
  513TIP3    H1 7848   0.688  -3.366  -3.281
  513TIP3    H2 7849   0.825  -3.423  -3.305
  514TIP3   OH2 7850   0.042  -2.947  -3.654
  514TIP3    H1 7851   0.092  -2.864  -3.663
  514TIP3    H2 7852  -0.047  -2.917  -3.677
  515TIP3   OH2 7853  -0.363  -3.407  -4.243
  515TIP3    H1 7854  -0.304  -3.379  -4.170
  515TIP3    H2 7855  -0.448  -3.413  -4.195
  516TIP3   OH2 7856   0.208  -3.190  -3.686
  516TIP3    H1 7857   0.179  -3.098  -3.673
  516TIP3    H2 7858   0.135  -3.240  -3.647
  517TIP3   OH2 7859   0.245  -2.747  -3.056
  517TIP3    H1 7860   0.301  -2.672  -3.082
  517TIP3    H2 7861   0.306  -2.797  -2.999
  518TIP3   OH2 7862   0.089  -2.652  -3.734
  518TIP3    H1 7863  -0.006  -2.636  -3.724
  518TIP3    H2 7864   0.126  -2.566  -3.708
  519TIP3   OH2 7865   0.586  -3.172  -3.099
  519TIP3    H1 7866   0.558  -3.200  -3.010
  519TIP3    H2 7867   0.659  -3.233  -3.116
  520TIP3   OH2 7868   0.796  -3.029  -4.200
  520TIP3    H1 7869   0.852  -3.072  -4.133
  520TIP3    H2 7870   0.709  -3.048  -4.160
  521TIP3   OH2 7871   0.880  -2.715  -2.859
  521TIP3    H1 7872   0.804  -2.759  -2.902
  521TIP3    H2 7873   0.892  -2.635  -2.913
  522TIP3   OH2 7874   1.293  -2.598  -4.160
  522TIP3    H1 7875   1.360  -2.528  -4.145
  522TIP3    H2 7876   1.210  -2.550  -4.140
  523TIP3   OH2 7877  -0.332  -3.960  -2.896
  523TIP3    H1 7878  -0.425  -3.943  -2.924
  523TIP3    H2 7879  -0.346  -4.046  -2.850
  524TIP3   OH2 7880   0.899  -3.182  -3.969
  524TIP3    H1 7881   0.873  -3.253  -3.907
  524TIP3    H2 7882   0.997  -3.185  -3.961
  525TIP3   OH2 7883  -0.356  -2.805  -3.051
  525TIP3    H1 7884  -0.329  -2.895  -3.026
  525TIP3    H2 7885  -0.338  -2.758  -2.968
  526TIP3   OH2 7886   0.247  -2.939  -4.337
  526TIP3    H1 7887   0.289  -3.023  -4.364
  526TIP3    H2 7888   0.200  -2.967  -4.256
  527TIP3   OH2 7889   0.104  -2.988  -4.075
  527TIP3    H1 7890   0.160  -3.039  -4.015
  527TIP3    H2 7891   0.125  -2.896  -4.049
  528TIP3   OH2 7892  -0.209  -3.251  -4.043
  528TIP3    H1 7893  -0.282  -3.215  -3.990
  528TIP3    H2 7894  -0.159  -3.170  -4.064
  529TIP3   OH2 7895   0.551  -4.004  -3.022
  529TIP3    H1 7896   0.619  -3.982  -2.957
  529TIP3    H2 7897   0.519  -4.091  -2.992
  530TIP3   OH2 7898   0.640  -4.050  -3.923
  530TIP3    H1 7899   0.656  -3.985  -3.993
  530TIP3    H2 7900   0.670  -4.002  -3.844
  531TIP3   OH2 7901   0.399  -2.827  -4.030
  531TIP3    H1 7902   0.325  -2.772  -4.000
  531TIP3    H2 7903   0.456  -2.761  -4.071
  532TIP3   OH2 7904   0.364  -3.855  -3.805
  532TIP3    H1 7905   0.438  -3.793  -3.788
  532TIP3    H2 7906   0.327  -3.868  -3.716
  533TIP3   OH2 7907   0.400  -3.759  -2.899
  533TIP3    H1 7908   0.413  -3.711  -2.815
  533TIP3    H2 7909   0.455  -3.837  -2.887
  534TIP3   OH2 7910   0.440  -4.166  -3.714
  534TIP3    H1 7911   0.409  -4.090  -3.662
  534TIP3    H2 7912   0.496  -4.124  -3.782
  535TIP3   OH2 7913   0.117  -2.706  -4.026
  535TIP3    H1 7914   0.127  -2.621  -4.074
  535TIP3    H2 7915   0.109  -2.677  -3.933
  536TIP3   OH2 7916  -0.011  -4.035  -4.057
  536TIP3    H1 7917  -0.008  -3.953  -4.003
  536TIP3    H2 7918   0.075  -4.074  -4.030
  537TIP3   OH2 7919   1.041  -3.963  -2.819
  537TIP3    H1 7920   0.944  -3.952  -2.826
  537TIP3    H2 7921   1.059  -3.990  -2.910
  538TIP3   OH2 7922   0.882  -3.574  -3.410
  538TIP3    H1 7923   0.798  -3.619  -3.434
  538TIP3    H2 7924   0.930  -3.646  -3.362
  539TIP3   OH2 7925  -0.166  -2.955  -4.178
  539TIP3    H1 7926  -0.097  -2.915  -4.123
  539TIP3    H2 7927  -0.112  -3.020  -4.227
  540TIP3   OH2 7928  -0.336  -3.733  -4.271
  540TIP3    H1 7929  -0.327  -3.644  -4.232
  540TIP3    H2 7930  -0.431  -3.744  -4.282
  541TIP3   OH2 7931   0.984  -2.690  -3.272
  541TIP3    H1 7932   0.967  -2.606  -3.319
  541TIP3    H2 7933   1.076  -2.677  -3.244
  542TIP3   OH2 7934  -0.338  -4.243  -3.357
  542TIP3    H1 7935  -0.294  -4.242  -3.443
  542TIP3    H2 7936  -0.314  -4.333  -3.328
  543TIP3   OH2 7937  -0.368  -2.888  -3.746
  543TIP3    H1 7938  -0.446  -2.836  -3.724
  543TIP3    H2 7939  -0.328  -2.835  -3.816
  544TIP3   OH2 7940  -0.425  -2.599  -2.629
  544TIP3    H1 7941  -0.368  -2.626  -2.555
  544TIP3    H2 7942  -0.464  -2.684  -2.656
  545TIP3   OH2 7943   0.036  -2.695  -2.449
  545TIP3    H1 7944   0.112  -2.752  -2.428
  545TIP3    H2 7945   0.021  -2.719  -2.542
  546TIP3   OH2 7946   0.468  -2.757  -4.330
  546TIP3    H1 7947   0.387  -2.811  -4.326
  546TIP3    H2 7948   0.532  -2.826  -4.356
  547TIP3   OH2 7949   0.691  -2.865  -2.592
  547TIP3    H1 7950   0.654  -2.947  -2.554
  547TIP3    H2 7951   0.761  -2.842  -2.528
  548TIP3   OH2 7952   0.867  -2.822   4.283
  548TIP3    H1 7953   0.856  -2.868   4.368
  548TIP3    H2 7954   0.958  -2.791   4.285
  549TIP3   OH2 7955  -0.429  -3.236  -2.515
  549TIP3    H1 7956  -0.420  -3.326  -2.549
  549TIP3    H2 7957  -0.506  -3.205  -2.566
  550TIP3   OH2 7958  -0.047  -3.187  -4.311
  550TIP3    H1 7959  -0.001  -3.244  -4.247
  550TIP3    H2 7960   0.022  -3.175  -4.380
  551TIP3   OH2 7961   0.228  -3.217  -2.581
  551TIP3    H1 7962   0.204  -3.184  -2.669
  551TIP3    H2 7963   0.240  -3.312  -2.596
  552TIP3   OH2 7964   0.527  -3.075  -4.347
  552TIP3    H1 7965   0.542  -3.065  -4.251
  552TIP3    H2 7966   0.590  -3.145  -4.371
  553TIP3   OH2 7967   0.769  -3.253  -2.844
  553TIP3    H1 7968   0.849  -3.201  -2.862
  553TIP3    H2 7969   0.701  -3.184  -2.846
  554TIP3   OH2 7970  -0.343  -3.521  -2.601
  554TIP3    H1 7971  -0.269  -3.585  -2.601
  554TIP3    H2 7972  -0.350  -3.503  -2.506
  555TIP3   OH2 7973   0.098  -3.386  -4.084
  555TIP3    H1 7974   0.047  -3.439  -4.022
  555TIP3    H2 7975   0.133  -3.454  -4.144
  556TIP3   OH2 7976   0.017  -3.611  -2.861
  556TIP3    H1 7977  -0.027  -3.529  -2.833
  556TIP3    H2 7978   0.088  -3.577  -2.919
  557TIP3   OH2 7979   0.215  -3.566  -4.281
  557TIP3    H1 7980   0.225  -3.597  -4.373
  557TIP3    H2 7981   0.309  -3.572  -4.252
  558TIP3   OH2 7982   0.551  -3.338  -2.502
  558TIP3    H1 7983   0.642  -3.356  -2.530
  558TIP3    H2 7984   0.527  -3.421  -2.458
  559TIP3   OH2 7985   0.079  -3.880  -2.745
  559TIP3    H1 7986   0.089  -3.946  -2.816
  559TIP3    H2 7987   0.061  -3.799  -2.796
  560TIP3   OH2 7988   0.119  -4.036  -3.003
  560TIP3    H1 7989   0.172  -3.983  -3.065
  560TIP3    H2 7990   0.028  -4.025  -3.039
  561TIP3   OH2 7991   0.265  -3.489  -2.956
  561TIP3    H1 7992   0.351  -3.499  -3.001
  561TIP3    H2 7993   0.239  -3.400  -2.986
  562TIP3   OH2 7994   0.726  -3.694  -2.480
  562TIP3    H1 7995   0.747  -3.787  -2.461
  562TIP3    H2 7996   0.815  -3.655  -2.481
  563TIP3   OH2 7997   0.824  -3.415  -2.630
  563TIP3    H1 7998   0.790  -3.354  -2.698
  563TIP3    H2 7999   0.914  -3.431  -2.666
  564TIP3   OH2 8000  -0.099  -3.695  -2.564
  564TIP3    H1 8001  -0.150  -3.778  -2.562
  564TIP3    H2 8002  -0.017  -3.724  -2.607
  565TIP3   OH2 8003   0.173  -4.276  -2.872
  565TIP3    H1 8004   0.175  -4.188  -2.914
  565TIP3    H2 8005   0.096  -4.315  -2.917
  566TIP3   OH2 8006   0.314  -3.843  -2.585
  566TIP3    H1 8007   0.284  -3.871  -2.497
  566TIP3    H2 8008   0.234  -3.864  -2.637
  567TIP3   OH2 8009   0.575  -3.944  -2.686
  567TIP3    H1 8010   0.485  -3.931  -2.650
  567TIP3    H2 8011   0.611  -4.010  -2.624
  568TIP3   OH2 8012   0.747  -4.136  -2.517
  568TIP3    H1 8013   0.729  -4.223  -2.479
  568TIP3    H2 8014   0.731  -4.076  -2.442
  569TIP3   OH2 8015  -0.220  -3.958  -2.575
  569TIP3    H1 8016  -0.244  -4.020  -2.646
  569TIP3    H2 8017  -0.263  -3.999  -2.498
  570TIP3   OH2 8018   0.276  -4.146  -2.476
  570TIP3    H1 8019   0.255  -4.229  -2.522
  570TIP3    H2 8020   0.190  -4.100  -2.471
  571TIP3   OH2 8021   0.177  -2.463  -4.174
  571TIP3    H1 8022   0.273  -2.448  -4.161
  571TIP3    H2 8023   0.154  -2.397  -4.241
  572TIP3   OH2 8024  -0.434  -3.062  -4.185
  572TIP3    H1 8025  -0.351  -3.013  -4.198
  572TIP3    H2 8026  -0.467  -3.079  -4.275
  573TIP3   OH2 8027  -0.534  -2.503  -3.721
  573TIP3    H1 8028  -0.607  -2.537  -3.776
  573TIP3    H2 8029  -0.530  -2.569  -3.650
  574TIP3   OH2 8030  -0.497  -2.699  -3.520
  574TIP3    H1 8031  -0.529  -2.785  -3.488
  574TIP3    H2 8032  -0.464  -2.663  -3.437
  575TIP3   OH2 8033   1.257  -2.578  -3.221
  575TIP3    H1 8034   1.267  -2.569  -3.125
  575TIP3    H2 8035   1.340  -2.539  -3.251
  576TIP3   OH2 8036   1.243  -2.627  -2.931
  576TIP3    H1 8037   1.194  -2.703  -2.967
  576TIP3    H2 8038   1.301  -2.671  -2.867
  577TIP3   OH2 8039   1.045  -3.085  -2.503
  577TIP3    H1 8040   0.957  -3.077  -2.463
  577TIP3    H2 8041   1.090  -3.005  -2.471
  578TIP3   OH2 8042   1.185  -3.202  -3.930
  578TIP3    H1 8043   1.275  -3.166  -3.916
  578TIP3    H2 8044   1.180  -3.265  -3.856
  579TIP3   OH2 8045   1.231  -3.402  -3.732
  579TIP3    H1 8046   1.163  -3.456  -3.687
  579TIP3    H2 8047   1.298  -3.388  -3.663
  580TIP3   OH2 8048   1.203  -3.149  -3.234
  580TIP3    H1 8049   1.266  -3.197  -3.289
  580TIP3    H2 8050   1.217  -3.057  -3.264
  581TIP3   OH2 8051   1.075  -2.858  -3.010
  581TIP3    H1 8052   1.003  -2.817  -2.959
  581TIP3    H2 8053   1.028  -2.894  -3.087
  582TIP3   OH2 8054   1.258  -3.434  -4.109
  582TIP3    H1 8055   1.196  -3.403  -4.176
  582TIP3    H2 8056   1.241  -3.368  -4.039
  583TIP3   OH2 8057   1.077  -3.696  -4.219
  583TIP3    H1 8058   1.110  -3.621  -4.270
  583TIP3    H2 8059   1.123  -3.770  -4.261
  584TIP3   OH2 8060   1.025  -3.585  -3.650
  584TIP3    H1 8061   1.016  -3.680  -3.667
  584TIP3    H2 8062   0.986  -3.576  -3.560
  585TIP3   OH2 8063  -0.471  -3.363  -3.322
  585TIP3    H1 8064  -0.456  -3.426  -3.393
  585TIP3    H2 8065  -0.401  -3.388  -3.259
  586TIP3   OH2 8066   1.085  -3.393  -2.736
  586TIP3    H1 8067   1.159  -3.455  -2.718
  586TIP3    H2 8068   1.132  -3.310  -2.754
  587TIP3   OH2 8069   1.241  -3.583  -2.616
  587TIP3    H1 8070   1.161  -3.636  -2.638
  587TIP3    H2 8071   1.310  -3.652  -2.616
  588TIP3   OH2 8072   1.005  -4.028  -4.340
  588TIP3    H1 8073   1.062  -4.043  -4.264
  588TIP3    H2 8074   0.915  -4.045  -4.307
  589TIP3   OH2 8075   1.002  -3.826  -3.837
  589TIP3    H1 8076   1.021  -3.922  -3.828
  589TIP3    H2 8077   1.087  -3.794  -3.871
  590TIP3   OH2 8078   1.034  -3.773  -3.292
  590TIP3    H1 8079   1.132  -3.768  -3.292
  590TIP3    H2 8080   1.018  -3.777  -3.196
  591TIP3   OH2 8081   1.049  -3.707  -3.006
  591TIP3    H1 8082   0.964  -3.665  -2.980
  591TIP3    H2 8083   1.103  -3.628  -3.028
  592TIP3   OH2 8084  -0.505  -3.835  -2.626
  592TIP3    H1 8085  -0.413  -3.859  -2.644
  592TIP3    H2 8086  -0.549  -3.921  -2.630
  593TIP3   OH2 8087   1.262  -4.281  -2.430
  593TIP3    H1 8088   1.316  -4.357  -2.454
  593TIP3    H2 8089   1.265  -4.220  -2.507
  594TIP3   OH2 8090   1.037  -4.097  -3.824
  594TIP3    H1 8091   1.056  -4.148  -3.744
  594TIP3    H2 8092   0.976  -4.158  -3.869
  595TIP3   OH2 8093  -0.427  -3.989  -3.357
  595TIP3    H1 8094  -0.400  -4.083  -3.347
  595TIP3    H2 8095  -0.343  -3.945  -3.333
  596TIP3   OH2 8096  -0.567  -3.726  -3.259
  596TIP3    H1 8097  -0.508  -3.737  -3.335
  596TIP3    H2 8098  -0.527  -3.653  -3.211
  597TIP3   OH2 8099   1.244  -4.113  -2.644
  597TIP3    H1 8100   1.159  -4.065  -2.635
  597TIP3    H2 8101   1.233  -4.147  -2.735
  598TIP3   OH2 8102   1.257  -4.072  -4.174
  598TIP3    H1 8103   1.281  -4.147  -4.230
  598TIP3    H2 8104   1.338  -4.020  -4.171
  599TIP3   OH2 8105  -0.516  -4.097  -3.850
  599TIP3    H1 8106  -0.610  -4.095  -3.873
  599TIP3    H2 8107  -0.476  -4.034  -3.912
  600TIP3   OH2 8108   0.942  -2.571  -3.642
  600TIP3    H1 8109   0.993  -2.597  -3.720
  600TIP3    H2 8110   1.010  -2.531  -3.586
  601TIP3   OH2 8111  -0.541  -4.125  -3.000
  601TIP3    H1 8112  -0.540  -4.218  -2.971
  601TIP3    H2 8113  -0.554  -4.137  -3.095
  602TIP3   OH2 8114  -0.316  -2.901  -2.565
  602TIP3    H1 8115  -0.387  -2.899  -2.631
  602TIP3    H2 8116  -0.364  -2.895  -2.482
  603TIP3   OH2 8117  -0.031  -2.800  -3.001
  603TIP3    H1 8118  -0.062  -2.714  -3.034
  603TIP3    H2 8119   0.065  -2.789  -3.017
  604TIP3   OH2 8120   0.419  -2.668  -2.698
  604TIP3    H1 8121   0.435  -2.685  -2.604
  604TIP3    H2 8122   0.502  -2.623  -2.724
  605TIP3   OH2 8123   0.647  -2.523  -2.775
  605TIP3    H1 8124   0.717  -2.586  -2.797
  605TIP3    H2 8125   0.678  -2.490  -2.688
  606TIP3   OH2 8126   1.108  -4.276  -2.854
  606TIP3    H1 8127   1.056  -4.215  -2.909
  606TIP3    H2 8128   1.126  -4.345  -2.920
  607TIP3   OH2 8129  -0.296  -2.505  -2.966
  607TIP3    H1 8130  -0.354  -2.440  -3.010
  607TIP3    H2 8131  -0.327  -2.497  -2.875
  608TIP3   OH2 8132  -0.046  -2.526  -3.112
  608TIP3    H1 8133  -0.130  -2.505  -3.068
  608TIP3    H2 8134  -0.040  -2.456  -3.180
  609TIP3   OH2 8135   0.428  -2.526  -3.155
  609TIP3    H1 8136   0.394  -2.479  -3.233
  609TIP3    H2 8137   0.439  -2.452  -3.092
  610TIP3   OH2 8138   0.664  -2.654  -3.064
  610TIP3    H1 8139   0.580  -2.617  -3.096
  610TIP3    H2 8140   0.721  -2.576  -3.064
  611TIP3   OH2 8141   0.915  -2.482  -3.043
  611TIP3    H1 8142   0.914  -2.386  -3.062
  611TIP3    H2 8143   0.946  -2.516  -3.129
  612TIP3   OH2 8144  -0.337  -2.624  -3.273
  612TIP3    H1 8145  -0.338  -2.671  -3.186
  612TIP3    H2 8146  -0.259  -2.666  -3.315
  613TIP3   OH2 8147  -0.135  -2.752  -3.425
  613TIP3    H1 8148  -0.147  -2.847  -3.401
  613TIP3    H2 8149  -0.043  -2.735  -3.394
  614TIP3   OH2 8150   0.139  -2.702  -3.339
  614TIP3    H1 8151   0.162  -2.794  -3.361
  614TIP3    H2 8152   0.149  -2.703  -3.243
  615TIP3   OH2 8153   0.476  -4.115  -3.412
  615TIP3    H1 8154   0.416  -4.183  -3.378
  615TIP3    H2 8155   0.530  -4.166  -3.474
  616TIP3   OH2 8156   0.994  -4.326  -3.360
  616TIP3    H1 8157   1.054  -4.291  -3.428
  616TIP3    H2 8158   0.907  -4.317  -3.402
  617TIP3   OH2 8159   1.205  -4.228  -3.579
  617TIP3    H1 8160   1.246  -4.245  -3.665
  617TIP3    H2 8161   1.211  -4.132  -3.570
  618TIP3   OH2 8162  -0.296  -4.281  -3.683
  618TIP3    H1 8163  -0.386  -4.312  -3.699
  618TIP3    H2 8164  -0.253  -4.359  -3.647
  619TIP3   OH2 8165  -0.434  -4.282  -4.067
  619TIP3    H1 8166  -0.382  -4.232  -4.133
  619TIP3    H2 8167  -0.467  -4.211  -4.010
  620TIP3   OH2 8168   0.171  -4.275  -3.674
  620TIP3    H1 8169   0.259  -4.234  -3.672
  620TIP3    H2 8170   0.150  -4.285  -3.581
  621TIP3   OH2 8171   0.730  -4.272  -3.517
  621TIP3    H1 8172   0.722  -4.270  -3.613
  621TIP3    H2 8173   0.686  -4.359  -3.498
  622TIP3   OH2 8174   0.826  -4.274  -3.932
  622TIP3    H1 8175   0.748  -4.216  -3.946
  622TIP3    H2 8176   0.785  -4.356  -3.900
  623TIP3   OH2 8177  -0.401  -2.697  -3.966
  623TIP3    H1 8178  -0.475  -2.697  -4.030
  623TIP3    H2 8179  -0.402  -2.604  -3.940
  624TIP3   OH2 8180  -0.238  -4.120  -4.222
  624TIP3    H1 8181  -0.175  -4.163  -4.281
  624TIP3    H2 8182  -0.178  -4.063  -4.170
  625TIP3   OH2 8183   0.275  -4.058  -3.984
  625TIP3    H1 8184   0.294  -4.144  -3.942
  625TIP3    H2 8185   0.300  -3.994  -3.914
  626TIP3   OH2 8186   0.460  -2.530  -4.146
  626TIP3    H1 8187   0.557  -2.515  -4.137
  626TIP3    H2 8188   0.460  -2.591  -4.222
  627TIP3   OH2 8189   1.138  -2.613  -3.884
  627TIP3    H1 8190   1.108  -2.696  -3.927
  627TIP3    H2 8191   1.115  -2.546  -3.951
  628TIP3   OH2 8192  -0.330  -4.177  -2.732
  628TIP3    H1 8193  -0.376  -4.256  -2.700
  628TIP3    H2 8194  -0.242  -4.216  -2.745
  629TIP3   OH2 8195  -0.038  -4.278  -2.467
  629TIP3    H1 8196   0.049  -4.304  -2.506
  629TIP3    H2 8197  -0.063  -4.358  -2.420
  630TIP3   OH2 8198  -0.207  -2.589  -4.231
  630TIP3    H1 8199  -0.245  -2.561  -4.147
  630TIP3    H2 8200  -0.136  -2.648  -4.205
  631TIP3   OH2 8201   1.077  -2.734  -2.641
  631TIP3    H1 8202   1.003  -2.752  -2.701
  631TIP3    H2 8203   1.061  -2.640  -2.621
  632TIP3   OH2 8204   2.497  -3.368  -3.628
  632TIP3    H1 8205   2.497  -3.272  -3.614
  632TIP3    H2 8206   2.418  -3.379  -3.683
  633TIP3   OH2 8207   2.382  -3.422  -3.321
  633TIP3    H1 8208   2.381  -3.477  -3.240
  633TIP3    H2 8209   2.353  -3.486  -3.388
  634TIP3   OH2 8210   1.631  -3.464  -3.154
  634TIP3    H1 8211   1.628  -3.539  -3.091
  634TIP3    H2 8212   1.699  -3.409  -3.113
  635TIP3   OH2 8213   2.748  -3.149  -3.488
  635TIP3    H1 8214   2.713  -3.219  -3.432
  635TIP3    H2 8215   2.782  -3.087  -3.422
  636TIP3   OH2 8216   1.696  -2.998  -3.306
  636TIP3    H1 8217   1.671  -3.091  -3.329
  636TIP3    H2 8218   1.788  -3.013  -3.279
  637TIP3   OH2 8219   1.397  -3.659  -3.765
  637TIP3    H1 8220   1.354  -3.573  -3.751
  637TIP3    H2 8221   1.324  -3.711  -3.802
  638TIP3   OH2 8222   1.476  -3.414  -3.579
  638TIP3    H1 8223   1.490  -3.497  -3.529
  638TIP3    H2 8224   1.560  -3.405  -3.625
  639TIP3   OH2 8225   2.456  -2.612  -3.432
  639TIP3    H1 8226   2.514  -2.684  -3.464
  639TIP3    H2 8227   2.428  -2.646  -3.346
  640TIP3   OH2 8228   2.231  -3.171  -3.265
  640TIP3    H1 8229   2.264  -3.244  -3.320
  640TIP3    H2 8230   2.311  -3.155  -3.212
  641TIP3   OH2 8231   3.086  -4.017  -3.207
  641TIP3    H1 8232   3.119  -3.972  -3.128
  641TIP3    H2 8233   3.151  -3.987  -3.273
  642TIP3   OH2 8234   2.559  -3.740  -3.211
  642TIP3    H1 8235   2.579  -3.836  -3.210
  642TIP3    H2 8236   2.550  -3.724  -3.307
  643TIP3   OH2 8237   1.856  -3.941  -3.503
  643TIP3    H1 8238   1.871  -3.856  -3.548
  643TIP3    H2 8239   1.821  -3.994  -3.577
  644TIP3   OH2 8240   2.644  -3.924  -3.672
  644TIP3    H1 8241   2.703  -3.967  -3.607
  644TIP3    H2 8242   2.708  -3.878  -3.728
  645TIP3   OH2 8243   1.528  -3.661  -3.455
  645TIP3    H1 8244   1.586  -3.711  -3.396
  645TIP3    H2 8245   1.533  -3.713  -3.537
  646TIP3   OH2 8246   2.066  -3.525  -3.510
  646TIP3    H1 8247   2.135  -3.580  -3.469
  646TIP3    H2 8248   2.014  -3.592  -3.558
  647TIP3   OH2 8249   3.180  -3.848  -2.941
  647TIP3    H1 8250   3.105  -3.796  -2.976
  647TIP3    H2 8251   3.141  -3.889  -2.864
  648TIP3   OH2 8252   1.737  -4.056  -3.087
  648TIP3    H1 8253   1.702  -4.001  -3.159
  648TIP3    H2 8254   1.670  -4.037  -3.018
  649TIP3   OH2 8255   2.486  -3.083  -3.750
  649TIP3    H1 8256   2.452  -3.104  -3.838
  649TIP3    H2 8257   2.443  -2.998  -3.731
  650TIP3   OH2 8258   2.031  -3.270  -3.077
  650TIP3    H1 8259   1.957  -3.211  -3.050
  650TIP3    H2 8260   2.092  -3.207  -3.119
  651TIP3   OH2 8261   2.833  -4.013  -3.467
  651TIP3    H1 8262   2.785  -4.060  -3.398
  651TIP3    H2 8263   2.885  -3.950  -3.415
  652TIP3   OH2 8264   1.698  -3.855  -3.293
  652TIP3    H1 8265   1.760  -3.795  -3.249
  652TIP3    H2 8266   1.755  -3.890  -3.365
  653TIP3   OH2 8267   1.829  -3.083  -3.006
  653TIP3    H1 8268   1.826  -2.990  -3.033
  653TIP3    H2 8269   1.743  -3.089  -2.960
  654TIP3   OH2 8270   1.462  -3.112  -3.919
  654TIP3    H1 8271   1.440  -3.069  -4.003
  654TIP3    H2 8272   1.476  -3.038  -3.857
  655TIP3   OH2 8273   2.805  -2.967  -3.239
  655TIP3    H1 8274   2.709  -2.953  -3.237
  655TIP3    H2 8275   2.836  -2.882  -3.275
  656TIP3   OH2 8276   2.849  -4.110  -3.066
  656TIP3    H1 8277   2.768  -4.078  -3.109
  656TIP3    H2 8278   2.915  -4.097  -3.136
  657TIP3   OH2 8279   2.159   4.381  -3.365
  657TIP3    H1 8280   2.154   4.286  -3.353
  657TIP3    H2 8281   2.072   4.413  -3.332
  658TIP3   OH2 8282   2.636  -2.772  -3.584
  658TIP3    H1 8283   2.684  -2.852  -3.614
  658TIP3    H2 8284   2.706  -2.705  -3.592
  659TIP3   OH2 8285   2.779  -2.985  -3.719
  659TIP3    H1 8286   2.730  -3.033  -3.787
  659TIP3    H2 8287   2.777  -3.050  -3.646
  660TIP3   OH2 8288   2.934  -3.105  -2.871
  660TIP3    H1 8289   2.925  -3.170  -2.943
  660TIP3    H2 8290   2.949  -3.022  -2.920
  661TIP3   OH2 8291   2.364  -3.420  -3.907
  661TIP3    H1 8292   2.298  -3.355  -3.938
  661TIP3    H2 8293   2.437  -3.405  -3.968
  662TIP3   OH2 8294   2.385  -3.590  -4.213
  662TIP3    H1 8295   2.448  -3.562  -4.145
  662TIP3    H2 8296   2.441  -3.652  -4.265
  663TIP3   OH2 8297   3.110  -3.489  -3.077
  663TIP3    H1 8298   3.039  -3.422  -3.069
  663TIP3    H2 8299   3.160  -3.454  -3.154
  664TIP3   OH2 8300   2.711  -3.417  -3.795
  664TIP3    H1 8301   2.644  -3.395  -3.727
  664TIP3    H2 8302   2.774  -3.470  -3.742
  665TIP3   OH2 8303   2.697  -3.562  -2.910
  665TIP3    H1 8304   2.703  -3.481  -2.857
  665TIP3    H2 8305   2.632  -3.532  -2.976
  666TIP3   OH2 8306   1.873  -3.337  -3.617
  666TIP3    H1 8307   1.842  -3.381  -3.698
  666TIP3    H2 8308   1.937  -3.402  -3.582
  667TIP3   OH2 8309   2.010  -2.995  -3.343
  667TIP3    H1 8310   1.998  -3.038  -3.429
  667TIP3    H2 8311   2.088  -3.042  -3.309
  668TIP3   OH2 8312   1.933  -3.458  -3.267
  668TIP3    H1 8313   1.990  -3.452  -3.345
  668TIP3    H2 8314   1.970  -3.389  -3.208
  669TIP3   OH2 8315   2.523  -2.902  -3.208
  669TIP3    H1 8316   2.530  -2.838  -3.135
  669TIP3    H2 8317   2.503  -2.986  -3.163
  670TIP3   OH2 8318   2.015  -3.025  -2.784
  670TIP3    H1 8319   1.964  -2.958  -2.734
  670TIP3    H2 8320   1.950  -3.050  -2.852
  671TIP3   OH2 8321   2.622  -3.469  -4.057
  671TIP3    H1 8322   2.661  -3.443  -3.971
  671TIP3    H2 8323   2.684  -3.425  -4.119
  672TIP3   OH2 8324   1.709  -3.385  -2.872
  672TIP3    H1 8325   1.714  -3.327  -2.793
  672TIP3    H2 8326   1.612  -3.398  -2.879
  673TIP3   OH2 8327   2.351  -2.810  -3.694
  673TIP3    H1 8328   2.404  -2.784  -3.618
  673TIP3    H2 8329   2.305  -2.728  -3.718
  674TIP3   OH2 8330   1.826  -2.809  -2.702
  674TIP3    H1 8331   1.812  -2.804  -2.798
  674TIP3    H2 8332   1.737  -2.833  -2.668
  675TIP3   OH2 8333   2.940  -4.335  -4.128
  675TIP3    H1 8334   2.892  -4.332  -4.043
  675TIP3    H2 8335   3.006  -4.266  -4.112
  676TIP3   OH2 8336   1.767  -3.464  -3.865
  676TIP3    H1 8337   1.741  -3.387  -3.919
  676TIP3    H2 8338   1.697  -3.527  -3.885
  677TIP3   OH2 8339   3.069  -2.882  -4.246
  677TIP3    H1 8340   3.095  -2.794  -4.217
  677TIP3    H2 8341   3.151  -2.933  -4.237
  678TIP3   OH2 8342   1.371  -3.196  -2.990
  678TIP3    H1 8343   1.326  -3.197  -3.077
  678TIP3    H2 8344   1.383  -3.291  -2.972
  679TIP3   OH2 8345   1.376  -2.902  -3.298
  679TIP3    H1 8346   1.468  -2.932  -3.290
  679TIP3    H2 8347   1.369  -2.842  -3.222
  680TIP3   OH2 8348   3.215  -2.840  -2.719
  680TIP3    H1 8349   3.206  -2.934  -2.741
  680TIP3    H2 8350   3.123  -2.819  -2.690
  681TIP3   OH2 8351   2.279  -2.920  -2.840
  681TIP3    H1 8352   2.287  -2.838  -2.787
  681TIP3    H2 8353   2.189  -2.950  -2.816
  682TIP3   OH2 8354   2.309  -2.539  -3.846
  682TIP3    H1 8355   2.308  -2.528  -3.943
  682TIP3    H2 8356   2.316  -2.448  -3.814
  683TIP3   OH2 8357   1.687  -2.625  -3.680
  683TIP3    H1 8358   1.705  -2.669  -3.594
  683TIP3    H2 8359   1.603  -2.666  -3.703
  684TIP3   OH2 8360   2.619  -2.567  -4.107
  684TIP3    H1 8361   2.673  -2.608  -4.175
  684TIP3    H2 8362   2.627  -2.628  -4.031
  685TIP3   OH2 8363   2.581  -2.665  -3.853
  685TIP3    H1 8364   2.489  -2.642  -3.831
  685TIP3    H2 8365   2.602  -2.726  -3.781
  686TIP3   OH2 8366   2.894  -3.709  -2.679
  686TIP3    H1 8367   2.842  -3.668  -2.750
  686TIP3    H2 8368   2.900  -3.801  -2.711
  687TIP3   OH2 8369   1.590  -3.042  -2.867
  687TIP3    H1 8370   1.617  -3.087  -2.784
  687TIP3    H2 8371   1.516  -3.096  -2.898
  688TIP3   OH2 8372   1.912  -4.219  -3.274
  688TIP3    H1 8373   1.830  -4.246  -3.318
  688TIP3    H2 8374   1.883  -4.137  -3.231
  689TIP3   OH2 8375   2.367  -4.262  -2.916
  689TIP3    H1 8376   2.384  -4.310  -2.834
  689TIP3    H2 8377   2.272  -4.277  -2.927
  690TIP3   OH2 8378   2.665  -3.863  -2.873
  690TIP3    H1 8379   2.604  -3.874  -2.797
  690TIP3    H2 8380   2.658  -3.768  -2.892
  691TIP3   OH2 8381   2.836  -3.385  -4.252
  691TIP3    H1 8382   2.800  -3.396  -4.341
  691TIP3    H2 8383   2.876  -3.297  -4.261
  692TIP3   OH2 8384   2.328  -3.998  -4.214
  692TIP3    H1 8385   2.273  -3.995  -4.133
  692TIP3    H2 8386   2.278  -4.063  -4.264
  693TIP3   OH2 8387   1.895  -3.716  -3.147
  693TIP3    H1 8388   1.836  -3.704  -3.072
  693TIP3    H2 8389   1.902  -3.624  -3.183
  694TIP3   OH2 8390   1.889  -3.708  -3.659
  694TIP3    H1 8391   1.793  -3.719  -3.674
  694TIP3    H2 8392   1.923  -3.727  -3.749
  695TIP3   OH2 8393   2.456  -3.655  -3.786
  695TIP3    H1 8394   2.416  -3.570  -3.817
  695TIP3    H2 8395   2.522  -3.671  -3.857
  696TIP3   OH2 8396   2.370  -3.633  -2.650
  696TIP3    H1 8397   2.318  -3.705  -2.611
  696TIP3    H2 8398   2.456  -3.643  -2.605
  697TIP3   OH2 8399   2.536  -3.712  -3.505
  697TIP3    H1 8400   2.508  -3.653  -3.578
  697TIP3    H2 8401   2.556  -3.793  -3.556
  698TIP3   OH2 8402   1.633  -3.697  -2.966
  698TIP3    H1 8403   1.656  -3.668  -2.877
  698TIP3    H2 8404   1.592  -3.784  -2.947
  699TIP3   OH2 8405   2.005  -3.958  -4.315
  699TIP3    H1 8406   1.973  -3.985  -4.227
  699TIP3    H2 8407   1.928  -3.906  -4.347
  700TIP3   OH2 8408   1.316  -3.946  -3.605
  700TIP3    H1 8409   1.368  -3.957  -3.523
  700TIP3    H2 8410   1.365  -3.997  -3.670
  701TIP3   OH2 8411   1.469  -3.911  -4.039
  701TIP3    H1 8412   1.526  -3.860  -4.100
  701TIP3    H2 8413   1.402  -3.844  -4.015
  702TIP3   OH2 8414   2.445  -3.543  -3.059
  702TIP3    H1 8415   2.489  -3.616  -3.108
  702TIP3    H2 8416   2.412  -3.589  -2.981
  703TIP3   OH2 8417   2.166  -3.944  -3.561
  703TIP3    H1 8418   2.072  -3.957  -3.539
  703TIP3    H2 8419   2.210  -3.971  -3.479
  704TIP3   OH2 8420   1.627  -3.826  -3.693
  704TIP3    H1 8421   1.542  -3.801  -3.732
  704TIP3    H2 8422   1.650  -3.909  -3.738
  705TIP3   OH2 8423   1.984  -3.788  -3.923
  705TIP3    H1 8424   2.080  -3.782  -3.917
  705TIP3    H2 8425   1.960  -3.728  -3.995
  706TIP3   OH2 8426   2.601  -4.033  -3.256
  706TIP3    H1 8427   2.538  -4.035  -3.181
  706TIP3    H2 8428   2.542  -4.064  -3.327
  707TIP3   OH2 8429   1.843  -3.673  -4.158
  707TIP3    H1 8430   1.780  -3.721  -4.213
  707TIP3    H2 8431   1.917  -3.657  -4.218
  708TIP3   OH2 8432   2.902  -2.448  -2.587
  708TIP3    H1 8433   2.935  -2.422  -2.675
  708TIP3    H2 8434   2.978  -2.429  -2.529
  709TIP3   OH2 8435   1.697  -3.195  -2.647
  709TIP3    H1 8436   1.764  -3.186  -2.576
  709TIP3    H2 8437   1.616  -3.197  -2.592
  710TIP3   OH2 8438   2.268  -3.694  -3.375
  710TIP3    H1 8439   2.341  -3.738  -3.421
  710TIP3    H2 8440   2.251  -3.755  -3.301
  711TIP3   OH2 8441   1.783  -4.067  -3.758
  711TIP3    H1 8442   1.735  -4.151  -3.744
  711TIP3    H2 8443   1.870  -4.098  -3.786
  712TIP3   OH2 8444   2.165  -3.848  -3.149
  712TIP3    H1 8445   2.088  -3.788  -3.149
  712TIP3    H2 8446   2.214  -3.821  -3.068
  713TIP3   OH2 8447   2.182  -3.212  -3.960
  713TIP3    H1 8448   2.104  -3.260  -3.994
  713TIP3    H2 8449   2.161  -3.204  -3.864
  714TIP3   OH2 8450   2.902  -3.294  -3.087
  714TIP3    H1 8451   2.952  -3.239  -3.151
  714TIP3    H2 8452   2.816  -3.304  -3.133
  715TIP3   OH2 8453   2.595  -3.924  -4.197
  715TIP3    H1 8454   2.498  -3.936  -4.186
  715TIP3    H2 8455   2.618  -3.859  -4.128
  716TIP3   OH2 8456   2.344  -3.208  -2.828
  716TIP3    H1 8457   2.314  -3.241  -2.742
  716TIP3    H2 8458   2.312  -3.116  -2.828
  717TIP3   OH2 8459   2.657  -3.751  -3.991
  717TIP3    H1 8460   2.742  -3.766  -3.944
  717TIP3    H2 8461   2.670  -3.661  -4.028
  718TIP3   OH2 8462   1.694  -3.270  -3.378
  718TIP3    H1 8463   1.749  -3.282  -3.457
  718TIP3    H2 8464   1.702  -3.356  -3.334
  719TIP3   OH2 8465   2.424  -3.075  -4.070
  719TIP3    H1 8466   2.396  -2.987  -4.038
  719TIP3    H2 8467   2.347  -3.129  -4.042
  720TIP3   OH2 8468   1.419  -3.444  -2.852
  720TIP3    H1 8469   1.434  -3.487  -2.766
  720TIP3    H2 8470   1.358  -3.505  -2.897
  721TIP3   OH2 8471   2.116  -3.493  -2.653
  721TIP3    H1 8472   2.080  -3.518  -2.740
  721TIP3    H2 8473   2.209  -3.519  -2.664
  722TIP3   OH2 8474   2.573  -2.938  -2.882
  722TIP3    H1 8475   2.476  -2.939  -2.888
  722TIP3    H2 8476   2.587  -2.922  -2.787
  723TIP3   OH2 8477   3.128  -3.737  -4.001
  723TIP3    H1 8478   3.062  -3.754  -4.071
  723TIP3    H2 8479   3.140  -3.642  -4.016
  724TIP3   OH2 8480   3.168  -3.142  -2.723
  724TIP3    H1 8481   3.074  -3.119  -2.743
  724TIP3    H2 8482   3.201  -3.158  -2.814
  725TIP3   OH2 8483   2.939  -2.883  -3.994
  725TIP3    H1 8484   2.928  -2.960  -3.937
  725TIP3    H2 8485   2.985  -2.920  -4.071
  726TIP3   OH2 8486   2.667  -3.350  -3.256
  726TIP3    H1 8487   2.574  -3.366  -3.280
  726TIP3    H2 8488   2.711  -3.422  -3.305
  727TIP3   OH2 8489   1.931  -2.943  -3.657
  727TIP3    H1 8490   1.972  -2.856  -3.665
  727TIP3    H2 8491   1.838  -2.923  -3.673
  728TIP3   OH2 8492   1.538  -3.451  -4.199
  728TIP3    H1 8493   1.592  -3.385  -4.152
  728TIP3    H2 8494   1.448  -3.431  -4.168
  729TIP3   OH2 8495   2.113  -3.173  -3.693
  729TIP3    H1 8496   2.083  -3.082  -3.676
  729TIP3    H2 8497   2.044  -3.224  -3.648
  730TIP3   OH2 8498   2.131  -2.747  -3.056
  730TIP3    H1 8499   2.187  -2.672  -3.082
  730TIP3    H2 8500   2.191  -2.796  -2.997
  731TIP3   OH2 8501   1.975  -2.652  -3.735
  731TIP3    H1 8502   1.879  -2.639  -3.724
  731TIP3    H2 8503   2.009  -2.565  -3.708
  732TIP3   OH2 8504   2.471  -3.171  -3.098
  732TIP3    H1 8505   2.442  -3.200  -3.010
  732TIP3    H2 8506   2.545  -3.232  -3.115
  733TIP3   OH2 8507   2.684  -3.043  -4.200
  733TIP3    H1 8508   2.739  -3.075  -4.126
  733TIP3    H2 8509   2.597  -3.053  -4.158
  734TIP3   OH2 8510   2.768  -2.710  -2.864
  734TIP3    H1 8511   2.693  -2.762  -2.899
  734TIP3    H2 8512   2.768  -2.633  -2.921
  735TIP3   OH2 8513   3.174  -2.597  -4.161
  735TIP3    H1 8514   3.248  -2.535  -4.140
  735TIP3    H2 8515   3.097  -2.542  -4.137
  736TIP3   OH2 8516   1.552  -3.961  -2.893
  736TIP3    H1 8517   1.461  -3.943  -2.924
  736TIP3    H2 8518   1.536  -4.047  -2.849
  737TIP3   OH2 8519   2.785  -3.186  -3.970
  737TIP3    H1 8520   2.760  -3.254  -3.905
  737TIP3    H2 8521   2.882  -3.184  -3.961
  738TIP3   OH2 8522   1.528  -2.804  -3.053
  738TIP3    H1 8523   1.557  -2.894  -3.030
  738TIP3    H2 8524   1.544  -2.759  -2.969
  739TIP3   OH2 8525   2.135  -2.940  -4.328
  739TIP3    H1 8526   2.174  -3.025  -4.354
  739TIP3    H2 8527   2.082  -2.967  -4.250
  740TIP3   OH2 8528   1.993  -2.984  -4.076
  740TIP3    H1 8529   2.043  -3.037  -4.012
  740TIP3    H2 8530   2.013  -2.893  -4.049
  741TIP3   OH2 8531   1.679  -3.248  -4.037
  741TIP3    H1 8532   1.603  -3.207  -3.989
  741TIP3    H2 8533   1.725  -3.168  -4.067
  742TIP3   OH2 8534   2.443  -4.009  -3.027
  742TIP3    H1 8535   2.504  -3.981  -2.958
  742TIP3    H2 8536   2.405  -4.091  -2.993
  743TIP3   OH2 8537   2.524  -4.050  -3.923
  743TIP3    H1 8538   2.538  -3.984  -3.992
  743TIP3    H2 8539   2.557  -4.003  -3.845
  744TIP3   OH2 8540   2.287  -2.827  -4.029
  744TIP3    H1 8541   2.210  -2.774  -4.001
  744TIP3    H2 8542   2.340  -2.760  -4.074
  745TIP3   OH2 8543   2.254  -3.850  -3.812
  745TIP3    H1 8544   2.329  -3.789  -3.797
  745TIP3    H2 8545   2.223  -3.866  -3.721
  746TIP3   OH2 8546   2.288  -3.761  -2.901
  746TIP3    H1 8547   2.295  -3.709  -2.818
  746TIP3    H2 8548   2.345  -3.837  -2.881
  747TIP3   OH2 8549   2.330  -4.171  -3.712
  747TIP3    H1 8550   2.295  -4.096  -3.661
  747TIP3    H2 8551   2.381  -4.126  -3.781
  748TIP3   OH2 8552   2.007  -2.707  -4.025
  748TIP3    H1 8553   2.012  -2.621  -4.072
  748TIP3    H2 8554   1.994  -2.679  -3.932
  749TIP3   OH2 8555   1.882  -4.043  -4.076
  749TIP3    H1 8556   1.875  -3.968  -4.016
  749TIP3    H2 8557   1.965  -4.083  -4.044
  750TIP3   OH2 8558   2.926  -3.964  -2.818
  750TIP3    H1 8559   2.829  -3.952  -2.827
  750TIP3    H2 8560   2.946  -3.988  -2.909
  751TIP3   OH2 8561   2.767  -3.574  -3.409
  751TIP3    H1 8562   2.685  -3.620  -3.435
  751TIP3    H2 8563   2.816  -3.645  -3.362
  752TIP3   OH2 8564   1.719  -2.950  -4.157
  752TIP3    H1 8565   1.802  -2.922  -4.113
  752TIP3    H2 8566   1.756  -3.002  -4.230
  753TIP3   OH2 8567   1.547  -3.734  -4.257
  753TIP3    H1 8568   1.558  -3.638  -4.239
  753TIP3    H2 8569   1.455  -3.736  -4.289
  754TIP3   OH2 8570   2.864  -2.678  -3.252
  754TIP3    H1 8571   2.850  -2.603  -3.312
  754TIP3    H2 8572   2.960  -2.673  -3.239
  755TIP3   OH2 8573   1.551  -4.241  -3.353
  755TIP3    H1 8574   1.591  -4.245  -3.440
  755TIP3    H2 8575   1.568  -4.332  -3.323
  756TIP3   OH2 8576   1.519  -2.886  -3.747
  756TIP3    H1 8577   1.440  -2.836  -3.724
  756TIP3    H2 8578   1.556  -2.835  -3.820
  757TIP3   OH2 8579   1.458  -2.596  -2.625
  757TIP3    H1 8580   1.515  -2.624  -2.551
  757TIP3    H2 8581   1.419  -2.681  -2.653
  758TIP3   OH2 8582   1.928  -2.692  -2.451
  758TIP3    H1 8583   1.998  -2.755  -2.428
  758TIP3    H2 8584   1.906  -2.719  -2.542
  759TIP3   OH2 8585   2.353  -2.756  -4.330
  759TIP3    H1 8586   2.273  -2.812  -4.325
  759TIP3    H2 8587   2.419  -2.822  -4.356
  760TIP3   OH2 8588   2.581  -2.867  -2.595
  760TIP3    H1 8589   2.538  -2.945  -2.555
  760TIP3    H2 8590   2.646  -2.843  -2.527
  761TIP3   OH2 8591   2.707  -2.817   4.312
  761TIP3    H1 8592   2.706  -2.891   4.374
  761TIP3    H2 8593   2.796  -2.821   4.276
  762TIP3   OH2 8594   1.456  -3.235  -2.517
  762TIP3    H1 8595   1.464  -3.326  -2.550
  762TIP3    H2 8596   1.378  -3.204  -2.567
  763TIP3   OH2 8597   1.881  -3.180  -4.308
  763TIP3    H1 8598   1.898  -3.245  -4.239
  763TIP3    H2 8599   1.954  -3.194  -4.370
  764TIP3   OH2 8600   2.121  -3.216  -2.583
  764TIP3    H1 8601   2.087  -3.183  -2.668
  764TIP3    H2 8602   2.125  -3.312  -2.598
  765TIP3   OH2 8603   2.410  -3.077  -4.347
  765TIP3    H1 8604   2.425  -3.062  -4.252
  765TIP3    H2 8605   2.476  -3.144  -4.368
  766TIP3   OH2 8606   2.656  -3.254  -2.844
  766TIP3    H1 8607   2.733  -3.199  -2.863
  766TIP3    H2 8608   2.585  -3.188  -2.843
  767TIP3   OH2 8609   1.542  -3.522  -2.600
  767TIP3    H1 8610   1.615  -3.586  -2.597
  767TIP3    H2 8611   1.536  -3.499  -2.506
  768TIP3   OH2 8612   1.984  -3.384  -4.091
  768TIP3    H1 8613   1.922  -3.428  -4.030
  768TIP3    H2 8614   2.018  -3.459  -4.143
  769TIP3   OH2 8615   1.908  -3.609  -2.855
  769TIP3    H1 8616   1.853  -3.531  -2.836
  769TIP3    H2 8617   1.972  -3.572  -2.919
  770TIP3   OH2 8618   2.103  -3.575  -4.273
  770TIP3    H1 8619   2.106  -3.598  -4.367
  770TIP3    H2 8620   2.199  -3.577  -4.251
  771TIP3   OH2 8621   2.437  -3.338  -2.502
  771TIP3    H1 8622   2.528  -3.356  -2.530
  771TIP3    H2 8623   2.413  -3.421  -2.459
  772TIP3   OH2 8624   1.967  -3.878  -2.746
  772TIP3    H1 8625   1.974  -3.944  -2.817
  772TIP3    H2 8626   1.945  -3.797  -2.795
  773TIP3   OH2 8627   2.005  -4.038  -3.003
  773TIP3    H1 8628   2.056  -3.982  -3.064
  773TIP3    H2 8629   1.913  -4.027  -3.037
  774TIP3   OH2 8630   2.155  -3.488  -2.957
  774TIP3    H1 8631   2.239  -3.495  -3.005
  774TIP3    H2 8632   2.123  -3.400  -2.987
  775TIP3   OH2 8633   2.611  -3.693  -2.480
  775TIP3    H1 8634   2.633  -3.786  -2.463
  775TIP3    H2 8635   2.699  -3.652  -2.483
  776TIP3   OH2 8636   2.711  -3.416  -2.631
  776TIP3    H1 8637   2.675  -3.354  -2.698
  776TIP3    H2 8638   2.801  -3.428  -2.667
  777TIP3   OH2 8639   1.789  -3.697  -2.561
  777TIP3    H1 8640   1.736  -3.777  -2.561
  777TIP3    H2 8641   1.869  -3.726  -2.608
  778TIP3   OH2 8642   2.053  -4.278  -2.881
  778TIP3    H1 8643   2.063  -4.187  -2.916
  778TIP3    H2 8644   1.960  -4.293  -2.903
  779TIP3   OH2 8645   2.201  -3.845  -2.586
  779TIP3    H1 8646   2.168  -3.871  -2.498
  779TIP3    H2 8647   2.120  -3.863  -2.638
  780TIP3   OH2 8648   2.458  -3.945  -2.688
  780TIP3    H1 8649   2.369  -3.929  -2.652
  780TIP3    H2 8650   2.493  -4.009  -2.623
  781TIP3   OH2 8651   2.642  -4.139  -2.513
  781TIP3    H1 8652   2.610  -4.224  -2.480
  781TIP3    H2 8653   2.616  -4.077  -2.442
  782TIP3   OH2 8654   1.668  -3.961  -2.575
  782TIP3    H1 8655   1.640  -4.020  -2.646
  782TIP3    H2 8656   1.621  -3.997  -2.498
  783TIP3   OH2 8657   2.163  -4.146  -2.475
  783TIP3    H1 8658   2.139  -4.228  -2.522
  783TIP3    H2 8659   2.078  -4.099  -2.469
  784TIP3   OH2 8660   2.063  -2.458  -4.171
  784TIP3    H1 8661   2.159  -2.448  -4.163
  784TIP3    H2 8662   2.040  -2.398  -4.243
  785TIP3   OH2 8663   1.449  -3.052  -4.194
  785TIP3    H1 8664   1.539  -3.016  -4.199
  785TIP3    H2 8665   1.441  -3.105  -4.275
  786TIP3   OH2 8666   1.351  -2.501  -3.720
  786TIP3    H1 8667   1.279  -2.537  -3.776
  786TIP3    H2 8668   1.356  -2.569  -3.650
  787TIP3   OH2 8669   1.388  -2.698  -3.520
  787TIP3    H1 8670   1.358  -2.785  -3.489
  787TIP3    H2 8671   1.420  -2.662  -3.436
  788TIP3   OH2 8672   3.138  -2.550  -3.204
  788TIP3    H1 8673   3.172  -2.581  -3.119
  788TIP3    H2 8674   3.218  -2.548  -3.258
  789TIP3   OH2 8675   3.128  -2.618  -2.920
  789TIP3    H1 8676   3.079  -2.692  -2.962
  789TIP3    H2 8677   3.186  -2.671  -2.862
  790TIP3   OH2 8678   2.931  -3.085  -2.502
  790TIP3    H1 8679   2.842  -3.076  -2.462
  790TIP3    H2 8680   2.976  -3.005  -2.471
  791TIP3   OH2 8681   3.070  -3.202  -3.931
  791TIP3    H1 8682   3.158  -3.160  -3.919
  791TIP3    H2 8683   3.071  -3.263  -3.855
  792TIP3   OH2 8684   3.116  -3.403  -3.734
  792TIP3    H1 8685   3.051  -3.457  -3.686
  792TIP3    H2 8686   3.185  -3.386  -3.666
  793TIP3   OH2 8687   3.087  -3.149  -3.235
  793TIP3    H1 8688   3.151  -3.197  -3.291
  793TIP3    H2 8689   3.108  -3.057  -3.260
  794TIP3   OH2 8690   2.963  -2.857  -3.009
  794TIP3    H1 8691   2.889  -2.818  -2.960
  794TIP3    H2 8692   2.920  -2.895  -3.087
  795TIP3   OH2 8693   3.142  -3.436  -4.108
  795TIP3    H1 8694   3.084  -3.399  -4.176
  795TIP3    H2 8695   3.128  -3.370  -4.037
  796TIP3   OH2 8696   2.963  -3.697  -4.220
  796TIP3    H1 8697   2.999  -3.621  -4.268
  796TIP3    H2 8698   3.011  -3.770  -4.260
  797TIP3   OH2 8699   2.909  -3.586  -3.650
  797TIP3    H1 8700   2.900  -3.681  -3.665
  797TIP3    H2 8701   2.872  -3.576  -3.560
  798TIP3   OH2 8702   1.395  -3.364  -3.280
  798TIP3    H1 8703   1.420  -3.359  -3.374
  798TIP3    H2 8704   1.481  -3.386  -3.239
  799TIP3   OH2 8705   2.971  -3.393  -2.734
  799TIP3    H1 8706   3.046  -3.454  -2.719
  799TIP3    H2 8707   3.016  -3.310  -2.755
  800TIP3   OH2 8708   3.126  -3.584  -2.613
  800TIP3    H1 8709   3.047  -3.636  -2.637
  800TIP3    H2 8710   3.196  -3.652  -2.616
  801TIP3   OH2 8711   2.891  -4.023  -4.341
  801TIP3    H1 8712   2.950  -4.044  -4.267
  801TIP3    H2 8713   2.803  -4.044  -4.306
  802TIP3   OH2 8714   2.886  -3.827  -3.837
  802TIP3    H1 8715   2.908  -3.922  -3.828
  802TIP3    H2 8716   2.971  -3.792  -3.870
  803TIP3   OH2 8717   2.920  -3.774  -3.292
  803TIP3    H1 8718   3.017  -3.767  -3.294
  803TIP3    H2 8719   2.905  -3.775  -3.196
  804TIP3   OH2 8720   2.934  -3.706  -3.006
  804TIP3    H1 8721   2.850  -3.664  -2.980
  804TIP3    H2 8722   2.989  -3.629  -3.028
  805TIP3   OH2 8723   1.381  -3.835  -2.626
  805TIP3    H1 8724   1.472  -3.859  -2.645
  805TIP3    H2 8725   1.336  -3.921  -2.630
  806TIP3   OH2 8726   3.142  -4.281  -2.433
  806TIP3    H1 8727   3.214  -4.345  -2.447
  806TIP3    H2 8728   3.151  -4.217  -2.507
  807TIP3   OH2 8729   2.924  -4.097  -3.823
  807TIP3    H1 8730   2.948  -4.146  -3.743
  807TIP3    H2 8731   2.862  -4.159  -3.865
  808TIP3   OH2 8732   1.456  -3.989  -3.362
  808TIP3    H1 8733   1.486  -4.082  -3.350
  808TIP3    H2 8734   1.530  -3.940  -3.322
  809TIP3   OH2 8735   1.317  -3.729  -3.256
  809TIP3    H1 8736   1.375  -3.733  -3.334
  809TIP3    H2 8737   1.354  -3.653  -3.209
  810TIP3   OH2 8738   3.129  -4.111  -2.644
  810TIP3    H1 8739   3.044  -4.063  -2.638
  810TIP3    H2 8740   3.121  -4.147  -2.735
  811TIP3   OH2 8741   3.141  -4.072  -4.176
  811TIP3    H1 8742   3.170  -4.146  -4.231
  811TIP3    H2 8743   3.222  -4.019  -4.169
  812TIP3   OH2 8744   1.372  -4.098  -3.851
  812TIP3    H1 8745   1.276  -4.098  -3.871
  812TIP3    H2 8746   1.408  -4.032  -3.913
  813TIP3   OH2 8747   2.829  -2.570  -3.640
  813TIP3    H1 8748   2.877  -2.596  -3.720
  813TIP3    H2 8749   2.901  -2.532  -3.588
  814TIP3   OH2 8750   1.349  -4.126  -3.000
  814TIP3    H1 8751   1.349  -4.220  -2.973
  814TIP3    H2 8752   1.325  -4.134  -3.093
  815TIP3   OH2 8753   1.570  -2.897  -2.568
  815TIP3    H1 8754   1.496  -2.896  -2.630
  815TIP3    H2 8755   1.526  -2.900  -2.482
  816TIP3   OH2 8756   1.854  -2.800  -3.001
  816TIP3    H1 8757   1.822  -2.714  -3.033
  816TIP3    H2 8758   1.950  -2.789  -3.018
  817TIP3   OH2 8759   2.306  -2.670  -2.699
  817TIP3    H1 8760   2.316  -2.685  -2.603
  817TIP3    H2 8761   2.389  -2.623  -2.720
  818TIP3   OH2 8762   2.537  -2.516  -2.776
  818TIP3    H1 8763   2.601  -2.587  -2.796
  818TIP3    H2 8764   2.563  -2.492  -2.685
  819TIP3   OH2 8765   2.993  -4.277  -2.854
  819TIP3    H1 8766   2.943  -4.214  -2.908
  819TIP3    H2 8767   3.010  -4.345  -2.921
  820TIP3   OH2 8768   1.590  -2.506  -2.968
  820TIP3    H1 8769   1.531  -2.443  -3.012
  820TIP3    H2 8770   1.566  -2.490  -2.876
  821TIP3   OH2 8771   1.841  -2.524  -3.111
  821TIP3    H1 8772   1.756  -2.509  -3.066
  821TIP3    H2 8773   1.840  -2.454  -3.178
  822TIP3   OH2 8774   2.318  -2.526  -3.155
  822TIP3    H1 8775   2.278  -2.481  -3.232
  822TIP3    H2 8776   2.323  -2.453  -3.091
  823TIP3   OH2 8777   2.557  -2.644  -3.065
  823TIP3    H1 8778   2.468  -2.620  -3.097
  823TIP3    H2 8779   2.603  -2.559  -3.071
  824TIP3   OH2 8780   2.805  -2.434  -3.059
  824TIP3    H1 8781   2.781  -2.366  -3.123
  824TIP3    H2 8782   2.831  -2.504  -3.122
  825TIP3   OH2 8783   1.552  -2.622  -3.273
  825TIP3    H1 8784   1.546  -2.669  -3.188
  825TIP3    H2 8785   1.627  -2.668  -3.315
  826TIP3   OH2 8786   1.753  -2.749  -3.431
  826TIP3    H1 8787   1.735  -2.841  -3.401
  826TIP3    H2 8788   1.843  -2.734  -3.395
  827TIP3   OH2 8789   2.029  -2.700  -3.339
  827TIP3    H1 8790   2.046  -2.794  -3.361
  827TIP3    H2 8791   2.034  -2.704  -3.243
  828TIP3   OH2 8792   2.357  -4.112  -3.411
  828TIP3    H1 8793   2.295  -4.182  -3.382
  828TIP3    H2 8794   2.417  -4.162  -3.469
  829TIP3   OH2 8795   2.886  -4.329  -3.364
  829TIP3    H1 8796   2.945  -4.288  -3.430
  829TIP3    H2 8797   2.798  -4.306  -3.396
  830TIP3   OH2 8798   3.081  -4.225  -3.583
  830TIP3    H1 8799   3.134  -4.246  -3.660
  830TIP3    H2 8800   3.100  -4.130  -3.569
  831TIP3   OH2 8801   1.594  -4.284  -3.682
  831TIP3    H1 8802   1.500  -4.300  -3.697
  831TIP3    H2 8803   1.624  -4.366  -3.641
  832TIP3   OH2 8804   1.456  -4.282  -4.068
  832TIP3    H1 8805   1.505  -4.228  -4.133
  832TIP3    H2 8806   1.416  -4.214  -4.012
  833TIP3   OH2 8807   2.043  -4.231  -3.658
  833TIP3    H1 8808   2.139  -4.234  -3.669
  833TIP3    H2 8809   2.027  -4.290  -3.583
  834TIP3   OH2 8810   2.598  -4.265  -3.515
  834TIP3    H1 8811   2.630  -4.263  -3.606
  834TIP3    H2 8812   2.583  -4.359  -3.499
  835TIP3   OH2 8813   2.705  -4.271  -3.917
  835TIP3    H1 8814   2.631  -4.214  -3.943
  835TIP3    H2 8815   2.667  -4.359  -3.919
  836TIP3   OH2 8816   1.483  -2.695  -3.966
  836TIP3    H1 8817   1.411  -2.698  -4.032
  836TIP3    H2 8818   1.482  -2.602  -3.942
  837TIP3   OH2 8819   1.642  -4.121  -4.226
  837TIP3    H1 8820   1.705  -4.164  -4.285
  837TIP3    H2 8821   1.702  -4.062  -4.176
  838TIP3   OH2 8822   2.166  -4.057  -3.986
  838TIP3    H1 8823   2.176  -4.142  -3.939
  838TIP3    H2 8824   2.185  -3.991  -3.917
  839TIP3   OH2 8825   2.349  -2.529  -4.147
  839TIP3    H1 8826   2.447  -2.517  -4.139
  839TIP3    H2 8827   2.347  -2.591  -4.222
  840TIP3   OH2 8828   3.022  -2.615  -3.880
  840TIP3    H1 8829   2.994  -2.697  -3.926
  840TIP3    H2 8830   3.000  -2.546  -3.945
  841TIP3   OH2 8831   1.556  -4.178  -2.731
  841TIP3    H1 8832   1.509  -4.257  -2.701
  841TIP3    H2 8833   1.644  -4.216  -2.743
  842TIP3   OH2 8834   1.849  -4.279  -2.468
  842TIP3    H1 8835   1.936  -4.306  -2.506
  842TIP3    H2 8836   1.824  -4.357  -2.417
  843TIP3   OH2 8837   1.685  -2.587  -4.232
  843TIP3    H1 8838   1.639  -2.565  -4.150
  843TIP3    H2 8839   1.745  -2.657  -4.206
  844TIP3   OH2 8840   2.963  -2.735  -2.643
  844TIP3    H1 8841   2.889  -2.757  -2.703
  844TIP3    H2 8842   2.939  -2.644  -2.617
  845TIP3   OH2 8843   4.215  -3.463  -3.312
  845TIP3    H1 8844   4.292  -3.430  -3.262
  845TIP3    H2 8845   4.246  -3.459  -3.403
  846TIP3   OH2 8846   3.516  -3.466  -3.153
  846TIP3    H1 8847   3.516  -3.538  -3.088
  846TIP3    H2 8848   3.586  -3.409  -3.118
  847TIP3   OH2 8849   3.577  -2.999  -3.286
  847TIP3    H1 8850   3.554  -3.082  -3.331
  847TIP3    H2 8851   3.673  -3.001  -3.290
  848TIP3   OH2 8852   3.282  -3.664  -3.764
  848TIP3    H1 8853   3.247  -3.575  -3.748
  848TIP3    H2 8854   3.206  -3.707  -3.806
  849TIP3   OH2 8855   3.358  -3.418  -3.583
  849TIP3    H1 8856   3.378  -3.496  -3.528
  849TIP3    H2 8857   3.445  -3.396  -3.620
  850TIP3   OH2 8858   4.120  -3.172  -3.253
  850TIP3    H1 8859   4.146  -3.245  -3.311
  850TIP3    H2 8860   4.204  -3.150  -3.210
  851TIP3   OH2 8861   3.742  -3.942  -3.503
  851TIP3    H1 8862   3.759  -3.855  -3.546
  851TIP3    H2 8863   3.706  -3.991  -3.579
  852TIP3   OH2 8864   3.411  -3.664  -3.454
  852TIP3    H1 8865   3.474  -3.711  -3.396
  852TIP3    H2 8866   3.421  -3.713  -3.537
  853TIP3   OH2 8867   3.953  -3.528  -3.507
  853TIP3    H1 8868   4.027  -3.581  -3.472
  853TIP3    H2 8869   3.902  -3.598  -3.553
  854TIP3   OH2 8870   3.621  -4.058  -3.088
  854TIP3    H1 8871   3.590  -4.000  -3.159
  854TIP3    H2 8872   3.555  -4.036  -3.018
  855TIP3   OH2 8873   3.915  -3.275  -3.074
  855TIP3    H1 8874   3.842  -3.214  -3.049
  855TIP3    H2 8875   3.980  -3.214  -3.114
  856TIP3   OH2 8876   3.584  -3.857  -3.293
  856TIP3    H1 8877   3.646  -3.795  -3.249
  856TIP3    H2 8878   3.641  -3.890  -3.366
  857TIP3   OH2 8879   3.716  -3.084  -3.000
  857TIP3    H1 8880   3.711  -2.997  -3.043
  857TIP3    H2 8881   3.627  -3.087  -2.960
  858TIP3   OH2 8882   3.341  -3.101  -3.917
  858TIP3    H1 8883   3.327  -3.050  -3.998
  858TIP3    H2 8884   3.372  -3.032  -3.853
  859TIP3   OH2 8885   4.047   4.380  -3.363
  859TIP3    H1 8886   4.040   4.285  -3.348
  859TIP3    H2 8887   3.961   4.416  -3.332
  860TIP3   OH2 8888   4.268  -3.431  -3.919
  860TIP3    H1 8889   4.199  -3.361  -3.923
  860TIP3    H2 8890   4.334  -3.392  -3.977
  861TIP3   OH2 8891   4.287  -3.575  -4.213
  861TIP3    H1 8892   4.353  -3.570  -4.142
  861TIP3    H2 8893   4.300  -3.663  -4.247
  862TIP3   OH2 8894   3.759  -3.341  -3.613
  862TIP3    H1 8895   3.729  -3.381  -3.696
  862TIP3    H2 8896   3.825  -3.405  -3.581
  863TIP3   OH2 8897   3.898  -2.999  -3.339
  863TIP3    H1 8898   3.885  -3.034  -3.428
  863TIP3    H2 8899   3.977  -3.046  -3.308
  864TIP3   OH2 8900   3.817  -3.459  -3.266
  864TIP3    H1 8901   3.876  -3.457  -3.344
  864TIP3    H2 8902   3.856  -3.390  -3.209
  865TIP3   OH2 8903   3.903  -3.023  -2.784
  865TIP3    H1 8904   3.852  -2.956  -2.736
  865TIP3    H2 8905   3.839  -3.048  -2.855
  866TIP3   OH2 8906   3.595  -3.389  -2.868
  866TIP3    H1 8907   3.601  -3.327  -2.793
  866TIP3    H2 8908   3.499  -3.397  -2.880
  867TIP3   OH2 8909   4.257  -2.813  -3.701
  867TIP3    H1 8910   4.300  -2.764  -3.629
  867TIP3    H2 8911   4.201  -2.744  -3.741
  868TIP3   OH2 8912   3.710  -2.804  -2.701
  868TIP3    H1 8913   3.701  -2.802  -2.798
  868TIP3    H2 8914   3.623  -2.835  -2.671
  869TIP3   OH2 8915   3.654  -3.466  -3.867
  869TIP3    H1 8916   3.628  -3.386  -3.916
  869TIP3    H2 8917   3.580  -3.525  -3.886
  870TIP3   OH2 8918   3.254  -3.196  -2.988
  870TIP3    H1 8919   3.214  -3.194  -3.077
  870TIP3    H2 8920   3.268  -3.292  -2.975
  871TIP3   OH2 8921   3.259  -2.919  -3.281
  871TIP3    H1 8922   3.353  -2.935  -3.302
  871TIP3    H2 8923   3.265  -2.843  -3.223
  872TIP3   OH2 8924   4.174  -2.922  -2.833
  872TIP3    H1 8925   4.181  -2.833  -2.796
  872TIP3    H2 8926   4.082  -2.948  -2.812
  873TIP3   OH2 8927   4.189  -2.540  -3.845
  873TIP3    H1 8928   4.204  -2.535  -3.941
  873TIP3    H2 8929   4.207  -2.451  -3.813
  874TIP3   OH2 8930   3.472  -3.039  -2.861
  874TIP3    H1 8931   3.502  -3.090  -2.784
  874TIP3    H2 8932   3.401  -3.094  -2.899
  875TIP3   OH2 8933   3.798  -4.220  -3.274
  875TIP3    H1 8934   3.716  -4.245  -3.318
  875TIP3    H2 8935   3.772  -4.135  -3.234
  876TIP3   OH2 8936   4.227  -4.309  -2.913
  876TIP3    H1 8937   4.258  -4.314  -2.822
  876TIP3    H2 8938   4.133  -4.283  -2.902
  877TIP3   OH2 8939   4.221  -3.984  -4.205
  877TIP3    H1 8940   4.156  -3.994  -4.133
  877TIP3    H2 8941   4.191  -4.051  -4.266
  878TIP3   OH2 8942   3.778  -3.715  -3.148
  878TIP3    H1 8943   3.717  -3.701  -3.073
  878TIP3    H2 8944   3.788  -3.624  -3.184
  879TIP3   OH2 8945   3.775  -3.711  -3.658
  879TIP3    H1 8946   3.679  -3.717  -3.675
  879TIP3    H2 8947   3.809  -3.724  -3.748
  880TIP3   OH2 8948   4.279  -3.673  -3.707
  880TIP3    H1 8949   4.278  -3.578  -3.724
  880TIP3    H2 8950   4.373  -3.694  -3.701
  881TIP3   OH2 8951   4.250  -3.626  -2.628
  881TIP3    H1 8952   4.193  -3.706  -2.617
  881TIP3    H2 8953   4.337  -3.670  -2.625
  882TIP3   OH2 8954   3.520  -3.698  -2.965
  882TIP3    H1 8955   3.542  -3.667  -2.877
  882TIP3    H2 8956   3.479  -3.784  -2.945
  883TIP3   OH2 8957   3.889  -3.962  -4.318
  883TIP3    H1 8958   3.861  -3.986  -4.228
  883TIP3    H2 8959   3.816  -3.905  -4.346
  884TIP3   OH2 8960   3.195  -3.959  -3.601
  884TIP3    H1 8961   3.253  -3.955  -3.522
  884TIP3    H2 8962   3.254  -3.993  -3.670
  885TIP3   OH2 8963   3.352  -3.912  -4.039
  885TIP3    H1 8964   3.412  -3.862  -4.099
  885TIP3    H2 8965   3.288  -3.843  -4.015
  886TIP3   OH2 8966   4.351  -3.573  -3.023
  886TIP3    H1 8967   4.380  -3.639  -3.089
  886TIP3    H2 8968   4.272  -3.615  -2.988
  887TIP3   OH2 8969   4.048  -3.974  -3.560
  887TIP3    H1 8970   3.956  -3.960  -3.533
  887TIP3    H2 8971   4.095  -3.950  -3.478
  888TIP3   OH2 8972   3.508  -3.829  -3.689
  888TIP3    H1 8973   3.427  -3.799  -3.734
  888TIP3    H2 8974   3.535  -3.908  -3.739
  889TIP3   OH2 8975   3.867  -3.789  -3.924
  889TIP3    H1 8976   3.964  -3.781  -3.918
  889TIP3    H2 8977   3.844  -3.729  -3.997
  890TIP3   OH2 8978   3.731  -3.677  -4.158
  890TIP3    H1 8979   3.667  -3.722  -4.215
  890TIP3    H2 8980   3.803  -3.655  -4.218
  891TIP3   OH2 8981   3.582  -3.196  -2.647
  891TIP3    H1 8982   3.650  -3.187  -2.577
  891TIP3    H2 8983   3.502  -3.195  -2.591
  892TIP3   OH2 8984   4.137  -3.741  -3.415
  892TIP3    H1 8985   4.218  -3.764  -3.462
  892TIP3    H2 8986   4.166  -3.744  -3.323
  893TIP3   OH2 8987   3.668  -4.066  -3.756
  893TIP3    H1 8988   3.622  -4.151  -3.744
  893TIP3    H2 8989   3.753  -4.094  -3.792
  894TIP3   OH2 8990   4.047  -3.861  -3.141
  894TIP3    H1 8991   3.980  -3.793  -3.162
  894TIP3    H2 8992   4.100  -3.815  -3.074
  895TIP3   OH2 8993   4.072  -3.228  -3.954
  895TIP3    H1 8994   3.992  -3.269  -3.991
  895TIP3    H2 8995   4.049  -3.213  -3.860
  896TIP3   OH2 8996   4.208  -3.224  -2.832
  896TIP3    H1 8997   4.182  -3.233  -2.740
  896TIP3    H2 8998   4.213  -3.128  -2.845
  897TIP3   OH2 8999   3.575  -3.273  -3.378
  897TIP3    H1 9000   3.632  -3.276  -3.457
  897TIP3    H2 9001   3.593  -3.358  -3.336
  898TIP3   OH2 9002   4.284  -3.081  -4.052
  898TIP3    H1 9003   4.254  -2.990  -4.032
  898TIP3    H2 9004   4.207  -3.133  -4.021
  899TIP3   OH2 9005   3.304  -3.444  -2.852
  899TIP3    H1 9006   3.320  -3.489  -2.766
  899TIP3    H2 9007   3.244  -3.505  -2.898
  900TIP3   OH2 9008   4.001  -3.494  -2.649
  900TIP3    H1 9009   3.966  -3.523  -2.735
  900TIP3    H2 9010   4.096  -3.517  -2.659
  901TIP3   OH2 9011   3.820  -2.944  -3.650
  901TIP3    H1 9012   3.848  -2.853  -3.670
  901TIP3    H2 9013   3.723  -2.937  -3.664
  902TIP3   OH2 9014   3.423  -3.450  -4.199
  902TIP3    H1 9015   3.479  -3.384  -4.152
  902TIP3    H2 9016   3.334  -3.429  -4.165
  903TIP3   OH2 9017   3.995  -3.175  -3.694
  903TIP3    H1 9018   3.970  -3.083  -3.676
  903TIP3    H2 9019   3.924  -3.223  -3.648
  904TIP3   OH2 9020   4.020  -2.744  -3.049
  904TIP3    H1 9021   4.077  -2.673  -3.086
  904TIP3    H2 9022   4.085  -2.795  -3.000
  905TIP3   OH2 9023   3.831  -2.644  -3.740
  905TIP3    H1 9024   3.740  -2.648  -3.711
  905TIP3    H2 9025   3.862  -2.558  -3.707
  906TIP3   OH2 9026   3.437  -3.962  -2.892
  906TIP3    H1 9027   3.346  -3.942  -2.924
  906TIP3    H2 9028   3.420  -4.048  -2.849
  907TIP3   OH2 9029   3.407  -2.797  -3.046
  907TIP3    H1 9030   3.437  -2.889  -3.045
  907TIP3    H2 9031   3.442  -2.766  -2.962
  908TIP3   OH2 9032   4.016  -2.941  -4.332
  908TIP3    H1 9033   4.074  -3.017  -4.349
  908TIP3    H2 9034   3.972  -2.968  -4.249
  909TIP3   OH2 9035   3.886  -2.990  -4.078
  909TIP3    H1 9036   3.925  -3.039  -4.004
  909TIP3    H2 9037   3.896  -2.897  -4.048
  910TIP3   OH2 9038   3.558  -3.245  -4.035
  910TIP3    H1 9039   3.485  -3.204  -3.985
  910TIP3    H2 9040   3.608  -3.166  -4.060
  911TIP3   OH2 9041   4.329  -3.929  -2.977
  911TIP3    H1 9042   4.392  -4.003  -2.988
  911TIP3    H2 9043   4.270  -3.956  -3.049
  912TIP3   OH2 9044   4.169  -2.822  -4.025
  912TIP3    H1 9045   4.088  -2.773  -4.001
  912TIP3    H2 9046   4.210  -2.761  -4.088
  913TIP3   OH2 9047   4.132  -3.867  -3.815
  913TIP3    H1 9048   4.196  -3.797  -3.788
  913TIP3    H2 9049   4.097  -3.888  -3.726
  914TIP3   OH2 9050   4.147  -3.763  -2.879
  914TIP3    H1 9051   4.183  -3.701  -2.815
  914TIP3    H2 9052   4.221  -3.826  -2.895
  915TIP3   OH2 9053   4.198  -4.170  -3.689
  915TIP3    H1 9054   4.171  -4.085  -3.650
  915TIP3    H2 9055   4.271  -4.145  -3.749
  916TIP3   OH2 9056   3.896  -2.710  -4.022
  916TIP3    H1 9057   3.898  -2.623  -4.067
  916TIP3    H2 9058   3.869  -2.684  -3.931
  917TIP3   OH2 9059   3.767  -4.044  -4.073
  917TIP3    H1 9060   3.762  -3.965  -4.016
  917TIP3    H2 9061   3.853  -4.081  -4.045
  918TIP3   OH2 9062   3.604  -2.950  -4.161
  918TIP3    H1 9063   3.678  -2.916  -4.108
  918TIP3    H2 9064   3.650  -3.003  -4.227
  919TIP3   OH2 9065   3.431  -3.734  -4.255
  919TIP3    H1 9066   3.445  -3.638  -4.239
  919TIP3    H2 9067   3.340  -3.735  -4.288
  920TIP3   OH2 9068   3.435  -4.244  -3.355
  920TIP3    H1 9069   3.478  -4.246  -3.442
  920TIP3    H2 9070   3.455  -4.334  -3.325
  921TIP3   OH2 9071   3.342  -2.595  -2.625
  921TIP3    H1 9072   3.403  -2.625  -2.554
  921TIP3    H2 9073   3.305  -2.681  -2.655
  922TIP3   OH2 9074   3.813  -2.691  -2.451
  922TIP3    H1 9075   3.881  -2.756  -2.429
  922TIP3    H2 9076   3.790  -2.719  -2.541
  923TIP3   OH2 9077   4.232  -2.757  -4.318
  923TIP3    H1 9078   4.152  -2.813  -4.325
  923TIP3    H2 9079   4.297  -2.815  -4.358
  924TIP3   OH2 9080   3.341  -3.236  -2.516
  924TIP3    H1 9081   3.350  -3.326  -2.553
  924TIP3    H2 9082   3.264  -3.204  -2.568
  925TIP3   OH2 9083   3.764  -3.201  -4.317
  925TIP3    H1 9084   3.792  -3.242  -4.234
  925TIP3    H2 9085   3.848  -3.190  -4.366
  926TIP3   OH2 9086   4.008  -3.214  -2.584
  926TIP3    H1 9087   3.978  -3.181  -2.671
  926TIP3    H2 9088   4.014  -3.311  -2.599
  927TIP3   OH2 9089   4.272  -3.081  -4.352
  927TIP3    H1 9090   4.322  -3.044  -4.276
  927TIP3    H2 9091   4.333  -3.149  -4.383
  928TIP3   OH2 9092   3.427  -3.525  -2.599
  928TIP3    H1 9093   3.503  -3.585  -2.598
  928TIP3    H2 9094   3.422  -3.499  -2.506
  929TIP3   OH2 9095   3.865  -3.384  -4.095
  929TIP3    H1 9096   3.806  -3.427  -4.031
  929TIP3    H2 9097   3.901  -3.460  -4.143
  930TIP3   OH2 9098   3.796  -3.604  -2.852
  930TIP3    H1 9099   3.738  -3.527  -2.838
  930TIP3    H2 9100   3.852  -3.573  -2.925
  931TIP3   OH2 9101   3.999  -3.592  -4.269
  931TIP3    H1 9102   3.981  -3.582  -4.363
  931TIP3    H2 9103   4.090  -3.561  -4.259
  932TIP3   OH2 9104   4.283  -3.359  -2.484
  932TIP3    H1 9105   4.352  -3.389  -2.543
  932TIP3    H2 9106   4.267  -3.441  -2.434
  933TIP3   OH2 9107   3.852  -3.879  -2.742
  933TIP3    H1 9108   3.864  -3.942  -2.815
  933TIP3    H2 9109   3.839  -3.795  -2.791
  934TIP3   OH2 9110   3.890  -4.041  -3.003
  934TIP3    H1 9111   3.943  -3.981  -3.060
  934TIP3    H2 9112   3.800  -4.026  -3.036
  935TIP3   OH2 9113   4.068  -3.493  -2.967
  935TIP3    H1 9114   4.136  -3.491  -3.036
  935TIP3    H2 9115   4.028  -3.405  -2.978
  936TIP3   OH2 9116   3.675  -3.698  -2.558
  936TIP3    H1 9117   3.622  -3.780  -2.563
  936TIP3    H2 9118   3.754  -3.723  -2.609
  937TIP3   OH2 9119   3.948  -4.280  -2.886
  937TIP3    H1 9120   3.943  -4.187  -2.920
  937TIP3    H2 9121   3.864  -4.314  -2.920
  938TIP3   OH2 9122   4.106  -3.856  -2.588
  938TIP3    H1 9123   4.070  -3.887  -2.503
  938TIP3    H2 9124   4.030  -3.875  -2.647
  939TIP3   OH2 9125   3.552  -3.959  -2.575
  939TIP3    H1 9126   3.526  -4.019  -2.647
  939TIP3    H2 9127   3.506  -3.997  -2.499
  940TIP3   OH2 9128   4.054  -4.147  -2.471
  940TIP3    H1 9129   4.027  -4.228  -2.517
  940TIP3    H2 9130   3.971  -4.095  -2.468
  941TIP3   OH2 9131   3.960  -2.462  -4.172
  941TIP3    H1 9132   4.055  -2.445  -4.163
  941TIP3    H2 9133   3.933  -2.399  -4.241
  942TIP3   OH2 9134   3.332  -3.053  -4.201
  942TIP3    H1 9135   3.421  -3.013  -4.193
  942TIP3    H2 9136   3.340  -3.106  -4.281
  943TIP3   OH2 9137   3.236  -2.498  -3.720
  943TIP3    H1 9138   3.165  -2.535  -3.776
  943TIP3    H2 9139   3.242  -2.567  -3.651
  944TIP3   OH2 9140   3.239  -2.676  -3.505
  944TIP3    H1 9141   3.254  -2.770  -3.527
  944TIP3    H2 9142   3.303  -2.665  -3.433
  945TIP3   OH2 9143   3.280  -3.368  -3.280
  945TIP3    H1 9144   3.304  -3.355  -3.373
  945TIP3    H2 9145   3.368  -3.385  -3.241
  946TIP3   OH2 9146   3.267  -3.836  -2.625
  946TIP3    H1 9147   3.358  -3.858  -2.646
  946TIP3    H2 9148   3.223  -3.922  -2.632
  947TIP3   OH2 9149   3.342  -3.991  -3.361
  947TIP3    H1 9150   3.373  -4.083  -3.350
  947TIP3    H2 9151   3.416  -3.941  -3.323
  948TIP3   OH2 9152   3.203  -3.728  -3.257
  948TIP3    H1 9153   3.262  -3.731  -3.334
  948TIP3    H2 9154   3.239  -3.653  -3.209
  949TIP3   OH2 9155   3.257  -4.103  -3.854
  949TIP3    H1 9156   3.162  -4.095  -3.871
  949TIP3    H2 9157   3.295  -4.033  -3.912
  950TIP3   OH2 9158   3.232  -4.127  -2.998
  950TIP3    H1 9159   3.235  -4.221  -2.973
  950TIP3    H2 9160   3.212  -4.133  -3.092
  951TIP3   OH2 9161   3.456  -2.895  -2.566
  951TIP3    H1 9162   3.384  -2.900  -2.631
  951TIP3    H2 9163   3.409  -2.901  -2.482
  952TIP3   OH2 9164   3.740  -2.795  -2.996
  952TIP3    H1 9165   3.710  -2.712  -3.037
  952TIP3    H2 9166   3.836  -2.789  -3.015
  953TIP3   OH2 9167   4.220  -2.635  -2.710
  953TIP3    H1 9168   4.205  -2.671  -2.621
  953TIP3    H2 9169   4.314  -2.613  -2.704
  954TIP3   OH2 9170   3.478  -2.501  -2.965
  954TIP3    H1 9171   3.422  -2.438  -3.013
  954TIP3    H2 9172   3.441  -2.498  -2.876
  955TIP3   OH2 9173   3.732  -2.523  -3.106
  955TIP3    H1 9174   3.645  -2.506  -3.066
  955TIP3    H2 9175   3.735  -2.458  -3.178
  956TIP3   OH2 9176   4.197  -2.548  -3.154
  956TIP3    H1 9177   4.178  -2.500  -3.236
  956TIP3    H2 9178   4.258  -2.489  -3.109
  957TIP3   OH2 9179   3.430  -2.624  -3.270
  957TIP3    H1 9180   3.436  -2.676  -3.187
  957TIP3    H2 9181   3.507  -2.661  -3.318
  958TIP3   OH2 9182   3.640  -2.718  -3.409
  958TIP3    H1 9183   3.616  -2.804  -3.450
  958TIP3    H2 9184   3.736  -2.726  -3.396
  959TIP3   OH2 9185   3.921  -2.698  -3.340
  959TIP3    H1 9186   3.935  -2.792  -3.362
  959TIP3    H2 9187   3.920  -2.702  -3.243
  960TIP3   OH2 9188   4.259  -4.143  -3.401
  960TIP3    H1 9189   4.179  -4.198  -3.389
  960TIP3    H2 9190   4.292  -4.176  -3.485
  961TIP3   OH2 9191   3.479  -4.284  -3.678
  961TIP3    H1 9192   3.386  -4.298  -3.701
  961TIP3    H2 9193   3.505  -4.369  -3.643
  962TIP3   OH2 9194   3.340  -4.282  -4.068
  962TIP3    H1 9195   3.391  -4.230  -4.134
  962TIP3    H2 9196   3.305  -4.212  -4.011
  963TIP3   OH2 9197   3.934  -4.257  -3.675
  963TIP3    H1 9198   4.026  -4.223  -3.668
  963TIP3    H2 9199   3.918  -4.289  -3.586
  964TIP3   OH2 9200   3.379  -2.690  -3.997
  964TIP3    H1 9201   3.289  -2.695  -4.032
  964TIP3    H2 9202   3.367  -2.635  -3.919
  965TIP3   OH2 9203   3.528  -4.125  -4.224
  965TIP3    H1 9204   3.592  -4.163  -4.286
  965TIP3    H2 9205   3.586  -4.062  -4.177
  966TIP3   OH2 9206   4.051  -4.065  -3.985
  966TIP3    H1 9207   4.065  -4.147  -3.934
  966TIP3    H2 9208   4.065  -3.995  -3.918
  967TIP3   OH2 9209   4.270  -2.544  -4.143
  967TIP3    H1 9210   4.355  -2.504  -4.167
  967TIP3    H2 9211   4.252  -2.600  -4.222
  968TIP3   OH2 9212   3.440  -4.178  -2.729
  968TIP3    H1 9213   3.396  -4.260  -2.701
  968TIP3    H2 9214   3.529  -4.213  -2.745
  969TIP3   OH2 9215   3.732  -4.279  -2.467
  969TIP3    H1 9216   3.820  -4.303  -2.504
  969TIP3    H2 9217   3.709  -4.359  -2.419
  970TIP3   OH2 9218   3.573  -2.584  -4.228
  970TIP3    H1 9219   3.520  -2.571  -4.148
  970TIP3    H2 9220   3.627  -2.659  -4.204
  971TIP3   OH2 9221  -3.162  -1.483  -3.631
  971TIP3    H1 9222  -3.161  -1.387  -3.616
  971TIP3    H2 9223  -3.240  -1.493  -3.687
  972TIP3   OH2 9224  -3.265  -1.536  -3.318
  972TIP3    H1 9225  -3.272  -1.594  -3.240
  972TIP3    H2 9226  -3.298  -1.594  -3.388
  973TIP3   OH2 9227  -4.024  -1.578  -3.158
  973TIP3    H1 9228  -4.033  -1.651  -3.094
  973TIP3    H2 9229  -3.964  -1.519  -3.112
  974TIP3   OH2 9230  -2.905  -1.254  -3.480
  974TIP3    H1 9231  -2.938  -1.326  -3.425
  974TIP3    H2 9232  -2.879  -1.190  -3.412
  975TIP3   OH2 9233  -3.956  -1.114  -3.304
  975TIP3    H1 9234  -3.984  -1.206  -3.322
  975TIP3    H2 9235  -3.868  -1.128  -3.265
  976TIP3   OH2 9236  -4.202  -1.814  -3.845
  976TIP3    H1 9237  -4.209  -1.729  -3.799
  976TIP3    H2 9238  -4.290  -1.850  -3.826
  977TIP3   OH2 9239  -4.198  -1.554  -3.615
  977TIP3    H1 9240  -4.190  -1.600  -3.530
  977TIP3    H2 9241  -4.122  -1.494  -3.613
  978TIP3   OH2 9242  -3.202  -0.727  -3.435
  978TIP3    H1 9243  -3.142  -0.800  -3.462
  978TIP3    H2 9244  -3.231  -0.755  -3.347
  979TIP3   OH2 9245  -3.421  -1.286  -3.264
  979TIP3    H1 9246  -3.386  -1.357  -3.321
  979TIP3    H2 9247  -3.342  -1.267  -3.211
  980TIP3   OH2 9248  -2.563  -2.131  -3.201
  980TIP3    H1 9249  -2.535  -2.073  -3.127
  980TIP3    H2 9250  -2.498  -2.105  -3.269
  981TIP3   OH2 9251  -3.100  -1.852  -3.214
  981TIP3    H1 9252  -3.082  -1.948  -3.206
  981TIP3    H2 9253  -3.104  -1.841  -3.310
  982TIP3   OH2 9254  -3.793  -2.051  -3.507
  982TIP3    H1 9255  -3.787  -1.963  -3.550
  982TIP3    H2 9256  -3.838  -2.102  -3.577
  983TIP3   OH2 9257  -3.014  -2.043  -3.678
  983TIP3    H1 9258  -2.956  -2.077  -3.606
  983TIP3    H2 9259  -2.950  -1.994  -3.730
  984TIP3   OH2 9260  -4.137  -1.779  -3.451
  984TIP3    H1 9261  -4.080  -1.820  -3.384
  984TIP3    H2 9262  -4.121  -1.836  -3.527
  985TIP3   OH2 9263  -3.587  -1.640  -3.513
  985TIP3    H1 9264  -3.521  -1.697  -3.469
  985TIP3    H2 9265  -3.644  -1.706  -3.556
  986TIP3   OH2 9266  -2.486  -1.996  -2.952
  986TIP3    H1 9267  -2.548  -1.926  -2.977
  986TIP3    H2 9268  -2.507  -2.005  -2.858
  987TIP3   OH2 9269  -3.918  -2.169  -3.088
  987TIP3    H1 9270  -3.964  -2.122  -3.160
  987TIP3    H2 9271  -3.981  -2.154  -3.014
  988TIP3   OH2 9272  -3.169  -1.197  -3.750
  988TIP3    H1 9273  -3.204  -1.217  -3.838
  988TIP3    H2 9274  -3.213  -1.112  -3.730
  989TIP3   OH2 9275  -3.629  -1.385  -3.081
  989TIP3    H1 9276  -3.702  -1.327  -3.049
  989TIP3    H2 9277  -3.569  -1.320  -3.120
  990TIP3   OH2 9278  -2.837  -2.108  -3.469
  990TIP3    H1 9279  -2.868  -2.170  -3.402
  990TIP3    H2 9280  -2.778  -2.051  -3.417
  991TIP3   OH2 9281  -3.957  -1.967  -3.296
  991TIP3    H1 9282  -3.895  -1.908  -3.249
  991TIP3    H2 9283  -3.897  -2.003  -3.365
  992TIP3   OH2 9284  -3.833  -1.193  -3.012
  992TIP3    H1 9285  -3.820  -1.096  -3.016
  992TIP3    H2 9286  -3.886  -1.196  -2.931
  993TIP3   OH2 9287  -4.188  -1.238  -3.915
  993TIP3    H1 9288  -4.253  -1.213  -3.984
  993TIP3    H2 9289  -4.205  -1.172  -3.846
  994TIP3   OH2 9290  -2.849  -1.087  -3.206
  994TIP3    H1 9291  -2.943  -1.068  -3.222
  994TIP3    H2 9292  -2.808  -1.004  -3.236
  995TIP3   OH2 9293  -2.820  -2.196  -3.087
  995TIP3    H1 9294  -2.896  -2.154  -3.131
  995TIP3    H2 9295  -2.746  -2.176  -3.147
  996TIP3   OH2 9296  -3.565  -2.462  -3.440
  996TIP3    H1 9297  -3.476  -2.427  -3.434
  996TIP3    H2 9298  -3.615  -2.404  -3.383
  997TIP3   OH2 9299  -3.020  -0.889  -3.581
  997TIP3    H1 9300  -2.970  -0.966  -3.614
  997TIP3    H2 9301  -2.953  -0.818  -3.592
  998TIP3   OH2 9302  -2.874  -1.103  -3.721
  998TIP3    H1 9303  -2.930  -1.149  -3.785
  998TIP3    H2 9304  -2.879  -1.162  -3.644
  999TIP3   OH2 9305  -3.291  -1.535  -3.904
  999TIP3    H1 9306  -3.358  -1.470  -3.934
  999TIP3    H2 9307  -3.220  -1.521  -3.968
 1000TIP3   OH2 9308  -3.273  -1.708  -4.206
 1000TIP3    H1 9309  -3.206  -1.673  -4.144
 1000TIP3    H2 9310  -3.217  -1.769  -4.260
 1001TIP3   OH2 9311  -2.559  -1.595  -3.079
 1001TIP3    H1 9312  -2.623  -1.524  -3.066
 1001TIP3    H2 9313  -2.508  -1.563  -3.156
 1002TIP3   OH2 9314  -2.945  -1.532  -3.795
 1002TIP3    H1 9315  -3.013  -1.509  -3.727
 1002TIP3    H2 9316  -2.883  -1.585  -3.741
 1003TIP3   OH2 9317  -2.957  -1.679  -2.908
 1003TIP3    H1 9318  -2.968  -1.615  -2.836
 1003TIP3    H2 9319  -3.024  -1.647  -2.971
 1004TIP3   OH2 9320  -3.779  -1.449  -3.618
 1004TIP3    H1 9321  -3.815  -1.493  -3.698
 1004TIP3    H2 9322  -3.718  -1.517  -3.584
 1005TIP3   OH2 9323  -3.643  -1.109  -3.345
 1005TIP3    H1 9324  -3.657  -1.153  -3.430
 1005TIP3    H2 9325  -3.566  -1.157  -3.310
 1006TIP3   OH2 9326  -3.727  -1.573  -3.273
 1006TIP3    H1 9327  -3.666  -1.564  -3.349
 1006TIP3    H2 9328  -3.694  -1.505  -3.211
 1007TIP3   OH2 9329  -3.119  -1.024  -3.210
 1007TIP3    H1 9330  -3.138  -0.949  -3.151
 1007TIP3    H2 9331  -3.155  -1.101  -3.162
 1008TIP3   OH2 9332  -3.035  -1.584  -4.058
 1008TIP3    H1 9333  -2.994  -1.557  -3.973
 1008TIP3    H2 9334  -2.975  -1.541  -4.121
 1009TIP3   OH2 9335  -3.956  -1.506  -2.870
 1009TIP3    H1 9336  -3.947  -1.448  -2.791
 1009TIP3    H2 9337  -4.054  -1.508  -2.877
 1010TIP3   OH2 9338  -3.302  -0.924  -3.696
 1010TIP3    H1 9339  -3.255  -0.896  -3.616
 1010TIP3    H2 9340  -3.351  -0.844  -3.720
 1011TIP3   OH2 9341  -2.696  -2.412  -4.077
 1011TIP3    H1 9342  -2.784  -2.392  -4.040
 1011TIP3    H2 9343  -2.666  -2.326  -4.107
 1012TIP3   OH2 9344  -3.887  -1.580  -3.870
 1012TIP3    H1 9345  -3.916  -1.499  -3.917
 1012TIP3    H2 9346  -3.961  -1.640  -3.887
 1013TIP3   OH2 9347  -2.590  -0.985  -4.251
 1013TIP3    H1 9348  -2.559  -0.905  -4.206
 1013TIP3    H2 9349  -2.515  -1.046  -4.241
 1014TIP3   OH2 9350  -4.275  -1.298  -3.021
 1014TIP3    H1 9351  -4.293  -1.340  -3.107
 1014TIP3    H2 9352  -4.313  -1.361  -2.959
 1015TIP3   OH2 9353  -4.275  -1.008  -3.316
 1015TIP3    H1 9354  -4.198  -1.060  -3.291
 1015TIP3    H2 9355  -4.307  -0.973  -3.232
 1016TIP3   OH2 9356  -2.444  -0.957  -2.721
 1016TIP3    H1 9357  -2.455  -1.053  -2.732
 1016TIP3    H2 9358  -2.532  -0.930  -2.686
 1017TIP3   OH2 9359  -3.385  -1.043  -2.837
 1017TIP3    H1 9360  -3.362  -0.961  -2.790
 1017TIP3    H2 9361  -3.476  -1.058  -2.806
 1018TIP3   OH2 9362  -3.346  -0.654  -3.848
 1018TIP3    H1 9363  -3.347  -0.641  -3.944
 1018TIP3    H2 9364  -3.343  -0.563  -3.813
 1019TIP3   OH2 9365  -3.978  -0.739  -3.677
 1019TIP3    H1 9366  -3.954  -0.782  -3.592
 1019TIP3    H2 9367  -4.054  -0.795  -3.700
 1020TIP3   OH2 9368  -3.024  -0.693  -4.139
 1020TIP3    H1 9369  -2.978  -0.751  -4.203
 1020TIP3    H2 9370  -3.020  -0.746  -4.058
 1021TIP3   OH2 9371  -3.075  -0.765  -3.863
 1021TIP3    H1 9372  -3.168  -0.748  -3.841
 1021TIP3    H2 9373  -3.053  -0.832  -3.796
 1022TIP3   OH2 9374  -2.762  -1.816  -2.681
 1022TIP3    H1 9375  -2.816  -1.783  -2.754
 1022TIP3    H2 9376  -2.761  -1.912  -2.697
 1023TIP3   OH2 9377  -4.115  -1.145  -2.834
 1023TIP3    H1 9378  -4.040  -1.186  -2.788
 1023TIP3    H2 9379  -4.150  -1.214  -2.894
 1024TIP3   OH2 9380  -3.746  -2.300  -3.287
 1024TIP3    H1 9381  -3.828  -2.317  -3.338
 1024TIP3    H2 9382  -3.778  -2.234  -3.224
 1025TIP3   OH2 9383  -3.335  -2.382  -2.885
 1025TIP3    H1 9384  -3.269  -2.428  -2.871
 1025TIP3    H2 9385  -3.319  -2.296  -2.817
 1026TIP3   OH2 9386  -3.000  -1.973  -2.876
 1026TIP3    H1 9387  -3.053  -1.990  -2.796
 1026TIP3    H2 9388  -3.002  -1.876  -2.884
 1027TIP3   OH2 9389  -2.814  -1.504  -4.252
 1027TIP3    H1 9390  -2.861  -1.517  -4.336
 1027TIP3    H2 9391  -2.783  -1.414  -4.265
 1028TIP3   OH2 9392  -3.334  -2.123  -4.191
 1028TIP3    H1 9393  -3.392  -2.103  -4.117
 1028TIP3    H2 9394  -3.388  -2.182  -4.245
 1029TIP3   OH2 9395  -3.760  -1.830  -3.147
 1029TIP3    H1 9396  -3.821  -1.819  -3.072
 1029TIP3    H2 9397  -3.757  -1.739  -3.183
 1030TIP3   OH2 9398  -3.769  -1.821  -3.661
 1030TIP3    H1 9399  -3.865  -1.829  -3.673
 1030TIP3    H2 9400  -3.738  -1.837  -3.751
 1031TIP3   OH2 9401  -3.221  -1.782  -3.797
 1031TIP3    H1 9402  -3.253  -1.692  -3.821
 1031TIP3    H2 9403  -3.144  -1.790  -3.856
 1032TIP3   OH2 9404  -3.279  -1.751  -2.649
 1032TIP3    H1 9405  -3.336  -1.820  -2.609
 1032TIP3    H2 9406  -3.195  -1.765  -2.601
 1033TIP3   OH2 9407  -3.122  -1.827  -3.507
 1033TIP3    H1 9408  -3.153  -1.768  -3.579
 1033TIP3    H2 9409  -3.102  -1.907  -3.559
 1034TIP3   OH2 9410  -4.019  -1.816  -2.966
 1034TIP3    H1 9411  -4.002  -1.773  -2.882
 1034TIP3    H2 9412  -4.051  -1.903  -2.938
 1035TIP3   OH2 9413  -3.652  -2.076  -4.308
 1035TIP3    H1 9414  -3.699  -2.101  -4.228
 1035TIP3    H2 9415  -3.720  -2.021  -4.352
 1036TIP3   OH2 9416  -4.321  -2.046  -3.596
 1036TIP3    H1 9417  -4.305  -2.076  -3.505
 1036TIP3    H2 9418  -4.287  -2.120  -3.647
 1037TIP3   OH2 9419  -4.207  -2.028  -4.043
 1037TIP3    H1 9420  -4.148  -1.985  -4.107
 1037TIP3    H2 9421  -4.275  -1.961  -4.032
 1038TIP3   OH2 9422  -3.206  -1.657  -3.053
 1038TIP3    H1 9423  -3.165  -1.730  -3.106
 1038TIP3    H2 9424  -3.248  -1.708  -2.981
 1039TIP3   OH2 9425  -3.504  -2.072  -3.572
 1039TIP3    H1 9426  -3.595  -2.067  -3.535
 1039TIP3    H2 9427  -3.451  -2.084  -3.492
 1040TIP3   OH2 9428  -4.029  -1.945  -3.682
 1040TIP3    H1 9429  -4.103  -1.915  -3.740
 1040TIP3    H2 9430  -4.003  -2.028  -3.725
 1041TIP3   OH2 9431  -3.669  -1.909  -3.930
 1041TIP3    H1 9432  -3.575  -1.887  -3.924
 1041TIP3    H2 9433  -3.702  -1.844  -3.996
 1042TIP3   OH2 9434  -3.057  -2.150  -3.260
 1042TIP3    H1 9435  -3.115  -2.151  -3.181
 1042TIP3    H2 9436  -3.119  -2.179  -3.329
 1043TIP3   OH2 9437  -3.809  -1.794  -4.156
 1043TIP3    H1 9438  -3.876  -1.835  -4.213
 1043TIP3    H2 9439  -3.741  -1.767  -4.219
 1044TIP3   OH2 9440  -2.742  -0.582  -2.592
 1044TIP3    H1 9441  -2.731  -0.524  -2.669
 1044TIP3    H2 9442  -2.692  -0.533  -2.525
 1045TIP3   OH2 9443  -3.966  -1.342  -2.639
 1045TIP3    H1 9444  -3.895  -1.293  -2.593
 1045TIP3    H2 9445  -4.042  -1.303  -2.593
 1046TIP3   OH2 9446  -3.390  -1.811  -3.377
 1046TIP3    H1 9447  -3.312  -1.851  -3.418
 1046TIP3    H2 9448  -3.406  -1.869  -3.300
 1047TIP3   OH2 9449  -3.868  -2.176  -3.751
 1047TIP3    H1 9450  -3.926  -2.254  -3.750
 1047TIP3    H2 9451  -3.810  -2.194  -3.826
 1048TIP3   OH2 9452  -3.488  -1.961  -3.151
 1048TIP3    H1 9453  -3.569  -1.906  -3.148
 1048TIP3    H2 9454  -3.443  -1.936  -3.068
 1049TIP3   OH2 9455  -3.472  -1.329  -3.959
 1049TIP3    H1 9456  -3.552  -1.373  -3.995
 1049TIP3    H2 9457  -3.496  -1.318  -3.864
 1050TIP3   OH2 9458  -2.763  -1.383  -3.058
 1050TIP3    H1 9459  -2.712  -1.329  -3.121
 1050TIP3    H2 9460  -2.843  -1.402  -3.111
 1051TIP3   OH2 9461  -3.070  -2.057  -4.172
 1051TIP3    H1 9462  -3.166  -2.047  -4.183
 1051TIP3    H2 9463  -3.043  -1.977  -4.123
 1052TIP3   OH2 9464  -3.300  -1.326  -2.829
 1052TIP3    H1 9465  -3.342  -1.359  -2.747
 1052TIP3    H2 9466  -3.333  -1.234  -2.830
 1053TIP3   OH2 9467  -3.002  -1.863  -3.988
 1053TIP3    H1 9468  -2.915  -1.880  -3.945
 1053TIP3    H2 9469  -2.988  -1.774  -4.027
 1054TIP3   OH2 9470  -3.982  -1.398  -3.394
 1054TIP3    H1 9471  -3.909  -1.399  -3.457
 1054TIP3    H2 9472  -3.963  -1.475  -3.338
 1055TIP3   OH2 9473  -3.234  -1.190  -4.069
 1055TIP3    H1 9474  -3.262  -1.102  -4.038
 1055TIP3    H2 9475  -3.311  -1.243  -4.042
 1056TIP3   OH2 9476  -4.234  -1.543  -2.824
 1056TIP3    H1 9477  -4.233  -1.605  -2.749
 1056TIP3    H2 9478  -4.286  -1.592  -2.891
 1057TIP3   OH2 9479  -3.543  -1.607  -2.649
 1057TIP3    H1 9480  -3.578  -1.632  -2.737
 1057TIP3    H2 9481  -3.448  -1.628  -2.660
 1058TIP3   OH2 9482  -2.530  -1.850  -3.998
 1058TIP3    H1 9483  -2.592  -1.870  -4.070
 1058TIP3    H2 9484  -2.517  -1.756  -4.016
 1059TIP3   OH2 9485  -2.514  -1.255  -2.746
 1059TIP3    H1 9486  -2.604  -1.235  -2.776
 1059TIP3    H2 9487  -2.468  -1.271  -2.831
 1060TIP3   OH2 9488  -2.708  -0.997  -3.992
 1060TIP3    H1 9489  -2.736  -1.072  -3.939
 1060TIP3    H2 9490  -2.673  -1.038  -4.072
 1061TIP3   OH2 9491  -2.984  -1.468  -3.242
 1061TIP3    H1 9492  -3.076  -1.484  -3.273
 1061TIP3    H2 9493  -2.936  -1.536  -3.294
 1062TIP3   OH2 9494  -3.725  -1.058  -3.658
 1062TIP3    H1 9495  -3.687  -0.969  -3.663
 1062TIP3    H2 9496  -3.819  -1.039  -3.671
 1063TIP3   OH2 9497  -4.158  -1.563  -4.191
 1063TIP3    H1 9498  -4.083  -1.504  -4.167
 1063TIP3    H2 9499  -4.232  -1.506  -4.170
 1064TIP3   OH2 9500  -3.543  -1.287  -3.692
 1064TIP3    H1 9501  -3.573  -1.196  -3.676
 1064TIP3    H2 9502  -3.615  -1.337  -3.650
 1065TIP3   OH2 9503  -3.522  -0.863  -3.057
 1065TIP3    H1 9504  -3.468  -0.786  -3.080
 1065TIP3    H2 9505  -3.467  -0.908  -2.991
 1066TIP3   OH2 9506  -3.681  -0.766  -3.737
 1066TIP3    H1 9507  -3.777  -0.754  -3.723
 1066TIP3    H2 9508  -3.647  -0.679  -3.707
 1067TIP3   OH2 9509  -3.156  -1.280  -3.070
 1067TIP3    H1 9510  -3.207  -1.317  -2.995
 1067TIP3    H2 9511  -3.106  -1.357  -3.103
 1068TIP3   OH2 9512  -2.970  -1.162  -4.195
 1068TIP3    H1 9513  -2.921  -1.204  -4.121
 1068TIP3    H2 9514  -3.060  -1.167  -4.159
 1069TIP3   OH2 9515  -2.908  -0.862  -2.880
 1069TIP3    H1 9516  -2.986  -0.849  -2.939
 1069TIP3    H2 9517  -2.859  -0.780  -2.904
 1070TIP3   OH2 9518  -2.480  -0.712  -4.160
 1070TIP3    H1 9519  -2.411  -0.644  -4.144
 1070TIP3    H2 9520  -2.560  -0.661  -4.135
 1071TIP3   OH2 9521  -4.100  -2.086  -2.888
 1071TIP3    H1 9522  -4.186  -2.046  -2.910
 1071TIP3    H2 9523  -4.123  -2.170  -2.845
 1072TIP3   OH2 9524  -2.871  -1.299  -3.970
 1072TIP3    H1 9525  -2.898  -1.368  -3.906
 1072TIP3    H2 9526  -2.774  -1.300  -3.960
 1073TIP3   OH2 9527  -4.122  -0.904  -3.032
 1073TIP3    H1 9528  -4.111  -0.999  -3.045
 1073TIP3    H2 9529  -4.080  -0.899  -2.945
 1074TIP3   OH2 9530  -3.520  -1.054  -4.326
 1074TIP3    H1 9531  -3.484  -1.140  -4.354
 1074TIP3    H2 9532  -3.575  -1.081  -4.250
 1075TIP3   OH2 9533  -3.663  -1.099  -4.077
 1075TIP3    H1 9534  -3.616  -1.150  -4.010
 1075TIP3    H2 9535  -3.646  -1.007  -4.049
 1076TIP3   OH2 9536  -3.983  -1.363  -4.035
 1076TIP3    H1 9537  -4.060  -1.323  -3.988
 1076TIP3    H2 9538  -3.941  -1.282  -4.067
 1077TIP3   OH2 9539  -3.205  -2.118  -3.037
 1077TIP3    H1 9540  -3.149  -2.077  -2.970
 1077TIP3    H2 9541  -3.263  -2.176  -2.986
 1078TIP3   OH2 9542  -3.163  -2.175  -3.915
 1078TIP3    H1 9543  -3.136  -2.126  -3.994
 1078TIP3    H2 9544  -3.116  -2.127  -3.845
 1079TIP3   OH2 9545  -3.368  -0.941  -4.029
 1079TIP3    H1 9546  -3.446  -0.890  -4.001
 1079TIP3    H2 9547  -3.317  -0.873  -4.073
 1080TIP3   OH2 9548  -3.398  -2.015  -3.822
 1080TIP3    H1 9549  -3.338  -1.937  -3.823
 1080TIP3    H2 9550  -3.443  -2.002  -3.735
 1081TIP3   OH2 9551  -3.361  -1.874  -2.901
 1081TIP3    H1 9552  -3.365  -1.822  -2.819
 1081TIP3    H2 9553  -3.313  -1.952  -2.869
 1082TIP3   OH2 9554  -3.648  -0.822  -4.025
 1082TIP3    H1 9555  -3.645  -0.736  -4.071
 1082TIP3    H2 9556  -3.663  -0.794  -3.932
 1083TIP3   OH2 9557  -3.761  -2.162  -4.054
 1083TIP3    H1 9558  -3.757  -2.075  -4.011
 1083TIP3    H2 9559  -3.670  -2.194  -4.049
 1084TIP3   OH2 9560  -2.740  -2.070  -2.814
 1084TIP3    H1 9561  -2.837  -2.061  -2.826
 1084TIP3    H2 9562  -2.716  -2.096  -2.904
 1085TIP3   OH2 9563  -2.889  -1.688  -3.409
 1085TIP3    H1 9564  -2.972  -1.732  -3.435
 1085TIP3    H2 9565  -2.841  -1.759  -3.361
 1086TIP3   OH2 9566  -3.934  -1.060  -4.162
 1086TIP3    H1 9567  -3.853  -1.038  -4.113
 1086TIP3    H2 9568  -3.898  -1.120  -4.229
 1087TIP3   OH2 9569  -4.099  -1.848  -4.260
 1087TIP3    H1 9570  -4.105  -1.753  -4.239
 1087TIP3    H2 9571  -4.189  -1.867  -4.291
 1088TIP3   OH2 9572  -2.779  -0.805  -3.261
 1088TIP3    H1 9573  -2.807  -0.729  -3.316
 1088TIP3    H2 9574  -2.686  -0.781  -3.247
 1089TIP3   OH2 9575  -4.023  -2.364  -3.374
 1089TIP3    H1 9576  -4.060  -2.362  -3.465
 1089TIP3    H2 9577  -4.069  -2.441  -3.335
 1090TIP3   OH2 9578  -4.132  -0.984  -3.741
 1090TIP3    H1 9579  -4.228  -0.966  -3.736
 1090TIP3    H2 9580  -4.109  -0.957  -3.831
 1091TIP3   OH2 9581  -4.213  -0.711  -2.635
 1091TIP3    H1 9582  -4.146  -0.704  -2.563
 1091TIP3    H2 9583  -4.215  -0.808  -2.642
 1092TIP3   OH2 9584  -3.704  -0.792  -2.461
 1092TIP3    H1 9585  -3.655  -0.866  -2.424
 1092TIP3    H2 9586  -3.744  -0.836  -2.538
 1093TIP3   OH2 9587  -3.305  -0.870  -4.333
 1093TIP3    H1 9588  -3.386  -0.925  -4.326
 1093TIP3    H2 9589  -3.240  -0.939  -4.352
 1094TIP3   OH2 9590  -3.044  -1.018  -2.631
 1094TIP3    H1 9591  -3.117  -1.067  -2.588
 1094TIP3    H2 9592  -3.013  -0.965  -2.555
 1095TIP3   OH2 9593  -2.918  -0.900  -4.289
 1095TIP3    H1 9594  -2.893  -0.981  -4.242
 1095TIP3    H2 9595  -2.833  -0.861  -4.315
 1096TIP3   OH2 9596  -4.216  -1.322  -2.548
 1096TIP3    H1 9597  -4.182  -1.394  -2.604
 1096TIP3    H2 9598  -4.276  -1.275  -2.607
 1097TIP3   OH2 9599  -3.775  -1.296  -4.307
 1097TIP3    H1 9600  -3.754  -1.359  -4.236
 1097TIP3    H2 9601  -3.703  -1.306  -4.370
 1098TIP3   OH2 9602  -3.526  -1.317  -2.614
 1098TIP3    H1 9603  -3.598  -1.292  -2.673
 1098TIP3    H2 9604  -3.534  -1.414  -2.607
 1099TIP3   OH2 9605  -3.245  -1.190  -4.348
 1099TIP3    H1 9606  -3.231  -1.177  -4.252
 1099TIP3    H2 9607  -3.180  -1.258  -4.370
 1100TIP3   OH2 9608  -4.139  -1.661  -2.583
 1100TIP3    H1 9609  -4.052  -1.704  -2.595
 1100TIP3    H2 9610  -4.122  -1.607  -2.505
 1101TIP3   OH2 9611  -3.674  -1.498  -4.091
 1101TIP3    H1 9612  -3.737  -1.540  -4.030
 1101TIP3    H2 9613  -3.641  -1.573  -4.143
 1102TIP3   OH2 9614  -3.747  -1.723  -2.853
 1102TIP3    H1 9615  -3.806  -1.647  -2.835
 1102TIP3    H2 9616  -3.686  -1.685  -2.918
 1103TIP3   OH2 9617  -3.553  -1.695  -4.270
 1103TIP3    H1 9618  -3.556  -1.708  -4.365
 1103TIP3    H2 9619  -3.457  -1.691  -4.253
 1104TIP3   OH2 9620  -3.228  -1.456  -2.502
 1104TIP3    H1 9621  -3.137  -1.473  -2.531
 1104TIP3    H2 9622  -3.247  -1.536  -2.450
 1105TIP3   OH2 9623  -3.690  -1.994  -2.741
 1105TIP3    H1 9624  -3.684  -2.059  -2.812
 1105TIP3    H2 9625  -3.712  -1.913  -2.789
 1106TIP3   OH2 9626  -3.656  -2.146  -2.997
 1106TIP3    H1 9627  -3.608  -2.093  -3.063
 1106TIP3    H2 9628  -3.748  -2.144  -3.031
 1107TIP3   OH2 9629  -3.501  -1.601  -2.957
 1107TIP3    H1 9630  -3.418  -1.607  -3.006
 1107TIP3    H2 9631  -3.536  -1.515  -2.988
 1108TIP3   OH2 9632  -3.042  -1.826  -2.485
 1108TIP3    H1 9633  -3.028  -1.918  -2.459
 1108TIP3    H2 9634  -2.958  -1.786  -2.456
 1109TIP3   OH2 9635  -2.957  -1.512  -2.657
 1109TIP3    H1 9636  -2.974  -1.435  -2.712
 1109TIP3    H2 9637  -2.862  -1.529  -2.675
 1110TIP3   OH2 9638  -3.881  -1.805  -2.565
 1110TIP3    H1 9639  -3.930  -1.889  -2.566
 1110TIP3    H2 9640  -3.797  -1.829  -2.606
 1111TIP3   OH2 9641  -3.604  -2.420  -2.962
 1111TIP3    H1 9642  -3.608  -2.325  -2.976
 1111TIP3    H2 9643  -3.671  -2.457  -3.024
 1112TIP3   OH2 9644  -3.456  -1.956  -2.584
 1112TIP3    H1 9645  -3.486  -1.978  -2.494
 1112TIP3    H2 9646  -3.538  -1.976  -2.634
 1113TIP3   OH2 9647  -3.202  -2.064  -2.693
 1113TIP3    H1 9648  -3.289  -2.049  -2.652
 1113TIP3    H2 9649  -3.154  -2.105  -2.618
 1114TIP3   OH2 9650  -3.030  -2.165  -2.463
 1114TIP3    H1 9651  -3.041  -2.262  -2.469
 1114TIP3    H2 9652  -3.066  -2.146  -2.375
 1115TIP3   OH2 9653  -4.017  -2.059  -2.579
 1115TIP3    H1 9654  -4.016  -2.132  -2.643
 1115TIP3    H2 9655  -4.032  -2.105  -2.495
 1116TIP3   OH2 9656  -3.601  -2.463  -2.677
 1116TIP3    H1 9657  -3.541  -2.539  -2.673
 1116TIP3    H2 9658  -3.600  -2.446  -2.774
 1117TIP3   OH2 9659  -3.500  -2.276  -2.491
 1117TIP3    H1 9660  -3.533  -2.335  -2.561
 1117TIP3    H2 9661  -3.570  -2.208  -2.486
 1118TIP3   OH2 9662  -3.594  -0.573  -4.172
 1118TIP3    H1 9663  -3.499  -0.560  -4.160
 1118TIP3    H2 9664  -3.616  -0.512  -4.245
 1119TIP3   OH2 9665  -4.187  -1.161  -4.193
 1119TIP3    H1 9666  -4.105  -1.109  -4.179
 1119TIP3    H2 9667  -4.189  -1.173  -4.288
 1120TIP3   OH2 9668  -4.272  -0.801  -3.522
 1120TIP3    H1 9669  -4.275  -0.893  -3.488
 1120TIP3    H2 9670  -4.245  -0.755  -3.441
 1121TIP3   OH2 9671  -2.513  -0.693  -3.223
 1121TIP3    H1 9672  -2.506  -0.688  -3.126
 1121TIP3    H2 9673  -2.429  -0.654  -3.250
 1122TIP3   OH2 9674  -2.549  -0.764  -2.942
 1122TIP3    H1 9675  -2.595  -0.843  -2.973
 1122TIP3    H2 9676  -2.487  -0.801  -2.878
 1123TIP3   OH2 9677  -2.743  -1.186  -2.521
 1123TIP3    H1 9678  -2.820  -1.191  -2.461
 1123TIP3    H2 9679  -2.686  -1.121  -2.475
 1124TIP3   OH2 9680  -2.586  -1.316  -3.930
 1124TIP3    H1 9681  -2.497  -1.280  -3.917
 1124TIP3    H2 9682  -2.590  -1.379  -3.856
 1125TIP3   OH2 9683  -2.541  -1.515  -3.732
 1125TIP3    H1 9684  -2.607  -1.571  -3.687
 1125TIP3    H2 9685  -2.472  -1.502  -3.664
 1126TIP3   OH2 9686  -2.566  -1.265  -3.235
 1126TIP3    H1 9687  -2.505  -1.314  -3.291
 1126TIP3    H2 9688  -2.553  -1.174  -3.267
 1127TIP3   OH2 9689  -2.514  -1.549  -4.107
 1127TIP3    H1 9690  -2.574  -1.517  -4.176
 1127TIP3    H2 9691  -2.530  -1.482  -4.038
 1128TIP3   OH2 9692  -2.694  -1.810  -4.216
 1128TIP3    H1 9693  -2.660  -1.731  -4.261
 1128TIP3    H2 9694  -2.642  -1.880  -4.257
 1129TIP3   OH2 9695  -2.750  -1.700  -3.651
 1129TIP3    H1 9696  -2.754  -1.796  -3.664
 1129TIP3    H2 9697  -2.785  -1.691  -3.560
 1130TIP3   OH2 9698  -4.257  -1.451  -3.256
 1130TIP3    H1 9699  -4.220  -1.426  -3.342
 1130TIP3    H2 9700  -4.178  -1.493  -3.214
 1131TIP3   OH2 9701  -2.689  -1.499  -2.734
 1131TIP3    H1 9702  -2.628  -1.575  -2.721
 1131TIP3    H2 9703  -2.626  -1.429  -2.751
 1132TIP3   OH2 9704  -2.529  -1.693  -2.627
 1132TIP3    H1 9705  -2.607  -1.751  -2.644
 1132TIP3    H2 9706  -2.458  -1.759  -2.620
 1133TIP3   OH2 9707  -2.766  -2.145  -4.336
 1133TIP3    H1 9708  -2.699  -2.149  -4.265
 1133TIP3    H2 9709  -2.850  -2.161  -4.292
 1134TIP3   OH2 9710  -2.768  -1.947  -3.838
 1134TIP3    H1 9711  -2.739  -2.040  -3.828
 1134TIP3    H2 9712  -2.686  -1.907  -3.872
 1135TIP3   OH2 9713  -2.737  -1.887  -3.289
 1135TIP3    H1 9714  -2.640  -1.878  -3.291
 1135TIP3    H2 9715  -2.751  -1.886  -3.193
 1136TIP3   OH2 9716  -2.720  -1.820  -3.010
 1136TIP3    H1 9717  -2.805  -1.782  -2.980
 1136TIP3    H2 9718  -2.668  -1.740  -3.030
 1137TIP3   OH2 9719  -4.285  -1.959  -2.650
 1137TIP3    H1 9720  -4.195  -1.995  -2.642
 1137TIP3    H2 9721  -4.342  -2.033  -2.624
 1138TIP3   OH2 9722  -2.464  -2.403  -2.479
 1138TIP3    H1 9723  -2.424  -2.473  -2.533
 1138TIP3    H2 9724  -2.459  -2.326  -2.538
 1139TIP3   OH2 9725  -2.715  -2.219  -3.829
 1139TIP3    H1 9726  -2.692  -2.260  -3.743
 1139TIP3    H2 9727  -2.787  -2.277  -3.859
 1140TIP3   OH2 9728  -4.194  -2.099  -3.333
 1140TIP3    H1 9729  -4.161  -2.190  -3.330
 1140TIP3    H2 9730  -4.116  -2.046  -3.311
 1141TIP3   OH2 9731  -4.332  -1.840  -3.244
 1141TIP3    H1 9732  -4.293  -1.886  -3.320
 1141TIP3    H2 9733  -4.329  -1.747  -3.273
 1142TIP3   OH2 9734  -2.516  -2.201  -2.663
 1142TIP3    H1 9735  -2.603  -2.164  -2.637
 1142TIP3    H2 9736  -2.541  -2.256  -2.739
 1143TIP3   OH2 9737  -2.513  -2.181  -4.180
 1143TIP3    H1 9738  -2.485  -2.257  -4.232
 1143TIP3    H2 9739  -2.428  -2.135  -4.169
 1144TIP3   OH2 9740  -4.316  -2.226  -3.895
 1144TIP3    H1 9741  -4.401  -2.199  -3.931
 1144TIP3    H2 9742  -4.258  -2.158  -3.936
 1145TIP3   OH2 9743  -2.830  -0.687  -3.643
 1145TIP3    H1 9744  -2.776  -0.709  -3.720
 1145TIP3    H2 9745  -2.766  -0.642  -3.585
 1146TIP3   OH2 9746  -4.292  -2.332  -3.059
 1146TIP3    H1 9747  -4.359  -2.339  -2.987
 1146TIP3    H2 9748  -4.336  -2.280  -3.128
 1147TIP3   OH2 9749  -3.808  -0.910  -3.021
 1147TIP3    H1 9750  -3.830  -0.817  -3.040
 1147TIP3    H2 9751  -3.713  -0.902  -3.003
 1148TIP3   OH2 9752  -3.345  -0.788  -2.703
 1148TIP3    H1 9753  -3.344  -0.797  -2.606
 1148TIP3    H2 9754  -3.266  -0.734  -2.720
 1149TIP3   OH2 9755  -3.116  -0.642  -2.779
 1149TIP3    H1 9756  -3.049  -0.710  -2.789
 1149TIP3    H2 9757  -3.090  -0.602  -2.694
 1150TIP3   OH2 9758  -2.639  -2.376  -2.858
 1150TIP3    H1 9759  -2.721  -2.359  -2.907
 1150TIP3    H2 9760  -2.617  -2.467  -2.889
 1151TIP3   OH2 9761  -4.076  -0.560  -2.935
 1151TIP3    H1 9762  -4.137  -0.554  -3.010
 1151TIP3    H2 9763  -4.105  -0.640  -2.889
 1152TIP3   OH2 9764  -3.819  -0.635  -3.111
 1152TIP3    H1 9765  -3.901  -0.612  -3.065
 1152TIP3    H2 9766  -3.815  -0.569  -3.183
 1153TIP3   OH2 9767  -3.338  -0.640  -3.156
 1153TIP3    H1 9768  -3.379  -0.593  -3.231
 1153TIP3    H2 9769  -3.332  -0.567  -3.091
 1154TIP3   OH2 9770  -3.107  -0.772  -3.062
 1154TIP3    H1 9771  -3.192  -0.734  -3.093
 1154TIP3    H2 9772  -3.052  -0.692  -3.062
 1155TIP3   OH2 9773  -2.854  -0.598  -3.043
 1155TIP3    H1 9774  -2.858  -0.501  -3.058
 1155TIP3    H2 9775  -2.827  -0.627  -3.131
 1156TIP3   OH2 9776  -4.116  -0.726  -3.267
 1156TIP3    H1 9777  -4.132  -0.783  -3.188
 1156TIP3    H2 9778  -4.049  -0.780  -3.314
 1157TIP3   OH2 9779  -3.909  -0.862  -3.426
 1157TIP3    H1 9780  -3.927  -0.953  -3.394
 1157TIP3    H2 9781  -3.821  -0.846  -3.387
 1158TIP3   OH2 9782  -3.627  -0.816  -3.339
 1158TIP3    H1 9783  -3.615  -0.910  -3.360
 1158TIP3    H2 9784  -3.625  -0.820  -3.242
 1159TIP3   OH2 9785  -3.295  -2.226  -3.439
 1159TIP3    H1 9786  -3.351  -2.291  -3.394
 1159TIP3    H2 9787  -3.219  -2.280  -3.468
 1160TIP3   OH2 9788  -2.802  -2.421  -3.362
 1160TIP3    H1 9789  -2.722  -2.386  -3.404
 1160TIP3    H2 9790  -2.874  -2.381  -3.413
 1161TIP3   OH2 9791  -2.596  -2.305  -3.577
 1161TIP3    H1 9792  -2.527  -2.357  -3.621
 1161TIP3    H2 9793  -2.554  -2.217  -3.570
 1162TIP3   OH2 9794  -4.101  -2.368  -3.661
 1162TIP3    H1 9795  -4.180  -2.394  -3.710
 1162TIP3    H2 9796  -4.047  -2.449  -3.665
 1163TIP3   OH2 9797  -4.177  -2.400  -4.081
 1163TIP3    H1 9798  -4.134  -2.330  -4.134
 1163TIP3    H2 9799  -4.230  -2.346  -4.019
 1164TIP3   OH2 9800  -3.047  -2.368  -3.520
 1164TIP3    H1 9801  -3.042  -2.368  -3.618
 1164TIP3    H2 9802  -3.074  -2.458  -3.498
 1165TIP3   OH2 9803  -2.943  -2.365  -3.925
 1165TIP3    H1 9804  -3.023  -2.313  -3.945
 1165TIP3    H2 9805  -2.974  -2.456  -3.933
 1166TIP3   OH2 9806  -4.178  -0.804  -3.992
 1166TIP3    H1 9807  -4.266  -0.825  -4.027
 1166TIP3    H2 9808  -4.186  -0.711  -3.971
 1167TIP3   OH2 9809  -4.001  -2.219  -4.233
 1167TIP3    H1 9810  -3.950  -2.290  -4.274
 1167TIP3    H2 9811  -3.939  -2.184  -4.167
 1168TIP3   OH2 9812  -3.298  -0.646  -4.146
 1168TIP3    H1 9813  -3.200  -0.634  -4.150
 1168TIP3    H2 9814  -3.308  -0.708  -4.221
 1169TIP3   OH2 9815  -2.633  -0.727  -3.885
 1169TIP3    H1 9816  -2.666  -0.810  -3.927
 1169TIP3    H2 9817  -2.658  -0.660  -3.952
 1170TIP3   OH2 9818  -4.079  -2.330  -2.703
 1170TIP3    H1 9819  -4.124  -2.405  -2.662
 1170TIP3    H2 9820  -3.988  -2.345  -2.672
 1171TIP3   OH2 9821  -3.845  -2.392  -2.527
 1171TIP3    H1 9822  -3.762  -2.426  -2.566
 1171TIP3    H2 9823  -3.878  -2.472  -2.482
 1172TIP3   OH2 9824  -3.980  -0.703  -4.245
 1172TIP3    H1 9825  -4.020  -0.679  -4.160
 1172TIP3    H2 9826  -3.918  -0.772  -4.220
 1173TIP3   OH2 9827  -3.031  -2.460  -2.509
 1173TIP3    H1 9828  -3.029  -2.507  -2.423
 1173TIP3    H2 9829  -2.937  -2.464  -2.535
 1174TIP3   OH2 9830  -2.693  -0.849  -2.649
 1174TIP3    H1 9831  -2.778  -0.859  -2.692
 1174TIP3    H2 9832  -2.699  -0.755  -2.619
 1175TIP3   OH2 9833  -1.274  -1.482  -3.628
 1175TIP3    H1 9834  -1.276  -1.386  -3.614
 1175TIP3    H2 9835  -1.352  -1.495  -3.684
 1176TIP3   OH2 9836  -1.390  -1.537  -3.320
 1176TIP3    H1 9837  -1.390  -1.592  -3.240
 1176TIP3    H2 9838  -1.417  -1.600  -3.388
 1177TIP3   OH2 9839  -2.142  -1.578  -3.152
 1177TIP3    H1 9840  -2.143  -1.654  -3.091
 1177TIP3    H2 9841  -2.071  -1.525  -3.114
 1178TIP3   OH2 9842  -1.022  -1.262  -3.488
 1178TIP3    H1 9843  -1.058  -1.334  -3.435
 1178TIP3    H2 9844  -0.993  -1.201  -3.419
 1179TIP3   OH2 9845  -2.077  -1.114  -3.305
 1179TIP3    H1 9846  -2.100  -1.206  -3.329
 1179TIP3    H2 9847  -1.984  -1.126  -3.279
 1180TIP3   OH2 9848  -2.376  -1.774  -3.763
 1180TIP3    H1 9849  -2.417  -1.686  -3.753
 1180TIP3    H2 9850  -2.446  -1.823  -3.808
 1181TIP3   OH2 9851  -2.297  -1.529  -3.579
 1181TIP3    H1 9852  -2.282  -1.612  -3.530
 1181TIP3    H2 9853  -2.212  -1.518  -3.625
 1182TIP3   OH2 9854  -1.315  -0.726  -3.432
 1182TIP3    H1 9855  -1.257  -0.799  -3.463
 1182TIP3    H2 9856  -1.343  -0.758  -3.345
 1183TIP3   OH2 9857  -1.541  -1.286  -3.264
 1183TIP3    H1 9858  -1.508  -1.359  -3.319
 1183TIP3    H2 9859  -1.460  -1.270  -3.211
 1184TIP3   OH2 9860  -0.674  -2.135  -3.199
 1184TIP3    H1 9861  -0.650  -2.073  -3.128
 1184TIP3    H2 9862  -0.613  -2.105  -3.270
 1185TIP3   OH2 9863  -1.210  -1.852  -3.213
 1185TIP3    H1 9864  -1.197  -1.948  -3.206
 1185TIP3    H2 9865  -1.220  -1.841  -3.309
 1186TIP3   OH2 9866  -1.914  -2.052  -3.505
 1186TIP3    H1 9867  -1.899  -1.967  -3.550
 1186TIP3    H2 9868  -1.949  -2.105  -3.579
 1187TIP3   OH2 9869  -1.130  -2.036  -3.674
 1187TIP3    H1 9870  -1.073  -2.080  -3.608
 1187TIP3    H2 9871  -1.064  -1.992  -3.730
 1188TIP3   OH2 9872  -2.244  -1.778  -3.454
 1188TIP3    H1 9873  -2.181  -1.826  -3.397
 1188TIP3    H2 9874  -2.236  -1.828  -3.537
 1189TIP3   OH2 9875  -1.706  -1.640  -3.509
 1189TIP3    H1 9876  -1.636  -1.694  -3.469
 1189TIP3    H2 9877  -1.757  -1.707  -3.559
 1190TIP3   OH2 9878  -0.601  -1.997  -2.951
 1190TIP3    H1 9879  -0.660  -1.925  -2.980
 1190TIP3    H2 9880  -0.620  -1.998  -2.856
 1191TIP3   OH2 9881  -2.033  -2.172  -3.089
 1191TIP3    H1 9882  -2.075  -2.122  -3.161
 1191TIP3    H2 9883  -2.098  -2.161  -3.018
 1192TIP3   OH2 9884  -1.281  -1.194  -3.752
 1192TIP3    H1 9885  -1.320  -1.221  -3.835
 1192TIP3    H2 9886  -1.329  -1.111  -3.732
 1193TIP3   OH2 9887  -1.740  -1.384  -3.077
 1193TIP3    H1 9888  -1.814  -1.325  -3.051
 1193TIP3    H2 9889  -1.678  -1.322  -3.119
 1194TIP3   OH2 9890  -0.945  -2.110  -3.470
 1194TIP3    H1 9891  -0.987  -2.169  -3.405
 1194TIP3    H2 9892  -0.894  -2.050  -3.413
 1195TIP3   OH2 9893  -2.074  -1.967  -3.296
 1195TIP3    H1 9894  -2.009  -1.911  -3.248
 1195TIP3    H2 9895  -2.016  -2.004  -3.365
 1196TIP3   OH2 9896  -1.943  -1.197  -3.006
 1196TIP3    H1 9897  -1.945  -1.104  -3.033
 1196TIP3    H2 9898  -2.028  -1.204  -2.959
 1197TIP3   OH2 9899  -2.312  -1.226  -3.919
 1197TIP3    H1 9900  -2.330  -1.182  -4.003
 1197TIP3    H2 9901  -2.295  -1.152  -3.857
 1198TIP3   OH2 9902  -0.966  -1.083  -3.240
 1198TIP3    H1 9903  -1.063  -1.070  -3.236
 1198TIP3    H2 9904  -0.938  -0.996  -3.275
 1199TIP3   OH2 9905  -0.933  -2.195  -3.085
 1199TIP3    H1 9906  -1.010  -2.156  -3.130
 1199TIP3    H2 9907  -0.860  -2.176  -3.148
 1200TIP3   OH2 9908  -1.619  -2.423  -3.380
 1200TIP3    H1 9909  -1.642  -2.518  -3.385
 1200TIP3    H2 9910  -1.702  -2.385  -3.343
 1201TIP3   OH2 9911  -1.136  -0.887  -3.583
 1201TIP3    H1 9912  -1.088  -0.967  -3.612
 1201TIP3    H2 9913  -1.067  -0.819  -3.592
 1202TIP3   OH2 9914  -0.989  -1.101  -3.722
 1202TIP3    H1 9915  -1.044  -1.148  -3.786
 1202TIP3    H2 9916  -0.994  -1.163  -3.646
 1203TIP3   OH2 9917  -0.835  -1.219  -2.870
 1203TIP3    H1 9918  -0.846  -1.284  -2.943
 1203TIP3    H2 9919  -0.824  -1.136  -2.920
 1204TIP3   OH2 9920  -1.406  -1.531  -3.905
 1204TIP3    H1 9921  -1.473  -1.470  -3.940
 1204TIP3    H2 9922  -1.334  -1.523  -3.970
 1205TIP3   OH2 9923  -1.389  -1.706  -4.207
 1205TIP3    H1 9924  -1.321  -1.676  -4.144
 1205TIP3    H2 9925  -1.335  -1.767  -4.262
 1206TIP3   OH2 9926  -0.660  -1.602  -3.076
 1206TIP3    H1 9927  -0.732  -1.537  -3.068
 1206TIP3    H2 9928  -0.612  -1.567  -3.154
 1207TIP3   OH2 9929  -1.058  -1.529  -3.795
 1207TIP3    H1 9930  -1.127  -1.509  -3.727
 1207TIP3    H2 9931  -0.999  -1.586  -3.742
 1208TIP3   OH2 9932  -1.075  -1.675  -2.909
 1208TIP3    H1 9933  -1.069  -1.593  -2.858
 1208TIP3    H2 9934  -1.140  -1.646  -2.976
 1209TIP3   OH2 9935  -1.899  -1.452  -3.616
 1209TIP3    H1 9936  -1.929  -1.496  -3.698
 1209TIP3    H2 9937  -1.834  -1.516  -3.582
 1210TIP3   OH2 9938  -1.762  -1.110  -3.343
 1210TIP3    H1 9939  -1.773  -1.152  -3.429
 1210TIP3    H2 9940  -1.683  -1.157  -3.308
 1211TIP3   OH2 9941  -1.841  -1.570  -3.267
 1211TIP3    H1 9942  -1.782  -1.567  -3.345
 1211TIP3    H2 9943  -1.800  -1.504  -3.208
 1212TIP3   OH2 9944  -1.245  -1.020  -3.210
 1212TIP3    H1 9945  -1.244  -0.952  -3.139
 1212TIP3    H2 9946  -1.268  -1.101  -3.162
 1213TIP3   OH2 9947  -1.756  -1.139  -2.784
 1213TIP3    H1 9948  -1.806  -1.073  -2.733
 1213TIP3    H2 9949  -1.821  -1.165  -2.852
 1214TIP3   OH2 9950  -1.151  -1.582  -4.057
 1214TIP3    H1 9951  -1.109  -1.557  -3.972
 1214TIP3    H2 9952  -1.089  -1.541  -4.121
 1215TIP3   OH2 9953  -2.063  -1.496  -2.873
 1215TIP3    H1 9954  -2.058  -1.442  -2.792
 1215TIP3    H2 9955  -2.159  -1.514  -2.878
 1216TIP3   OH2 9956  -1.418  -0.923  -3.696
 1216TIP3    H1 9957  -1.368  -0.898  -3.617
 1216TIP3    H2 9958  -1.465  -0.842  -3.718
 1217TIP3   OH2 9959  -1.945  -0.922  -2.702
 1217TIP3    H1 9960  -1.958  -0.917  -2.798
 1217TIP3    H2 9961  -2.033  -0.947  -2.669
 1218TIP3   OH2 9962  -0.811  -2.416  -4.057
 1218TIP3    H1 9963  -0.908  -2.408  -4.047
 1218TIP3    H2 9964  -0.790  -2.336  -4.107
 1219TIP3   OH2 9965  -2.006  -1.577  -3.862
 1219TIP3    H1 9966  -2.030  -1.502  -3.920
 1219TIP3    H2 9967  -2.072  -1.643  -3.888
 1220TIP3   OH2 9968  -0.701  -0.982  -4.256
 1220TIP3    H1 9969  -0.672  -0.906  -4.203
 1220TIP3    H2 9970  -0.630  -1.048  -4.239
 1221TIP3   OH2 9971  -2.405  -1.311  -2.991
 1221TIP3    H1 9972  -2.442  -1.314  -3.081
 1221TIP3    H2 9973  -2.385  -1.406  -2.974
 1222TIP3   OH2 9974  -2.395  -1.019  -3.295
 1222TIP3    H1 9975  -2.302  -1.047  -3.293
 1222TIP3    H2 9976  -2.396  -0.952  -3.224
 1223TIP3   OH2 9977  -0.557  -0.955  -2.721
 1223TIP3    H1 9978  -0.567  -1.050  -2.739
 1223TIP3    H2 9979  -0.648  -0.932  -2.691
 1224TIP3   OH2 9980  -1.492  -1.033  -2.841
 1224TIP3    H1 9981  -1.484  -0.952  -2.787
 1224TIP3    H2 9982  -1.582  -1.064  -2.816
 1225TIP3   OH2 9983  -1.461  -0.654  -3.847
 1225TIP3    H1 9984  -1.462  -0.642  -3.944
 1225TIP3    H2 9985  -1.457  -0.562  -3.814
 1226TIP3   OH2 9986  -2.083  -0.741  -3.681
 1226TIP3    H1 9987  -2.066  -0.783  -3.594
 1226TIP3    H2 9988  -2.170  -0.779  -3.702
 1227TIP3   OH2 9989  -1.138  -0.691  -4.133
 1227TIP3    H1 9990  -1.094  -0.752  -4.196
 1227TIP3    H2 9991  -1.138  -0.744  -4.051
 1228TIP3   OH2 9992  -1.190  -0.766  -3.862
 1228TIP3    H1 9993  -1.283  -0.749  -3.840
 1228TIP3    H2 9994  -1.168  -0.834  -3.796
 1229TIP3   OH2 9995  -0.878  -1.821  -2.677
 1229TIP3    H1 9996  -0.930  -1.781  -2.749
 1229TIP3    H2 9997  -0.874  -1.914  -2.706
 1230TIP3   OH2 9998  -2.184  -1.155  -2.863
 1230TIP3    H1 9999  -2.154  -1.202  -2.782
 1230TIP3    H210000  -2.254  -1.214  -2.898
 1231TIP3   OH210001  -1.862  -2.308  -3.289
 1231TIP3    H110002  -1.944  -2.315  -3.341
 1231TIP3    H210003  -1.886  -2.236  -3.229
 1232TIP3   OH210004  -1.425  -2.351  -2.925
 1232TIP3    H110005  -1.373  -2.403  -2.861
 1232TIP3    H210006  -1.516  -2.384  -2.912
 1233TIP3   OH210007  -1.108  -1.971  -2.872
 1233TIP3    H110008  -1.170  -1.987  -2.798
 1233TIP3    H210009  -1.116  -1.875  -2.887
 1234TIP3   OH210010  -0.929  -1.503  -4.250
 1234TIP3    H110011  -0.976  -1.520  -4.333
 1234TIP3    H210012  -0.896  -1.414  -4.268
 1235TIP3   OH210013  -1.442  -2.112  -4.216
 1235TIP3    H110014  -1.497  -2.109  -4.137
 1235TIP3    H210015  -1.488  -2.181  -4.266
 1236TIP3   OH210016  -1.877  -1.830  -3.150
 1236TIP3    H110017  -1.931  -1.818  -3.070
 1236TIP3    H210018  -1.869  -1.738  -3.184
 1237TIP3   OH210019  -1.882  -1.821  -3.661
 1237TIP3    H110020  -1.977  -1.833  -3.677
 1237TIP3    H210021  -1.847  -1.842  -3.750
 1238TIP3   OH210022  -1.314  -1.768  -3.785
 1238TIP3    H110023  -1.355  -1.685  -3.818
 1238TIP3    H210024  -1.250  -1.788  -3.856
 1239TIP3   OH210025  -1.402  -1.745  -2.647
 1239TIP3    H110026  -1.453  -1.821  -2.611
 1239TIP3    H210027  -1.315  -1.759  -2.606
 1240TIP3   OH210028  -1.235  -1.827  -3.505
 1240TIP3    H110029  -1.263  -1.769  -3.580
 1240TIP3    H210030  -1.214  -1.908  -3.556
 1241TIP3   OH210031  -2.145  -1.811  -2.963
 1241TIP3    H110032  -2.111  -1.785  -2.877
 1241TIP3    H210033  -2.177  -1.902  -2.944
 1242TIP3   OH210034  -1.764  -2.066  -4.311
 1242TIP3    H110035  -1.801  -2.100  -4.227
 1242TIP3    H210036  -1.843  -2.021  -4.348
 1243TIP3   OH210037  -2.456  -2.064  -3.601
 1243TIP3    H110038  -2.395  -2.069  -3.525
 1243TIP3    H210039  -2.406  -2.105  -3.673
 1244TIP3   OH210040  -2.301  -2.023  -4.038
 1244TIP3    H110041  -2.243  -1.978  -4.101
 1244TIP3    H210042  -2.366  -1.954  -4.018
 1245TIP3   OH210043  -1.326  -1.658  -3.059
 1245TIP3    H110044  -1.282  -1.731  -3.109
 1245TIP3    H210045  -1.359  -1.706  -2.981
 1246TIP3   OH210046  -1.604  -2.063  -3.557
 1246TIP3    H110047  -1.699  -2.068  -3.535
 1246TIP3    H210048  -1.563  -2.083  -3.471
 1247TIP3   OH210049  -2.147  -1.941  -3.690
 1247TIP3    H110050  -2.229  -1.915  -3.736
 1247TIP3    H210051  -2.118  -2.020  -3.738
 1248TIP3   OH210052  -1.787  -1.899  -3.920
 1248TIP3    H110053  -1.690  -1.898  -3.916
 1248TIP3    H210054  -1.809  -1.843  -3.997
 1249TIP3   OH210055  -1.166  -2.149  -3.256
 1249TIP3    H110056  -1.230  -2.148  -3.181
 1249TIP3    H210057  -1.224  -2.183  -3.326
 1250TIP3   OH210058  -1.930  -1.784  -4.160
 1250TIP3    H110059  -1.990  -1.839  -4.213
 1250TIP3    H210060  -1.854  -1.774  -4.218
 1251TIP3   OH210061  -0.866  -0.572  -2.590
 1251TIP3    H110062  -0.842  -0.525  -2.671
 1251TIP3    H210063  -0.800  -0.538  -2.527
 1252TIP3   OH210064  -2.075  -1.310  -2.647
 1252TIP3    H110065  -2.008  -1.302  -2.576
 1252TIP3    H210066  -2.156  -1.309  -2.593
 1253TIP3   OH210067  -1.503  -1.808  -3.375
 1253TIP3    H110068  -1.430  -1.852  -3.420
 1253TIP3    H210069  -1.520  -1.869  -3.300
 1254TIP3   OH210070  -1.972  -2.167  -3.762
 1254TIP3    H110071  -2.027  -2.245  -3.748
 1254TIP3    H210072  -1.890  -2.206  -3.796
 1255TIP3   OH210073  -1.605  -1.962  -3.151
 1255TIP3    H110074  -1.684  -1.905  -3.149
 1255TIP3    H210075  -1.558  -1.938  -3.069
 1256TIP3   OH210076  -1.591  -1.324  -3.961
 1256TIP3    H110077  -1.668  -1.374  -3.995
 1256TIP3    H210078  -1.611  -1.319  -3.864
 1257TIP3   OH210079  -0.869  -1.408  -3.087
 1257TIP3    H110080  -0.820  -1.353  -3.152
 1257TIP3    H210081  -0.955  -1.419  -3.132
 1258TIP3   OH210082  -1.175  -2.047  -4.183
 1258TIP3    H110083  -1.273  -2.051  -4.186
 1258TIP3    H210084  -1.156  -1.971  -4.125
 1259TIP3   OH210085  -1.429  -1.323  -2.829
 1259TIP3    H110086  -1.457  -1.355  -2.742
 1259TIP3    H210087  -1.458  -1.231  -2.828
 1260TIP3   OH210088  -1.115  -1.861  -3.988
 1260TIP3    H110089  -1.029  -1.880  -3.945
 1260TIP3    H210090  -1.100  -1.775  -4.029
 1261TIP3   OH210091  -2.079  -1.385  -3.378
 1261TIP3    H110092  -2.022  -1.396  -3.457
 1261TIP3    H210093  -2.067  -1.471  -3.333
 1262TIP3   OH210094  -1.348  -1.189  -4.072
 1262TIP3    H110095  -1.376  -1.102  -4.038
 1262TIP3    H210096  -1.423  -1.244  -4.042
 1263TIP3   OH210097  -2.356  -1.557  -2.853
 1263TIP3    H110098  -2.338  -1.600  -2.767
 1263TIP3    H210099  -2.415  -1.622  -2.896
 1264TIP3   OH210100  -1.655  -1.606  -2.655
 1264TIP3    H110101  -1.688  -1.632  -2.742
 1264TIP3    H210102  -1.562  -1.635  -2.661
 1265TIP3   OH210103  -1.202  -1.064  -2.882
 1265TIP3    H110104  -1.298  -1.055  -2.887
 1265TIP3    H210105  -1.185  -1.039  -2.789
 1266TIP3   OH210106  -0.644  -1.851  -3.999
 1266TIP3    H110107  -0.707  -1.872  -4.071
 1266TIP3    H210108  -0.632  -1.757  -4.017
 1267TIP3   OH210109  -0.603  -1.255  -2.723
 1267TIP3    H110110  -0.697  -1.233  -2.742
 1267TIP3    H210111  -0.569  -1.272  -2.813
 1268TIP3   OH210112  -0.821  -0.996  -3.993
 1268TIP3    H110113  -0.852  -1.069  -3.938
 1268TIP3    H210114  -0.786  -1.042  -4.071
 1269TIP3   OH210115  -1.104  -1.464  -3.257
 1269TIP3    H110116  -1.197  -1.480  -3.280
 1269TIP3    H210117  -1.060  -1.537  -3.306
 1270TIP3   OH210118  -1.840  -1.057  -3.655
 1270TIP3    H110119  -1.798  -0.970  -3.664
 1270TIP3    H210120  -1.933  -1.037  -3.674
 1271TIP3   OH210121  -2.234  -1.565  -4.200
 1271TIP3    H110122  -2.178  -1.501  -4.152
 1271TIP3    H210123  -2.323  -1.544  -4.167
 1272TIP3   OH210124  -1.657  -1.287  -3.692
 1272TIP3    H110125  -1.689  -1.196  -3.676
 1272TIP3    H210126  -1.726  -1.338  -3.647
 1273TIP3   OH210127  -1.641  -0.862  -3.055
 1273TIP3    H110128  -1.585  -0.786  -3.082
 1273TIP3    H210129  -1.580  -0.911  -2.998
 1274TIP3   OH210130  -1.796  -0.766  -3.735
 1274TIP3    H110131  -1.892  -0.753  -3.724
 1274TIP3    H210132  -1.761  -0.679  -3.708
 1275TIP3   OH210133  -1.301  -1.287  -3.098
 1275TIP3    H110134  -1.329  -1.314  -3.009
 1275TIP3    H210135  -1.226  -1.347  -3.115
 1276TIP3   OH210136  -1.082  -1.152  -4.194
 1276TIP3    H110137  -1.035  -1.200  -4.123
 1276TIP3    H210138  -1.173  -1.165  -4.163
 1277TIP3   OH210139  -1.005  -0.831  -2.860
 1277TIP3    H110140  -1.081  -0.875  -2.900
 1277TIP3    H210141  -0.996  -0.750  -2.914
 1278TIP3   OH210142  -0.595  -0.712  -4.161
 1278TIP3    H110143  -0.524  -0.646  -4.146
 1278TIP3    H210144  -0.674  -0.660  -4.135
 1279TIP3   OH210145  -2.220  -2.093  -2.892
 1279TIP3    H110146  -2.312  -2.067  -2.914
 1279TIP3    H210147  -2.234  -2.178  -2.847
 1280TIP3   OH210148  -0.985  -1.297  -3.970
 1280TIP3    H110149  -1.013  -1.367  -3.908
 1280TIP3    H210150  -0.888  -1.301  -3.959
 1281TIP3   OH210151  -2.247  -0.918  -3.049
 1281TIP3    H110152  -2.213  -1.007  -3.032
 1281TIP3    H210153  -2.224  -0.873  -2.966
 1282TIP3   OH210154  -1.634  -1.054  -4.325
 1282TIP3    H110155  -1.598  -1.139  -4.355
 1282TIP3    H210156  -1.690  -1.083  -4.251
 1283TIP3   OH210157  -1.781  -1.099  -4.074
 1283TIP3    H110158  -1.728  -1.153  -4.014
 1283TIP3    H210159  -1.758  -1.007  -4.047
 1284TIP3   OH210160  -2.094  -1.362  -4.038
 1284TIP3    H110161  -2.168  -1.321  -3.988
 1284TIP3    H210162  -2.045  -1.284  -4.067
 1285TIP3   OH210163  -1.323  -2.109  -3.036
 1285TIP3    H110164  -1.262  -2.082  -2.965
 1285TIP3    H210165  -1.373  -2.182  -2.995
 1286TIP3   OH210166  -1.265  -2.152  -3.921
 1286TIP3    H110167  -1.233  -2.104  -3.998
 1286TIP3    H210168  -1.213  -2.114  -3.849
 1287TIP3   OH210169  -1.484  -0.940  -4.029
 1287TIP3    H110170  -1.561  -0.889  -4.001
 1287TIP3    H210171  -1.432  -0.873  -4.074
 1288TIP3   OH210172  -1.521  -1.961  -3.815
 1288TIP3    H110173  -1.441  -1.906  -3.800
 1288TIP3    H210174  -1.549  -1.980  -3.724
 1289TIP3   OH210175  -1.481  -1.874  -2.900
 1289TIP3    H110176  -1.478  -1.822  -2.818
 1289TIP3    H210177  -1.429  -1.951  -2.876
 1290TIP3   OH210178  -1.456  -2.261  -3.723
 1290TIP3    H110179  -1.477  -2.192  -3.657
 1290TIP3    H210180  -1.386  -2.217  -3.775
 1291TIP3   OH210181  -1.763  -0.821  -4.025
 1291TIP3    H110182  -1.759  -0.735  -4.072
 1291TIP3    H210183  -1.777  -0.793  -3.932
 1292TIP3   OH210184  -1.886  -2.152  -4.081
 1292TIP3    H110185  -1.890  -2.084  -4.012
 1292TIP3    H210186  -1.814  -2.210  -4.048
 1293TIP3   OH210187  -0.855  -2.073  -2.810
 1293TIP3    H110188  -0.951  -2.060  -2.825
 1293TIP3    H210189  -0.829  -2.095  -2.900
 1294TIP3   OH210190  -1.004  -1.689  -3.409
 1294TIP3    H110191  -1.086  -1.734  -3.435
 1294TIP3    H210192  -0.956  -1.760  -3.361
 1295TIP3   OH210193  -2.052  -1.064  -4.158
 1295TIP3    H110194  -1.970  -1.038  -4.113
 1295TIP3    H210195  -2.015  -1.117  -4.230
 1296TIP3   OH210196  -2.226  -1.847  -4.256
 1296TIP3    H110197  -2.214  -1.752  -4.239
 1296TIP3    H210198  -2.317  -1.850  -4.289
 1297TIP3   OH210199  -0.902  -0.805  -3.272
 1297TIP3    H110200  -0.918  -0.721  -3.319
 1297TIP3    H210201  -0.810  -0.791  -3.243
 1298TIP3   OH210202  -2.141  -2.352  -3.371
 1298TIP3    H110203  -2.158  -2.355  -3.467
 1298TIP3    H210204  -2.174  -2.439  -3.340
 1299TIP3   OH210205  -2.254  -1.002  -3.748
 1299TIP3    H110206  -2.331  -0.949  -3.724
 1299TIP3    H210207  -2.213  -0.950  -3.818
 1300TIP3   OH210208  -2.305  -0.714  -2.635
 1300TIP3    H110209  -2.254  -0.736  -2.555
 1300TIP3    H210210  -2.347  -0.799  -2.658
 1301TIP3   OH210211  -1.840  -0.804  -2.448
 1301TIP3    H110212  -1.772  -0.870  -2.427
 1301TIP3    H210213  -1.863  -0.831  -2.539
 1302TIP3   OH210214  -1.419  -0.871  -4.333
 1302TIP3    H110215  -1.501  -0.925  -4.325
 1302TIP3    H210216  -1.355  -0.941  -4.352
 1303TIP3   OH210217  -1.193  -0.981  -2.594
 1303TIP3    H110218  -1.234  -1.060  -2.555
 1303TIP3    H210219  -1.126  -0.956  -2.527
 1304TIP3   OH210220  -1.023  -0.886  -4.288
 1304TIP3    H110221  -1.024  -0.975  -4.248
 1304TIP3    H210222  -0.936  -0.885  -4.328
 1305TIP3   OH210223  -2.329  -1.342  -2.536
 1305TIP3    H110224  -2.318  -1.435  -2.560
 1305TIP3    H210225  -2.405  -1.316  -2.591
 1306TIP3   OH210226  -1.888  -1.288  -4.306
 1306TIP3    H110227  -1.878  -1.361  -4.243
 1306TIP3    H210228  -1.823  -1.311  -4.374
 1307TIP3   OH210229  -1.651  -1.330  -2.583
 1307TIP3    H110230  -1.683  -1.297  -2.668
 1307TIP3    H210231  -1.645  -1.427  -2.597
 1308TIP3   OH210232  -1.357  -1.188  -4.348
 1308TIP3    H110233  -1.346  -1.180  -4.251
 1308TIP3    H210234  -1.296  -1.260  -4.371
 1309TIP3   OH210235  -1.116  -1.369  -2.844
 1309TIP3    H110236  -1.038  -1.314  -2.862
 1309TIP3    H210237  -1.186  -1.301  -2.844
 1310TIP3   OH210238  -2.231  -1.631  -2.601
 1310TIP3    H110239  -2.159  -1.697  -2.600
 1310TIP3    H210240  -2.235  -1.609  -2.506
 1311TIP3   OH210241  -1.786  -1.499  -4.089
 1311TIP3    H110242  -1.848  -1.546  -4.030
 1311TIP3    H210243  -1.752  -1.572  -4.144
 1312TIP3   OH210244  -1.866  -1.724  -2.860
 1312TIP3    H110245  -1.916  -1.645  -2.834
 1312TIP3    H210246  -1.798  -1.686  -2.918
 1313TIP3   OH210247  -1.668  -1.685  -4.277
 1313TIP3    H110248  -1.662  -1.716  -4.369
 1313TIP3    H210249  -1.573  -1.690  -4.251
 1314TIP3   OH210250  -1.333  -1.452  -2.501
 1314TIP3    H110251  -1.243  -1.472  -2.531
 1314TIP3    H210252  -1.359  -1.536  -2.461
 1315TIP3   OH210253  -1.803  -1.992  -2.742
 1315TIP3    H110254  -1.798  -2.059  -2.812
 1315TIP3    H210255  -1.826  -1.912  -2.793
 1316TIP3   OH210256  -1.771  -2.147  -2.997
 1316TIP3    H110257  -1.720  -2.095  -3.062
 1316TIP3    H210258  -1.862  -2.144  -3.033
 1317TIP3   OH210259  -1.618  -1.602  -2.957
 1317TIP3    H110260  -1.533  -1.611  -3.004
 1317TIP3    H210261  -1.647  -1.514  -2.987
 1318TIP3   OH210262  -1.159  -1.808  -2.479
 1318TIP3    H110263  -1.137  -1.901  -2.464
 1318TIP3    H210264  -1.071  -1.768  -2.486
 1319TIP3   OH210265  -1.061  -1.529  -2.628
 1319TIP3    H110266  -1.096  -1.468  -2.697
 1319TIP3    H210267  -0.972  -1.545  -2.665
 1320TIP3   OH210268  -1.985  -1.807  -2.565
 1320TIP3    H110269  -2.039  -1.888  -2.561
 1320TIP3    H210270  -1.903  -1.840  -2.606
 1321TIP3   OH210271  -1.699  -2.414  -2.962
 1321TIP3    H110272  -1.717  -2.319  -2.977
 1321TIP3    H210273  -1.769  -2.456  -3.015
 1322TIP3   OH210274  -1.573  -1.957  -2.582
 1322TIP3    H110275  -1.610  -1.979  -2.494
 1322TIP3    H210276  -1.652  -1.976  -2.637
 1323TIP3   OH210277  -1.319  -2.052  -2.696
 1323TIP3    H110278  -1.408  -2.047  -2.656
 1323TIP3    H210279  -1.274  -2.115  -2.637
 1324TIP3   OH210280  -1.130  -2.204  -2.520
 1324TIP3    H110281  -1.151  -2.298  -2.506
 1324TIP3    H210282  -1.154  -2.162  -2.435
 1325TIP3   OH210283  -2.117  -2.063  -2.579
 1325TIP3    H110284  -2.126  -2.135  -2.644
 1325TIP3    H210285  -2.139  -2.109  -2.496
 1326TIP3   OH210286  -1.714  -2.464  -2.680
 1326TIP3    H110287  -1.657  -2.542  -2.674
 1326TIP3    H210288  -1.718  -2.450  -2.776
 1327TIP3   OH210289  -1.619  -2.276  -2.497
 1327TIP3    H110290  -1.651  -2.337  -2.566
 1327TIP3    H210291  -1.691  -2.211  -2.491
 1328TIP3   OH210292  -1.708  -0.574  -4.173
 1328TIP3    H110293  -1.613  -0.559  -4.161
 1328TIP3    H210294  -1.732  -0.512  -4.243
 1329TIP3   OH210295  -2.324  -1.168  -4.197
 1329TIP3    H110296  -2.234  -1.131  -4.197
 1329TIP3    H210297  -2.325  -1.222  -4.277
 1330TIP3   OH210298  -2.417  -0.618  -3.722
 1330TIP3    H110299  -2.492  -0.651  -3.775
 1330TIP3    H210300  -2.414  -0.683  -3.649
 1331TIP3   OH210301  -2.383  -0.814  -3.521
 1331TIP3    H110302  -2.413  -0.900  -3.489
 1331TIP3    H210303  -2.352  -0.776  -3.437
 1332TIP3   OH210304  -0.630  -0.685  -3.220
 1332TIP3    H110305  -0.615  -0.688  -3.124
 1332TIP3    H210306  -0.543  -0.658  -3.251
 1333TIP3   OH210307  -0.641  -0.742  -2.932
 1333TIP3    H110308  -0.692  -0.818  -2.967
 1333TIP3    H210309  -0.584  -0.788  -2.868
 1334TIP3   OH210310  -0.840  -1.198  -2.502
 1334TIP3    H110311  -0.928  -1.190  -2.462
 1334TIP3    H210312  -0.794  -1.118  -2.469
 1335TIP3   OH210313  -0.700  -1.315  -3.930
 1335TIP3    H110314  -0.610  -1.281  -3.916
 1335TIP3    H210315  -0.706  -1.379  -3.857
 1336TIP3   OH210316  -0.655  -1.514  -3.732
 1336TIP3    H110317  -0.722  -1.571  -3.688
 1336TIP3    H210318  -0.586  -1.502  -3.664
 1337TIP3   OH210319  -0.682  -1.263  -3.234
 1337TIP3    H110320  -0.619  -1.312  -3.290
 1337TIP3    H210321  -0.668  -1.172  -3.264
 1338TIP3   OH210322  -0.810  -0.971  -3.010
 1338TIP3    H110323  -0.883  -0.931  -2.959
 1338TIP3    H210324  -0.857  -1.008  -3.087
 1339TIP3   OH210325  -0.626  -1.548  -4.108
 1339TIP3    H110326  -0.690  -1.520  -4.175
 1339TIP3    H210327  -0.645  -1.483  -4.038
 1340TIP3   OH210328  -0.807  -1.810  -4.217
 1340TIP3    H110329  -0.774  -1.736  -4.271
 1340TIP3    H210330  -0.765  -1.885  -4.260
 1341TIP3   OH210331  -0.862  -1.700  -3.651
 1341TIP3    H110332  -0.870  -1.796  -3.666
 1341TIP3    H210333  -0.900  -1.691  -3.561
 1342TIP3   OH210334  -2.376  -1.480  -3.278
 1342TIP3    H110335  -2.351  -1.475  -3.372
 1342TIP3    H210336  -2.289  -1.503  -3.238
 1343TIP3   OH210337  -0.800  -1.507  -2.737
 1343TIP3    H110338  -0.727  -1.569  -2.718
 1343TIP3    H210339  -0.754  -1.424  -2.755
 1344TIP3   OH210340  -0.645  -1.696  -2.614
 1344TIP3    H110341  -0.724  -1.750  -2.635
 1344TIP3    H210342  -0.574  -1.763  -2.616
 1345TIP3   OH210343  -0.881  -2.134  -4.340
 1345TIP3    H110344  -0.823  -2.155  -4.266
 1345TIP3    H210345  -0.969  -2.163  -4.312
 1346TIP3   OH210346  -0.882  -1.946  -3.837
 1346TIP3    H110347  -0.856  -2.041  -3.829
 1346TIP3    H210348  -0.800  -1.909  -3.872
 1347TIP3   OH210349  -0.851  -1.889  -3.289
 1347TIP3    H110350  -0.753  -1.878  -3.291
 1347TIP3    H210351  -0.866  -1.887  -3.193
 1348TIP3   OH210352  -0.835  -1.820  -3.007
 1348TIP3    H110353  -0.920  -1.781  -2.980
 1348TIP3    H210354  -0.782  -1.740  -3.027
 1349TIP3   OH210355  -2.384  -1.941  -2.642
 1349TIP3    H110356  -2.291  -1.968  -2.633
 1349TIP3    H210357  -2.429  -2.028  -2.635
 1350TIP3   OH210358  -0.579  -2.405  -2.478
 1350TIP3    H110359  -0.536  -2.473  -2.533
 1350TIP3    H210360  -0.575  -2.327  -2.536
 1351TIP3   OH210361  -0.831  -2.220  -3.827
 1351TIP3    H110362  -0.818  -2.259  -3.740
 1351TIP3    H210363  -0.903  -2.276  -3.863
 1352TIP3   OH210364  -2.309  -2.109  -3.358
 1352TIP3    H110365  -2.264  -2.195  -3.352
 1352TIP3    H210366  -2.239  -2.049  -3.325
 1353TIP3   OH210367  -2.456  -1.837  -3.255
 1353TIP3    H110368  -2.396  -1.848  -3.330
 1353TIP3    H210369  -2.416  -1.760  -3.211
 1354TIP3   OH210370  -0.642  -2.200  -2.652
 1354TIP3    H110371  -0.729  -2.157  -2.649
 1354TIP3    H210372  -0.653  -2.254  -2.733
 1355TIP3   OH210373  -0.627  -2.180  -4.177
 1355TIP3    H110374  -0.605  -2.256  -4.233
 1355TIP3    H210375  -0.542  -2.134  -4.170
 1356TIP3   OH210376  -2.404  -2.204  -3.850
 1356TIP3    H110377  -2.498  -2.204  -3.872
 1356TIP3    H210378  -2.365  -2.148  -3.919
 1357TIP3   OH210379  -0.943  -0.683  -3.642
 1357TIP3    H110380  -0.892  -0.711  -3.720
 1357TIP3    H210381  -0.875  -0.645  -3.585
 1358TIP3   OH210382  -2.400  -2.319  -3.035
 1358TIP3    H110383  -2.469  -2.348  -2.973
 1358TIP3    H210384  -2.451  -2.270  -3.100
 1359TIP3   OH210385  -2.199  -1.016  -2.566
 1359TIP3    H110386  -2.272  -1.009  -2.629
 1359TIP3    H210387  -2.243  -1.011  -2.480
 1360TIP3   OH210388  -1.918  -0.914  -3.001
 1360TIP3    H110389  -1.947  -0.827  -3.034
 1360TIP3    H210390  -1.821  -0.904  -3.017
 1361TIP3   OH210391  -1.465  -0.783  -2.699
 1361TIP3    H110392  -1.453  -0.798  -2.604
 1361TIP3    H210393  -1.383  -0.737  -2.723
 1362TIP3   OH210394  -1.236  -0.636  -2.774
 1362TIP3    H110395  -1.168  -0.702  -2.795
 1362TIP3    H210396  -1.207  -0.605  -2.687
 1363TIP3   OH210397  -0.754  -2.376  -2.855
 1363TIP3    H110398  -0.834  -2.356  -2.906
 1363TIP3    H210399  -0.732  -2.466  -2.888
 1364TIP3   OH210400  -2.182  -0.619  -2.967
 1364TIP3    H110401  -2.242  -0.554  -3.009
 1364TIP3    H210402  -2.209  -0.610  -2.875
 1365TIP3   OH210403  -1.931  -0.640  -3.112
 1365TIP3    H110404  -2.016  -0.621  -3.067
 1365TIP3    H210405  -1.927  -0.570  -3.179
 1366TIP3   OH210406  -1.456  -0.640  -3.156
 1366TIP3    H110407  -1.494  -0.594  -3.232
 1366TIP3    H210408  -1.448  -0.567  -3.091
 1367TIP3   OH210409  -1.222  -0.769  -3.065
 1367TIP3    H110410  -1.307  -0.732  -3.096
 1367TIP3    H210411  -1.166  -0.689  -3.063
 1368TIP3   OH210412  -0.969  -0.595  -3.044
 1368TIP3    H110413  -0.974  -0.500  -3.065
 1368TIP3    H210414  -0.941  -0.631  -3.130
 1369TIP3   OH210415  -2.221  -0.738  -3.273
 1369TIP3    H110416  -2.223  -0.784  -3.186
 1369TIP3    H210417  -2.144  -0.781  -3.315
 1370TIP3   OH210418  -2.019  -0.862  -3.430
 1370TIP3    H110419  -2.035  -0.955  -3.401
 1370TIP3    H210420  -1.928  -0.847  -3.396
 1371TIP3   OH210421  -1.744  -0.816  -3.340
 1371TIP3    H110422  -1.725  -0.910  -3.360
 1371TIP3    H210423  -1.737  -0.818  -3.243
 1372TIP3   OH210424  -1.411  -2.227  -3.409
 1372TIP3    H110425  -1.480  -2.294  -3.394
 1372TIP3    H210426  -1.352  -2.273  -3.470
 1373TIP3   OH210427  -0.916  -2.425  -3.362
 1373TIP3    H110428  -0.841  -2.380  -3.405
 1373TIP3    H210429  -0.991  -2.395  -3.417
 1374TIP3   OH210430  -0.707  -2.315  -3.575
 1374TIP3    H110431  -0.637  -2.355  -3.628
 1374TIP3    H210432  -0.677  -2.223  -3.567
 1375TIP3   OH210433  -2.176  -2.355  -3.652
 1375TIP3    H110434  -2.262  -2.369  -3.697
 1375TIP3    H210435  -2.133  -2.441  -3.668
 1376TIP3   OH210436  -2.304  -2.398  -4.084
 1376TIP3    H110437  -2.236  -2.339  -4.126
 1376TIP3    H210438  -2.328  -2.346  -4.006
 1377TIP3   OH210439  -1.729  -2.371  -3.665
 1377TIP3    H110440  -1.637  -2.343  -3.679
 1377TIP3    H210441  -1.731  -2.382  -3.570
 1378TIP3   OH210442  -1.167  -2.369  -3.523
 1378TIP3    H110443  -1.145  -2.383  -3.617
 1378TIP3    H210444  -1.208  -2.454  -3.500
 1379TIP3   OH210445  -1.066  -2.365  -3.914
 1379TIP3    H110446  -1.145  -2.319  -3.948
 1379TIP3    H210447  -1.092  -2.458  -3.928
 1380TIP3   OH210448  -2.288  -0.810  -3.967
 1380TIP3    H110449  -2.361  -0.811  -4.031
 1380TIP3    H210450  -2.289  -0.717  -3.940
 1381TIP3   OH210451  -2.129  -2.225  -4.223
 1381TIP3    H110452  -2.080  -2.284  -4.281
 1381TIP3    H210453  -2.057  -2.181  -4.174
 1382TIP3   OH210454  -1.616  -2.207  -3.959
 1382TIP3    H110455  -1.578  -2.263  -3.889
 1382TIP3    H210456  -1.592  -2.120  -3.926
 1383TIP3   OH210457  -1.412  -0.646  -4.146
 1383TIP3    H110458  -1.315  -0.634  -4.149
 1383TIP3    H210459  -1.423  -0.707  -4.221
 1384TIP3   OH210460  -0.748  -0.727  -3.885
 1384TIP3    H110461  -0.779  -0.811  -3.926
 1384TIP3    H210462  -0.772  -0.661  -3.953
 1385TIP3   OH210463  -2.193  -2.332  -2.703
 1385TIP3    H110464  -2.237  -2.411  -2.665
 1385TIP3    H210465  -2.102  -2.345  -2.671
 1386TIP3   OH210466  -1.958  -2.393  -2.527
 1386TIP3    H110467  -1.876  -2.430  -2.567
 1386TIP3    H210468  -1.993  -2.472  -2.483
 1387TIP3   OH210469  -2.088  -0.702  -4.232
 1387TIP3    H110470  -2.130  -0.679  -4.149
 1387TIP3    H210471  -2.025  -0.771  -4.207
 1388TIP3   OH210472  -1.146  -2.484  -2.509
 1388TIP3    H110473  -1.143  -2.524  -2.420
 1388TIP3    H210474  -1.052  -2.487  -2.534
 1389TIP3   OH210475  -0.808  -0.849  -2.640
 1389TIP3    H110476  -0.882  -0.868  -2.700
 1389TIP3    H210477  -0.826  -0.755  -2.619
 1390TIP3   OH210478   0.611  -1.482  -3.627
 1390TIP3    H110479   0.609  -1.385  -3.617
 1390TIP3    H210480   0.536  -1.496  -3.688
 1391TIP3   OH210481   0.496  -1.536  -3.319
 1391TIP3    H110482   0.495  -1.593  -3.241
 1391TIP3    H210483   0.470  -1.598  -3.389
 1392TIP3   OH210484  -0.256  -1.577  -3.152
 1392TIP3    H110485  -0.258  -1.652  -3.089
 1392TIP3    H210486  -0.185  -1.523  -3.114
 1393TIP3   OH210487   0.866  -1.262  -3.488
 1393TIP3    H110488   0.827  -1.334  -3.436
 1393TIP3    H210489   0.892  -1.201  -3.418
 1394TIP3   OH210490  -0.191  -1.114  -3.305
 1394TIP3    H110491  -0.214  -1.206  -3.329
 1394TIP3    H210492  -0.099  -1.127  -3.279
 1395TIP3   OH210493  -0.490  -1.774  -3.764
 1395TIP3    H110494  -0.531  -1.687  -3.752
 1395TIP3    H210495  -0.562  -1.824  -3.807
 1396TIP3   OH210496  -0.411  -1.529  -3.579
 1396TIP3    H110497  -0.396  -1.612  -3.530
 1396TIP3    H210498  -0.326  -1.518  -3.625
 1397TIP3   OH210499   0.571  -0.726  -3.432
 1397TIP3    H110500   0.629  -0.799  -3.463
 1397TIP3    H210501   0.543  -0.759  -3.346
 1398TIP3   OH210502   0.345  -1.286  -3.264
 1398TIP3    H110503   0.377  -1.358  -3.320
 1398TIP3    H210504   0.426  -1.270  -3.211
 1399TIP3   OH210505   1.207  -2.133  -3.205
 1399TIP3    H110506   1.227  -2.082  -3.124
 1399TIP3    H210507   1.275  -2.099  -3.266
 1400TIP3   OH210508   0.675  -1.852  -3.213
 1400TIP3    H110509   0.688  -1.948  -3.206
 1400TIP3    H210510   0.665  -1.841  -3.309
 1401TIP3   OH210511  -0.028  -2.052  -3.505
 1401TIP3    H110512  -0.013  -1.966  -3.549
 1401TIP3    H210513  -0.064  -2.103  -3.580
 1402TIP3   OH210514   0.754  -2.036  -3.672
 1402TIP3    H110515   0.815  -2.079  -3.608
 1402TIP3    H210516   0.817  -1.991  -3.731
 1403TIP3   OH210517  -0.359  -1.779  -3.454
 1403TIP3    H110518  -0.296  -1.825  -3.397
 1403TIP3    H210519  -0.350  -1.828  -3.537
 1404TIP3   OH210520   0.178  -1.639  -3.508
 1404TIP3    H110521   0.250  -1.694  -3.469
 1404TIP3    H210522   0.129  -1.706  -3.559
 1405TIP3   OH210523   1.255  -2.025  -2.957
 1405TIP3    H110524   1.216  -1.936  -2.968
 1405TIP3    H210525   1.294  -2.020  -2.869
 1406TIP3   OH210526  -0.149  -2.174  -3.089
 1406TIP3    H110527  -0.188  -2.122  -3.161
 1406TIP3    H210528  -0.214  -2.158  -3.018
 1407TIP3   OH210529   0.603  -1.195  -3.750
 1407TIP3    H110530   0.570  -1.222  -3.836
 1407TIP3    H210531   0.555  -1.112  -3.733
 1408TIP3   OH210532   0.145  -1.384  -3.077
 1408TIP3    H110533   0.071  -1.324  -3.052
 1408TIP3    H210534   0.207  -1.322  -3.119
 1409TIP3   OH210535   0.945  -2.112  -3.469
 1409TIP3    H110536   0.899  -2.168  -3.405
 1409TIP3    H210537   0.991  -2.050  -3.410
 1410TIP3   OH210538  -0.188  -1.968  -3.295
 1410TIP3    H110539  -0.124  -1.911  -3.248
 1410TIP3    H210540  -0.131  -2.004  -3.365
 1411TIP3   OH210541  -0.057  -1.195  -3.007
 1411TIP3    H110542  -0.059  -1.101  -3.030
 1411TIP3    H210543  -0.142  -1.204  -2.960
 1412TIP3   OH210544  -0.426  -1.226  -3.919
 1412TIP3    H110545  -0.446  -1.179  -4.003
 1412TIP3    H210546  -0.409  -1.153  -3.856
 1413TIP3   OH210547   0.921  -1.082  -3.238
 1413TIP3    H110548   0.824  -1.071  -3.235
 1413TIP3    H210549   0.948  -0.996  -3.275
 1414TIP3   OH210550   0.951  -2.198  -3.087
 1414TIP3    H110551   0.876  -2.156  -3.132
 1414TIP3    H210552   1.026  -2.175  -3.146
 1415TIP3   OH210553   0.265  -2.422  -3.382
 1415TIP3    H110554   0.244  -2.517  -3.385
 1415TIP3    H210555   0.184  -2.385  -3.343
 1416TIP3   OH210556   0.750  -0.888  -3.581
 1416TIP3    H110557   0.797  -0.967  -3.613
 1416TIP3    H210558   0.818  -0.819  -3.593
 1417TIP3   OH210559   0.895  -1.100  -3.720
 1417TIP3    H110560   0.845  -1.148  -3.788
 1417TIP3    H210561   0.891  -1.164  -3.646
 1418TIP3   OH210562   1.050  -1.222  -2.871
 1418TIP3    H110563   1.039  -1.285  -2.945
 1418TIP3    H210564   1.061  -1.137  -2.918
 1419TIP3   OH210565   0.481  -1.525  -3.901
 1419TIP3    H110566   0.413  -1.471  -3.945
 1419TIP3    H210567   0.550  -1.530  -3.970
 1420TIP3   OH210568   0.526  -1.758  -4.155
 1420TIP3    H110569   0.591  -1.688  -4.137
 1420TIP3    H210570   0.521  -1.751  -4.252
 1421TIP3   OH210571   1.228  -1.601  -3.078
 1421TIP3    H110572   1.155  -1.536  -3.069
 1421TIP3    H210573   1.276  -1.565  -3.155
 1422TIP3   OH210574   0.830  -1.526  -3.793
 1422TIP3    H110575   0.758  -1.507  -3.728
 1422TIP3    H210576   0.884  -1.588  -3.742
 1423TIP3   OH210577   0.812  -1.673  -2.909
 1423TIP3    H110578   0.814  -1.590  -2.858
 1423TIP3    H210579   0.746  -1.647  -2.976
 1424TIP3   OH210580  -0.014  -1.452  -3.616
 1424TIP3    H110581  -0.044  -1.496  -3.698
 1424TIP3    H210582   0.052  -1.516  -3.582
 1425TIP3   OH210583   0.124  -1.110  -3.343
 1425TIP3    H110584   0.113  -1.152  -3.430
 1425TIP3    H210585   0.203  -1.157  -3.309
 1426TIP3   OH210586   0.045  -1.570  -3.267
 1426TIP3    H110587   0.103  -1.568  -3.345
 1426TIP3    H210588   0.086  -1.504  -3.208
 1427TIP3   OH210589   0.642  -1.020  -3.209
 1427TIP3    H110590   0.642  -0.952  -3.139
 1427TIP3    H210591   0.617  -1.102  -3.162
 1428TIP3   OH210592   0.130  -1.133  -2.781
 1428TIP3    H110593   0.078  -1.064  -2.734
 1428TIP3    H210594   0.067  -1.160  -2.850
 1429TIP3   OH210595   0.733  -1.578  -4.056
 1429TIP3    H110596   0.780  -1.555  -3.974
 1429TIP3    H210597   0.791  -1.539  -4.124
 1430TIP3   OH210598  -0.180  -1.487  -2.872
 1430TIP3    H110599  -0.171  -1.444  -2.785
 1430TIP3    H210600  -0.275  -1.510  -2.874
 1431TIP3   OH210601   0.468  -0.923  -3.696
 1431TIP3    H110602   0.517  -0.898  -3.617
 1431TIP3    H210603   0.420  -0.841  -3.718
 1432TIP3   OH210604  -0.049  -0.927  -2.688
 1432TIP3    H110605  -0.062  -0.904  -2.781
 1432TIP3    H210606  -0.139  -0.938  -2.654
 1433TIP3   OH210607   1.079  -2.409  -4.058
 1433TIP3    H110608   0.983  -2.399  -4.043
 1433TIP3    H210609   1.101  -2.324  -4.098
 1434TIP3   OH210610  -0.122  -1.577  -3.860
 1434TIP3    H110611  -0.143  -1.503  -3.920
 1434TIP3    H210612  -0.187  -1.643  -3.888
 1435TIP3   OH210613   1.180  -0.984  -4.252
 1435TIP3    H110614   1.213  -0.905  -4.205
 1435TIP3    H210615   1.253  -1.047  -4.242
 1436TIP3   OH210616  -0.515  -1.311  -2.990
 1436TIP3    H110617  -0.559  -1.312  -3.077
 1436TIP3    H210618  -0.501  -1.406  -2.973
 1437TIP3   OH210619  -0.509  -1.016  -3.298
 1437TIP3    H110620  -0.417  -1.047  -3.292
 1437TIP3    H210621  -0.514  -0.958  -3.220
 1438TIP3   OH210622   1.327  -0.957  -2.719
 1438TIP3    H110623   1.317  -1.052  -2.737
 1438TIP3    H210624   1.236  -0.934  -2.690
 1439TIP3   OH210625   0.393  -1.026  -2.839
 1439TIP3    H110626   0.401  -0.951  -2.777
 1439TIP3    H210627   0.304  -1.059  -2.816
 1440TIP3   OH210628   0.421  -0.653  -3.847
 1440TIP3    H110629   0.425  -0.643  -3.944
 1440TIP3    H210630   0.430  -0.562  -3.815
 1441TIP3   OH210631  -0.199  -0.739  -3.680
 1441TIP3    H110632  -0.179  -0.783  -3.594
 1441TIP3    H210633  -0.283  -0.782  -3.702
 1442TIP3   OH210634   0.747  -0.691  -4.135
 1442TIP3    H110635   0.791  -0.749  -4.201
 1442TIP3    H210636   0.750  -0.746  -4.055
 1443TIP3   OH210637   0.696  -0.764  -3.860
 1443TIP3    H110638   0.602  -0.751  -3.839
 1443TIP3    H210639   0.719  -0.835  -3.798
 1444TIP3   OH210640   1.006  -1.821  -2.678
 1444TIP3    H110641   0.959  -1.782  -2.753
 1444TIP3    H210642   1.007  -1.916  -2.704
 1445TIP3   OH210643  -0.298  -1.158  -2.857
 1445TIP3    H110644  -0.264  -1.210  -2.782
 1445TIP3    H210645  -0.367  -1.215  -2.896
 1446TIP3   OH210646   0.024  -2.310  -3.289
 1446TIP3    H110647  -0.059  -2.315  -3.340
 1446TIP3    H210648   0.003  -2.235  -3.230
 1447TIP3   OH210649   0.461  -2.352  -2.925
 1447TIP3    H110650   0.514  -2.403  -2.861
 1447TIP3    H210651   0.370  -2.386  -2.911
 1448TIP3   OH210652   0.771  -1.969  -2.878
 1448TIP3    H110653   0.716  -1.987  -2.799
 1448TIP3    H210654   0.769  -1.872  -2.886
 1449TIP3   OH210655   0.961  -1.503  -4.261
 1449TIP3    H110656   0.901  -1.515  -4.337
 1449TIP3    H210657   0.992  -1.413  -4.277
 1450TIP3   OH210658   0.447  -2.121  -4.217
 1450TIP3    H110659   0.390  -2.100  -4.142
 1450TIP3    H210660   0.394  -2.185  -4.265
 1451TIP3   OH210661   0.008  -1.830  -3.150
 1451TIP3    H110662  -0.044  -1.817  -3.069
 1451TIP3    H210663   0.017  -1.739  -3.184
 1452TIP3   OH210664   0.004  -1.822  -3.660
 1452TIP3    H110665  -0.091  -1.832  -3.677
 1452TIP3    H210666   0.040  -1.841  -3.750
 1453TIP3   OH210667   0.572  -1.767  -3.786
 1453TIP3    H110668   0.531  -1.686  -3.821
 1453TIP3    H210669   0.632  -1.791  -3.859
 1454TIP3   OH210670   0.486  -1.750  -2.652
 1454TIP3    H110671   0.432  -1.822  -2.614
 1454TIP3    H210672   0.572  -1.763  -2.608
 1455TIP3   OH210673   0.650  -1.827  -3.506
 1455TIP3    H110674   0.622  -1.769  -3.581
 1455TIP3    H210675   0.671  -1.908  -3.556
 1456TIP3   OH210676  -0.261  -1.811  -2.962
 1456TIP3    H110677  -0.223  -1.785  -2.878
 1456TIP3    H210678  -0.291  -1.902  -2.943
 1457TIP3   OH210679   0.112  -2.081  -4.317
 1457TIP3    H110680   0.081  -2.100  -4.226
 1457TIP3    H210681   0.040  -2.023  -4.349
 1458TIP3   OH210682  -0.572  -2.066  -3.600
 1458TIP3    H110683  -0.510  -2.069  -3.525
 1458TIP3    H210684  -0.521  -2.105  -3.673
 1459TIP3   OH210685  -0.414  -2.024  -4.038
 1459TIP3    H110686  -0.358  -1.975  -4.102
 1459TIP3    H210687  -0.481  -1.957  -4.017
 1460TIP3   OH210688   0.561  -1.658  -3.057
 1460TIP3    H110689   0.604  -1.731  -3.108
 1460TIP3    H210690   0.527  -1.707  -2.980
 1461TIP3   OH210691   0.281  -2.065  -3.557
 1461TIP3    H110692   0.186  -2.067  -3.534
 1461TIP3    H210693   0.322  -2.082  -3.471
 1462TIP3   OH210694  -0.263  -1.941  -3.689
 1462TIP3    H110695  -0.344  -1.914  -3.736
 1462TIP3    H210696  -0.233  -2.020  -3.739
 1463TIP3   OH210697   0.098  -1.899  -3.921
 1463TIP3    H110698   0.196  -1.898  -3.917
 1463TIP3    H210699   0.079  -1.843  -3.999
 1464TIP3   OH210700   0.719  -2.148  -3.257
 1464TIP3    H110701   0.657  -2.148  -3.181
 1464TIP3    H210702   0.660  -2.182  -3.327
 1465TIP3   OH210703  -0.048  -1.786  -4.159
 1465TIP3    H110704  -0.103  -1.840  -4.217
 1465TIP3    H210705   0.032  -1.769  -4.212
 1466TIP3   OH210706   1.023  -0.568  -2.584
 1466TIP3    H110707   1.040  -0.527  -2.671
 1466TIP3    H210708   1.100  -0.536  -2.533
 1467TIP3   OH210709  -0.172  -1.306  -2.626
 1467TIP3    H110710  -0.109  -1.288  -2.554
 1467TIP3    H210711  -0.255  -1.312  -2.576
 1468TIP3   OH210712   0.382  -1.809  -3.375
 1468TIP3    H110713   0.456  -1.851  -3.421
 1468TIP3    H210714   0.367  -1.870  -3.300
 1469TIP3   OH210715  -0.087  -2.166  -3.762
 1469TIP3    H110716  -0.140  -2.246  -3.747
 1469TIP3    H210717  -0.004  -2.203  -3.796
 1470TIP3   OH210718   0.279  -1.963  -3.150
 1470TIP3    H110719   0.202  -1.904  -3.148
 1470TIP3    H210720   0.328  -1.938  -3.070
 1471TIP3   OH210721   0.290  -1.319  -3.962
 1471TIP3    H110722   0.216  -1.374  -3.996
 1471TIP3    H210723   0.275  -1.320  -3.864
 1472TIP3   OH210724   1.017  -1.408  -3.086
 1472TIP3    H110725   1.065  -1.355  -3.152
 1472TIP3    H210726   0.931  -1.421  -3.131
 1473TIP3   OH210727   0.707  -2.056  -4.175
 1473TIP3    H110728   0.610  -2.051  -4.189
 1473TIP3    H210729   0.727  -1.967  -4.138
 1474TIP3   OH210730   0.453  -1.323  -2.824
 1474TIP3    H110731   0.422  -1.355  -2.738
 1474TIP3    H210732   0.422  -1.232  -2.823
 1475TIP3   OH210733   0.771  -1.862  -3.978
 1475TIP3    H110734   0.863  -1.874  -3.947
 1475TIP3    H210735   0.777  -1.781  -4.032
 1476TIP3   OH210736  -0.193  -1.385  -3.379
 1476TIP3    H110737  -0.136  -1.396  -3.457
 1476TIP3    H210738  -0.181  -1.470  -3.334
 1477TIP3   OH210739   0.538  -1.189  -4.069
 1477TIP3    H110740   0.508  -1.102  -4.036
 1477TIP3    H210741   0.463  -1.246  -4.042
 1478TIP3   OH210742  -0.467  -1.557  -2.850
 1478TIP3    H110743  -0.451  -1.602  -2.764
 1478TIP3    H210744  -0.526  -1.619  -2.895
 1479TIP3   OH210745   0.230  -1.609  -2.653
 1479TIP3    H110746   0.202  -1.632  -2.743
 1479TIP3    H210747   0.325  -1.630  -2.658
 1480TIP3   OH210748   0.685  -1.062  -2.875
 1480TIP3    H110749   0.588  -1.053  -2.884
 1480TIP3    H210750   0.697  -1.038  -2.781
 1481TIP3   OH210751   1.244  -1.852  -3.999
 1481TIP3    H110752   1.181  -1.870  -4.071
 1481TIP3    H210753   1.255  -1.757  -4.016
 1482TIP3   OH210754   1.282  -1.251  -2.722
 1482TIP3    H110755   1.188  -1.235  -2.743
 1482TIP3    H210756   1.317  -1.274  -2.810
 1483TIP3   OH210757   1.068  -0.996  -3.990
 1483TIP3    H110758   1.033  -1.071  -3.940
 1483TIP3    H210759   1.096  -1.037  -4.073
 1484TIP3   OH210760   0.782  -1.465  -3.256
 1484TIP3    H110761   0.688  -1.480  -3.280
 1484TIP3    H210762   0.825  -1.537  -3.306
 1485TIP3   OH210763   0.045  -1.058  -3.654
 1485TIP3    H110764   0.088  -0.971  -3.665
 1485TIP3    H210765  -0.047  -1.037  -3.675
 1486TIP3   OH210766  -0.348  -1.565  -4.201
 1486TIP3    H110767  -0.292  -1.502  -4.153
 1486TIP3    H210768  -0.437  -1.545  -4.166
 1487TIP3   OH210769   0.229  -1.287  -3.688
 1487TIP3    H110770   0.197  -1.196  -3.676
 1487TIP3    H210771   0.158  -1.338  -3.646
 1488TIP3   OH210772   0.244  -0.862  -3.056
 1488TIP3    H110773   0.301  -0.787  -3.082
 1488TIP3    H210774   0.304  -0.912  -2.998
 1489TIP3   OH210775   0.089  -0.766  -3.736
 1489TIP3    H110776  -0.006  -0.753  -3.724
 1489TIP3    H210777   0.125  -0.680  -3.707
 1490TIP3   OH210778   0.586  -1.286  -3.097
 1490TIP3    H110779   0.556  -1.314  -3.009
 1490TIP3    H210780   0.658  -1.347  -3.115
 1491TIP3   OH210781   0.807  -1.154  -4.192
 1491TIP3    H110782   0.849  -1.204  -4.120
 1491TIP3    H210783   0.714  -1.166  -4.168
 1492TIP3   OH210784   0.881  -0.828  -2.858
 1492TIP3    H110785   0.805  -0.875  -2.896
 1492TIP3    H210786   0.887  -0.749  -2.914
 1493TIP3   OH210787   1.292  -0.713  -4.159
 1493TIP3    H110788   1.361  -0.645  -4.145
 1493TIP3    H210789   1.212  -0.662  -4.136
 1494TIP3   OH210790  -0.335  -2.093  -2.892
 1494TIP3    H110791  -0.426  -2.067  -2.915
 1494TIP3    H210792  -0.350  -2.179  -2.849
 1495TIP3   OH210793   0.901  -1.295  -3.968
 1495TIP3    H110794   0.872  -1.367  -3.908
 1495TIP3    H210795   0.998  -1.301  -3.958
 1496TIP3   OH210796  -0.358  -0.919  -3.050
 1496TIP3    H110797  -0.328  -1.009  -3.033
 1496TIP3    H210798  -0.336  -0.877  -2.966
 1497TIP3   OH210799   0.253  -1.053  -4.324
 1497TIP3    H110800   0.295  -1.135  -4.359
 1497TIP3    H210801   0.197  -1.089  -4.254
 1498TIP3   OH210802   0.100  -1.100  -4.069
 1498TIP3    H110803   0.159  -1.155  -4.016
 1498TIP3    H210804   0.129  -1.009  -4.047
 1499TIP3   OH210805  -0.210  -1.363  -4.040
 1499TIP3    H110806  -0.281  -1.320  -3.988
 1499TIP3    H210807  -0.157  -1.286  -4.065
 1500TIP3   OH210808   0.562  -2.110  -3.037
 1500TIP3    H110809   0.623  -2.080  -2.968
 1500TIP3    H210810   0.514  -2.183  -2.994
 1501TIP3   OH210811   0.621  -2.157  -3.919
 1501TIP3    H110812   0.645  -2.110  -4.001
 1501TIP3    H210813   0.672  -2.108  -3.853
 1502TIP3   OH210814   0.402  -0.940  -4.027
 1502TIP3    H110815   0.325  -0.887  -4.002
 1502TIP3    H210816   0.454  -0.876  -4.077
 1503TIP3   OH210817   0.364  -1.964  -3.815
 1503TIP3    H110818   0.443  -1.908  -3.806
 1503TIP3    H210819   0.338  -1.979  -3.722
 1504TIP3   OH210820   0.403  -1.875  -2.901
 1504TIP3    H110821   0.407  -1.823  -2.819
 1504TIP3    H210822   0.457  -1.952  -2.877
 1505TIP3   OH210823   0.429  -2.261  -3.725
 1505TIP3    H110824   0.409  -2.192  -3.659
 1505TIP3    H210825   0.501  -2.218  -3.776
 1506TIP3   OH210826   0.120  -0.820  -4.025
 1506TIP3    H110827   0.127  -0.733  -4.071
 1506TIP3    H210828   0.110  -0.793  -3.932
 1507TIP3   OH210829   0.000  -2.154  -4.078
 1507TIP3    H110830  -0.006  -2.083  -4.013
 1507TIP3    H210831   0.077  -2.204  -4.043
 1508TIP3   OH210832   1.020  -2.073  -2.799
 1508TIP3    H110833   0.928  -2.064  -2.832
 1508TIP3    H210834   1.065  -2.092  -2.883
 1509TIP3   OH210835   0.882  -1.689  -3.409
 1509TIP3    H110836   0.799  -1.734  -3.435
 1509TIP3    H210837   0.930  -1.760  -3.361
 1510TIP3   OH210838  -0.167  -1.064  -4.159
 1510TIP3    H110839  -0.085  -1.038  -4.113
 1510TIP3    H210840  -0.127  -1.119  -4.229
 1511TIP3   OH210841  -0.343  -1.848  -4.254
 1511TIP3    H110842  -0.327  -1.753  -4.239
 1511TIP3    H210843  -0.434  -1.849  -4.288
 1512TIP3   OH210844   0.984  -0.804  -3.271
 1512TIP3    H110845   0.967  -0.721  -3.320
 1512TIP3    H210846   1.076  -0.789  -3.244
 1513TIP3   OH210847  -0.254  -2.353  -3.371
 1513TIP3    H110848  -0.273  -2.354  -3.467
 1513TIP3    H210849  -0.290  -2.438  -3.341
 1514TIP3   OH210850  -0.368  -1.001  -3.747
 1514TIP3    H110851  -0.446  -0.948  -3.725
 1514TIP3    H210852  -0.327  -0.950  -3.818
 1515TIP3   OH210853  -0.425  -0.716  -2.628
 1515TIP3    H110854  -0.368  -0.751  -2.559
 1515TIP3    H210855  -0.466  -0.799  -2.660
 1516TIP3   OH210856   0.465  -0.871  -4.332
 1516TIP3    H110857   0.386  -0.928  -4.325
 1516TIP3    H210858   0.532  -0.939  -4.350
 1517TIP3   OH210859   0.688  -0.979  -2.597
 1517TIP3    H110860   0.637  -1.047  -2.549
 1517TIP3    H210861   0.746  -0.946  -2.526
 1518TIP3   OH210862   0.852  -0.895  -4.288
 1518TIP3    H110863   0.869  -0.980  -4.246
 1518TIP3    H210864   0.939  -0.864  -4.317
 1519TIP3   OH210865  -0.426  -1.342  -2.515
 1519TIP3    H110866  -0.418  -1.435  -2.541
 1519TIP3    H210867  -0.505  -1.316  -2.566
 1520TIP3   OH210868  -0.004  -1.287  -4.306
 1520TIP3    H110869   0.005  -1.362  -4.246
 1520TIP3    H210870   0.057  -1.311  -4.377
 1521TIP3   OH210871   0.246  -1.320  -2.579
 1521TIP3    H110872   0.189  -1.294  -2.652
 1521TIP3    H210873   0.235  -1.417  -2.578
 1522TIP3   OH210874   0.533  -1.183  -4.346
 1522TIP3    H110875   0.539  -1.184  -4.249
 1522TIP3    H210876   0.589  -1.257  -4.373
 1523TIP3   OH210877   0.770  -1.368  -2.843
 1523TIP3    H110878   0.847  -1.313  -2.862
 1523TIP3    H210879   0.699  -1.302  -2.842
 1524TIP3   OH210880  -0.343  -1.630  -2.596
 1524TIP3    H110881  -0.272  -1.697  -2.597
 1524TIP3    H210882  -0.347  -1.613  -2.501
 1525TIP3   OH210883   0.098  -1.500  -4.089
 1525TIP3    H110884   0.039  -1.549  -4.030
 1525TIP3    H210885   0.135  -1.571  -4.143
 1526TIP3   OH210886   0.017  -1.724  -2.863
 1526TIP3    H110887  -0.027  -1.644  -2.830
 1526TIP3    H210888   0.088  -1.686  -2.918
 1527TIP3   OH210889   0.196  -1.702  -4.267
 1527TIP3    H110890   0.203  -1.712  -4.363
 1527TIP3    H210891   0.292  -1.689  -4.252
 1528TIP3   OH210892   0.541  -1.467  -2.506
 1528TIP3    H110893   0.631  -1.478  -2.539
 1528TIP3    H210894   0.525  -1.549  -2.458
 1529TIP3   OH210895   0.081  -1.993  -2.743
 1529TIP3    H110896   0.089  -2.059  -2.814
 1529TIP3    H210897   0.060  -1.913  -2.793
 1530TIP3   OH210898   0.114  -2.147  -2.998
 1530TIP3    H110899   0.167  -2.094  -3.061
 1530TIP3    H210900   0.024  -2.142  -3.034
 1531TIP3   OH210901   0.267  -1.603  -2.957
 1531TIP3    H110902   0.351  -1.612  -3.003
 1531TIP3    H210903   0.238  -1.515  -2.986
 1532TIP3   OH210904   0.732  -1.806  -2.469
 1532TIP3    H110905   0.749  -1.901  -2.468
 1532TIP3    H210906   0.820  -1.771  -2.489
 1533TIP3   OH210907   0.824  -1.528  -2.624
 1533TIP3    H110908   0.791  -1.468  -2.694
 1533TIP3    H210909   0.914  -1.546  -2.659
 1534TIP3   OH210910  -0.101  -1.806  -2.567
 1534TIP3    H110911  -0.153  -1.888  -2.560
 1534TIP3    H210912  -0.018  -1.837  -2.605
 1535TIP3   OH210913   0.185  -2.414  -2.961
 1535TIP3    H110914   0.170  -2.319  -2.977
 1535TIP3    H210915   0.116  -2.455  -3.015
 1536TIP3   OH210916   0.312  -1.957  -2.581
 1536TIP3    H110917   0.276  -1.979  -2.493
 1536TIP3    H210918   0.233  -1.975  -2.636
 1537TIP3   OH210919   0.567  -2.053  -2.695
 1537TIP3    H110920   0.479  -2.049  -2.654
 1537TIP3    H210921   0.613  -2.116  -2.638
 1538TIP3   OH210922   0.746  -2.202  -2.524
 1538TIP3    H110923   0.737  -2.298  -2.509
 1538TIP3    H210924   0.734  -2.164  -2.435
 1539TIP3   OH210925  -0.233  -2.063  -2.577
 1539TIP3    H110926  -0.239  -2.133  -2.643
 1539TIP3    H210927  -0.254  -2.111  -2.495
 1540TIP3   OH210928   0.169  -2.466  -2.680
 1540TIP3    H110929   0.231  -2.541  -2.674
 1540TIP3    H210930   0.168  -2.450  -2.776
 1541TIP3   OH210931   0.264  -2.279  -2.494
 1541TIP3    H110932   0.234  -2.337  -2.567
 1541TIP3    H210933   0.196  -2.210  -2.492
 1542TIP3   OH210934   0.177  -0.572  -4.171
 1542TIP3    H110935   0.273  -0.561  -4.161
 1542TIP3    H210936   0.156  -0.512  -4.245
 1543TIP3   OH210937  -0.441  -1.161  -4.203
 1543TIP3    H110938  -0.348  -1.132  -4.196
 1543TIP3    H210939  -0.436  -1.227  -4.274
 1544TIP3   OH210940  -0.535  -0.616  -3.720
 1544TIP3    H110941  -0.607  -0.652  -3.775
 1544TIP3    H210942  -0.528  -0.683  -3.649
 1545TIP3   OH210943  -0.498  -0.813  -3.520
 1545TIP3    H110944  -0.528  -0.900  -3.489
 1545TIP3    H210945  -0.463  -0.778  -3.437
 1546TIP3   OH210946   1.256  -0.686  -3.220
 1546TIP3    H110947   1.271  -0.688  -3.124
 1546TIP3    H210948   1.342  -0.657  -3.252
 1547TIP3   OH210949   1.245  -0.742  -2.932
 1547TIP3    H110950   1.194  -0.818  -2.967
 1547TIP3    H210951   1.301  -0.787  -2.867
 1548TIP3   OH210952   1.046  -1.200  -2.495
 1548TIP3    H110953   0.958  -1.191  -2.453
 1548TIP3    H210954   1.089  -1.116  -2.472
 1549TIP3   OH210955   1.185  -1.315  -3.931
 1549TIP3    H110956   1.275  -1.280  -3.918
 1549TIP3    H210957   1.181  -1.380  -3.858
 1550TIP3   OH210958   1.229  -1.519  -3.735
 1550TIP3    H110959   1.159  -1.572  -3.693
 1550TIP3    H210960   1.292  -1.504  -3.661
 1551TIP3   OH210961   1.204  -1.266  -3.235
 1551TIP3    H110962   1.270  -1.311  -3.290
 1551TIP3    H210963   1.214  -1.174  -3.265
 1552TIP3   OH210964   1.075  -0.972  -3.009
 1552TIP3    H110965   1.002  -0.931  -2.959
 1552TIP3    H210966   1.028  -1.008  -3.087
 1553TIP3   OH210967   1.262  -1.546  -4.107
 1553TIP3    H110968   1.198  -1.523  -4.176
 1553TIP3    H210969   1.240  -1.480  -4.040
 1554TIP3   OH210970   1.083  -1.810  -4.213
 1554TIP3    H110971   1.107  -1.734  -4.269
 1554TIP3    H210972   1.114  -1.884  -4.266
 1555TIP3   OH210973   1.029  -1.701  -3.648
 1555TIP3    H110974   1.015  -1.795  -3.668
 1555TIP3    H210975   0.986  -1.692  -3.560
 1556TIP3   OH210976  -0.491  -1.479  -3.280
 1556TIP3    H110977  -0.465  -1.474  -3.373
 1556TIP3    H210978  -0.404  -1.500  -3.239
 1557TIP3   OH210979   1.098  -1.516  -2.714
 1557TIP3    H110980   1.173  -1.577  -2.723
 1557TIP3    H210981   1.134  -1.435  -2.750
 1558TIP3   OH210982   1.265  -1.748  -2.608
 1558TIP3    H110983   1.180  -1.781  -2.644
 1558TIP3    H210984   1.330  -1.807  -2.648
 1559TIP3   OH210985   1.007  -2.156  -4.340
 1559TIP3    H110986   1.057  -2.139  -4.260
 1559TIP3    H210987   0.914  -2.160  -4.311
 1560TIP3   OH210988   1.008  -1.945  -3.832
 1560TIP3    H110989   1.031  -2.041  -3.828
 1560TIP3    H210990   1.089  -1.909  -3.873
 1561TIP3   OH210991   1.035  -1.888  -3.288
 1561TIP3    H110992   1.132  -1.879  -3.288
 1561TIP3    H210993   1.018  -1.890  -3.192
 1562TIP3   OH210994   1.050  -1.818  -3.002
 1562TIP3    H110995   0.964  -1.778  -2.980
 1562TIP3    H210996   1.104  -1.740  -3.027
 1563TIP3   OH210997  -0.500  -1.944  -2.645
 1563TIP3    H110998  -0.406  -1.967  -2.633
 1563TIP3    H210999  -0.543  -2.030  -2.632
 1564TIP3   OH211000   1.297  -2.396  -2.488
 1564TIP3    H111001   1.343  -2.463  -2.541
 1564TIP3    H211002   1.310  -2.315  -2.541
 1565TIP3   OH211003   1.057  -2.219  -3.826
 1565TIP3    H111004   1.066  -2.260  -3.738
 1565TIP3    H211005   0.983  -2.271  -3.863
 1566TIP3   OH211006  -0.423  -2.110  -3.359
 1566TIP3    H111007  -0.376  -2.195  -3.352
 1566TIP3    H211008  -0.354  -2.049  -3.325
 1567TIP3   OH211009  -0.569  -1.842  -3.255
 1567TIP3    H111010  -0.510  -1.846  -3.333
 1567TIP3    H211011  -0.531  -1.766  -3.209
 1568TIP3   OH211012   1.266  -2.176  -2.646
 1568TIP3    H111013   1.177  -2.138  -2.646
 1568TIP3    H211014   1.267  -2.224  -2.730
 1569TIP3   OH211015   1.262  -2.183  -4.171
 1569TIP3    H111016   1.281  -2.253  -4.234
 1569TIP3    H211017   1.344  -2.132  -4.172
 1570TIP3   OH211018  -0.519  -2.208  -3.852
 1570TIP3    H111019  -0.614  -2.206  -3.872
 1570TIP3    H211020  -0.481  -2.148  -3.920
 1571TIP3   OH211021   0.942  -0.683  -3.642
 1571TIP3    H111022   0.992  -0.710  -3.721
 1571TIP3    H211023   1.012  -0.645  -3.586
 1572TIP3   OH211024  -0.515  -2.321  -3.035
 1572TIP3    H111025  -0.585  -2.346  -2.974
 1572TIP3    H211026  -0.564  -2.267  -3.100
 1573TIP3   OH211027  -0.314  -0.996  -2.560
 1573TIP3    H111028  -0.375  -1.015  -2.633
 1573TIP3    H211029  -0.365  -1.026  -2.483
 1574TIP3   OH211030  -0.032  -0.911  -2.993
 1574TIP3    H111031  -0.062  -0.826  -3.029
 1574TIP3    H211032   0.064  -0.903  -3.011
 1575TIP3   OH211033   0.422  -0.790  -2.668
 1575TIP3    H111034   0.443  -0.814  -2.577
 1575TIP3    H211035   0.503  -0.745  -2.696
 1576TIP3   OH211036   0.643  -0.642  -2.768
 1576TIP3    H111037   0.711  -0.707  -2.791
 1576TIP3    H211038   0.674  -0.611  -2.681
 1577TIP3   OH211039   1.134  -2.375  -2.849
 1577TIP3    H111040   1.056  -2.352  -2.901
 1577TIP3    H211041   1.158  -2.463  -2.884
 1578TIP3   OH211042  -0.295  -0.619  -2.968
 1578TIP3    H111043  -0.354  -0.553  -3.010
 1578TIP3    H211044  -0.324  -0.610  -2.876
 1579TIP3   OH211045  -0.046  -0.643  -3.112
 1579TIP3    H111046  -0.130  -0.623  -3.068
 1579TIP3    H211047  -0.041  -0.572  -3.179
 1580TIP3   OH211048   0.431  -0.640  -3.156
 1580TIP3    H111049   0.392  -0.594  -3.232
 1580TIP3    H211050   0.437  -0.567  -3.091
 1581TIP3   OH211051   0.664  -0.768  -3.064
 1581TIP3    H111052   0.579  -0.733  -3.096
 1581TIP3    H211053   0.719  -0.688  -3.065
 1582TIP3   OH211054   0.917  -0.594  -3.044
 1582TIP3    H111055   0.911  -0.499  -3.067
 1582TIP3    H211056   0.944  -0.632  -3.130
 1583TIP3   OH211057  -0.337  -0.738  -3.273
 1583TIP3    H111058  -0.338  -0.785  -3.186
 1583TIP3    H211059  -0.260  -0.781  -3.314
 1584TIP3   OH211060  -0.133  -0.862  -3.430
 1584TIP3    H111061  -0.149  -0.954  -3.402
 1584TIP3    H211062  -0.043  -0.847  -3.396
 1585TIP3   OH211063   0.141  -0.816  -3.340
 1585TIP3    H111064   0.160  -0.910  -3.361
 1585TIP3    H211065   0.149  -0.818  -3.243
 1586TIP3   OH211066   0.475  -2.227  -3.408
 1586TIP3    H111067   0.405  -2.295  -3.395
 1586TIP3    H211068   0.535  -2.272  -3.470
 1587TIP3   OH211069   0.970  -2.427  -3.364
 1587TIP3    H111070   1.045  -2.380  -3.403
 1587TIP3    H211071   0.895  -2.394  -3.417
 1588TIP3   OH211072   1.179  -2.316  -3.575
 1588TIP3    H111073   1.249  -2.356  -3.629
 1588TIP3    H211074   1.206  -2.224  -3.567
 1589TIP3   OH211075  -0.290  -2.355  -3.652
 1589TIP3    H111076  -0.376  -2.367  -3.697
 1589TIP3    H211077  -0.248  -2.441  -3.669
 1590TIP3   OH211078  -0.410  -2.399  -4.081
 1590TIP3    H111079  -0.351  -2.335  -4.126
 1590TIP3    H211080  -0.444  -2.345  -4.007
 1591TIP3   OH211081   0.157  -2.376  -3.664
 1591TIP3    H111082   0.245  -2.340  -3.681
 1591TIP3    H211083   0.157  -2.382  -3.568
 1592TIP3   OH211084   0.718  -2.368  -3.523
 1592TIP3    H111085   0.741  -2.381  -3.616
 1592TIP3    H211086   0.679  -2.454  -3.500
 1593TIP3   OH211087   0.826  -2.361  -3.914
 1593TIP3    H111088   0.747  -2.312  -3.944
 1593TIP3    H211089   0.794  -2.452  -3.924
 1594TIP3   OH211090  -0.403  -0.810  -3.966
 1594TIP3    H111091  -0.475  -0.811  -4.032
 1594TIP3    H211092  -0.404  -0.717  -3.940
 1595TIP3   OH211093  -0.243  -2.230  -4.228
 1595TIP3    H111094  -0.186  -2.284  -4.284
 1595TIP3    H211095  -0.178  -2.177  -4.180
 1596TIP3   OH211096   0.263  -2.211  -3.955
 1596TIP3    H111097   0.309  -2.262  -3.887
 1596TIP3    H211098   0.294  -2.122  -3.931
 1597TIP3   OH211099   0.473  -0.645  -4.148
 1597TIP3    H111100   0.571  -0.634  -4.150
 1597TIP3    H211101   0.464  -0.709  -4.221
 1598TIP3   OH211102   1.137  -0.727  -3.884
 1598TIP3    H111103   1.108  -0.811  -3.925
 1598TIP3    H211104   1.114  -0.662  -3.953
 1599TIP3   OH211105  -0.311  -2.333  -2.702
 1599TIP3    H111106  -0.350  -2.414  -2.664
 1599TIP3    H211107  -0.218  -2.343  -2.674
 1600TIP3   OH211108  -0.073  -2.394  -2.529
 1600TIP3    H111109   0.010  -2.427  -2.568
 1600TIP3    H211110  -0.105  -2.474  -2.485
 1601TIP3   OH211111  -0.204  -0.702  -4.231
 1601TIP3    H111112  -0.243  -0.681  -4.146
 1601TIP3    H211113  -0.137  -0.768  -4.209
 1602TIP3   OH211114   0.741  -2.482  -2.510
 1602TIP3    H111115   0.744  -2.524  -2.422
 1602TIP3    H211116   0.835  -2.486  -2.536
 1603TIP3   OH211117   1.074  -0.851  -2.638
 1603TIP3    H111118   1.001  -0.869  -2.700
 1603TIP3    H211119   1.059  -0.757  -2.619
 1604TIP3   OH211120   2.494  -1.482  -3.627
 1604TIP3    H111121   2.496  -1.385  -3.619
 1604TIP3    H211122   2.422  -1.493  -3.691
 1605TIP3   OH211123   2.380  -1.534  -3.320
 1605TIP3    H111124   2.385  -1.588  -3.239
 1605TIP3    H211125   2.361  -1.601  -3.387
 1606TIP3   OH211126   1.633  -1.596  -3.152
 1606TIP3    H111127   1.622  -1.672  -3.088
 1606TIP3    H211128   1.690  -1.540  -3.097
 1607TIP3   OH211129   2.750  -1.252  -3.478
 1607TIP3    H111130   2.719  -1.326  -3.425
 1607TIP3    H211131   2.783  -1.192  -3.410
 1608TIP3   OH211132   1.696  -1.118  -3.311
 1608TIP3    H111133   1.669  -1.208  -3.334
 1608TIP3    H211134   1.786  -1.132  -3.278
 1609TIP3   OH211135   1.404  -1.767  -3.758
 1609TIP3    H111136   1.350  -1.686  -3.753
 1609TIP3    H211137   1.340  -1.829  -3.796
 1610TIP3   OH211138   1.455  -1.528  -3.568
 1610TIP3    H111139   1.484  -1.611  -3.526
 1610TIP3    H211140   1.537  -1.493  -3.606
 1611TIP3   OH211141   2.455  -0.727  -3.432
 1611TIP3    H111142   2.513  -0.798  -3.464
 1611TIP3    H211143   2.429  -0.760  -3.345
 1612TIP3   OH211144   2.233  -1.287  -3.265
 1612TIP3    H111145   2.270  -1.359  -3.319
 1612TIP3    H211146   2.312  -1.268  -3.211
 1613TIP3   OH211147   3.075  -2.143  -3.184
 1613TIP3    H111148   3.116  -2.080  -3.123
 1613TIP3    H211149   3.128  -2.128  -3.264
 1614TIP3   OH211150   2.563  -1.853  -3.213
 1614TIP3    H111151   2.572  -1.949  -3.206
 1614TIP3    H211152   2.552  -1.841  -3.309
 1615TIP3   OH211153   1.861  -2.038  -3.515
 1615TIP3    H111154   1.855  -1.964  -3.576
 1615TIP3    H211155   1.831  -2.109  -3.575
 1616TIP3   OH211156   2.641  -2.034  -3.673
 1616TIP3    H111157   2.699  -2.078  -3.607
 1616TIP3    H211158   2.707  -1.992  -3.730
 1617TIP3   OH211159   1.560  -1.770  -3.474
 1617TIP3    H111160   1.593  -1.824  -3.399
 1617TIP3    H211161   1.516  -1.837  -3.529
 1618TIP3   OH211162   2.018  -1.665  -3.543
 1618TIP3    H111163   2.108  -1.670  -3.506
 1618TIP3    H211164   2.001  -1.758  -3.552
 1619TIP3   OH211165   3.120  -2.015  -2.928
 1619TIP3    H111166   3.115  -1.926  -2.968
 1619TIP3    H211167   3.168  -1.997  -2.845
 1620TIP3   OH211168   1.719  -2.161  -3.067
 1620TIP3    H111169   1.681  -2.110  -3.140
 1620TIP3    H211170   1.657  -2.139  -2.996
 1621TIP3   OH211171   2.477  -1.203  -3.748
 1621TIP3    H111172   2.462  -1.215  -3.842
 1621TIP3    H211173   2.443  -1.113  -3.732
 1622TIP3   OH211174   2.029  -1.385  -3.079
 1622TIP3    H111175   1.956  -1.326  -3.050
 1622TIP3    H211176   2.092  -1.321  -3.118
 1623TIP3   OH211177   2.823  -2.109  -3.469
 1623TIP3    H111178   2.791  -2.172  -3.403
 1623TIP3    H211179   2.878  -2.050  -3.415
 1624TIP3   OH211180   1.695  -1.967  -3.300
 1624TIP3    H111181   1.754  -1.916  -3.240
 1624TIP3    H211182   1.760  -2.004  -3.363
 1625TIP3   OH211183   1.828  -1.197  -3.011
 1625TIP3    H111184   1.825  -1.101  -3.030
 1625TIP3    H211185   1.745  -1.208  -2.962
 1626TIP3   OH211186   1.460  -1.228  -3.918
 1626TIP3    H111187   1.444  -1.189  -4.006
 1626TIP3    H211188   1.475  -1.151  -3.861
 1627TIP3   OH211189   2.811  -1.089  -3.219
 1627TIP3    H111190   2.717  -1.065  -3.222
 1627TIP3    H211191   2.853  -1.003  -3.239
 1628TIP3   OH211192   2.148  -2.421  -3.380
 1628TIP3    H111193   2.126  -2.516  -3.383
 1628TIP3    H211194   2.068  -2.383  -3.339
 1629TIP3   OH211195   2.635  -0.886  -3.584
 1629TIP3    H111196   2.683  -0.967  -3.613
 1629TIP3    H211197   2.704  -0.819  -3.593
 1630TIP3   OH211198   2.777  -1.098  -3.717
 1630TIP3    H111199   2.737  -1.151  -3.788
 1630TIP3    H211200   2.777  -1.161  -3.643
 1631TIP3   OH211201   2.365  -1.530  -3.904
 1631TIP3    H111202   2.299  -1.470  -3.942
 1631TIP3    H211203   2.438  -1.522  -3.968
 1632TIP3   OH211204   2.382  -1.708  -4.205
 1632TIP3    H111205   2.451  -1.675  -4.144
 1632TIP3    H211206   2.435  -1.768  -4.261
 1633TIP3   OH211207   3.099  -1.602  -3.075
 1633TIP3    H111208   3.034  -1.529  -3.065
 1633TIP3    H211209   3.151  -1.568  -3.150
 1634TIP3   OH211210   2.711  -1.531  -3.794
 1634TIP3    H111211   2.645  -1.510  -3.725
 1634TIP3    H211212   2.774  -1.585  -3.743
 1635TIP3   OH211213   2.702  -1.701  -2.901
 1635TIP3    H111214   2.686  -1.637  -2.830
 1635TIP3    H211215   2.635  -1.673  -2.966
 1636TIP3   OH211216   2.005  -1.118  -3.342
 1636TIP3    H111217   2.008  -1.146  -3.434
 1636TIP3    H211218   2.087  -1.157  -3.306
 1637TIP3   OH211219   1.927  -1.556  -3.277
 1637TIP3    H111220   2.000  -1.563  -3.341
 1637TIP3    H211221   1.967  -1.507  -3.203
 1638TIP3   OH211222   2.522  -1.018  -3.211
 1638TIP3    H111223   2.530  -0.950  -3.142
 1638TIP3    H211224   2.507  -1.101  -3.161
 1639TIP3   OH211225   2.016  -1.138  -2.786
 1639TIP3    H111226   1.966  -1.073  -2.732
 1639TIP3    H211227   1.949  -1.165  -2.851
 1640TIP3   OH211228   2.620  -1.582  -4.057
 1640TIP3    H111229   2.663  -1.557  -3.973
 1640TIP3    H211230   2.681  -1.541  -4.122
 1641TIP3   OH211231   1.698  -1.479  -2.887
 1641TIP3    H111232   1.710  -1.444  -2.798
 1641TIP3    H211233   1.616  -1.530  -2.878
 1642TIP3   OH211234   2.350  -0.925  -3.693
 1642TIP3    H111235   2.405  -0.898  -3.619
 1642TIP3    H211236   2.307  -0.842  -3.720
 1643TIP3   OH211237   1.825  -0.920  -2.701
 1643TIP3    H111238   1.812  -0.919  -2.798
 1643TIP3    H211239   1.737  -0.948  -2.668
 1644TIP3   OH211240   2.957  -2.411  -4.042
 1644TIP3    H111241   2.862  -2.395  -4.025
 1644TIP3    H211242   2.977  -2.340  -4.104
 1645TIP3   OH211243   3.066  -0.987  -4.247
 1645TIP3    H111244   3.100  -0.905  -4.207
 1645TIP3    H211245   3.143  -1.047  -4.243
 1646TIP3   OH211246   1.371  -1.306  -2.992
 1646TIP3    H111247   1.325  -1.310  -3.078
 1646TIP3    H211248   1.382  -1.400  -2.970
 1647TIP3   OH211249   1.377  -1.017  -3.298
 1647TIP3    H111250   1.469  -1.045  -3.289
 1647TIP3    H211251   1.368  -0.957  -3.222
 1648TIP3   OH211252   2.278  -1.033  -2.841
 1648TIP3    H111253   2.287  -0.952  -2.788
 1648TIP3    H211254   2.189  -1.064  -2.816
 1649TIP3   OH211255   2.309  -0.654  -3.847
 1649TIP3    H111256   2.310  -0.643  -3.943
 1649TIP3    H211257   2.314  -0.563  -3.814
 1650TIP3   OH211258   1.687  -0.740  -3.681
 1650TIP3    H111259   1.705  -0.784  -3.595
 1650TIP3    H211260   1.602  -0.779  -3.704
 1651TIP3   OH211261   2.633  -0.691  -4.135
 1651TIP3    H111262   2.678  -0.749  -4.201
 1651TIP3    H211263   2.636  -0.747  -4.056
 1652TIP3   OH211264   2.582  -0.766  -3.862
 1652TIP3    H111265   2.489  -0.749  -3.839
 1652TIP3    H211266   2.605  -0.833  -3.796
 1653TIP3   OH211267   2.897  -1.824  -2.683
 1653TIP3    H111268   2.827  -1.792  -2.743
 1653TIP3    H211269   2.904  -1.917  -2.704
 1654TIP3   OH211270   1.589  -1.154  -2.865
 1654TIP3    H111271   1.618  -1.201  -2.785
 1654TIP3    H211272   1.518  -1.211  -2.899
 1655TIP3   OH211273   1.904  -2.296  -3.286
 1655TIP3    H111274   1.819  -2.309  -3.332
 1655TIP3    H211275   1.879  -2.230  -3.220
 1656TIP3   OH211276   2.348  -2.348  -2.929
 1656TIP3    H111277   2.399  -2.398  -2.862
 1656TIP3    H211278   2.257  -2.377  -2.913
 1657TIP3   OH211279   2.839  -1.503  -4.249
 1657TIP3    H111280   2.799  -1.521  -4.336
 1657TIP3    H211281   2.874  -1.414  -4.266
 1658TIP3   OH211282   2.329  -2.112  -4.216
 1658TIP3    H111283   2.274  -2.108  -4.137
 1658TIP3    H211284   2.284  -2.181  -4.267
 1659TIP3   OH211285   1.881  -1.835  -3.137
 1659TIP3    H111286   1.819  -1.833  -3.061
 1659TIP3    H211287   1.880  -1.742  -3.166
 1660TIP3   OH211288   2.454  -1.769  -3.787
 1660TIP3    H111289   2.416  -1.685  -3.820
 1660TIP3    H211290   2.522  -1.787  -3.855
 1661TIP3   OH211291   2.369  -1.745  -2.649
 1661TIP3    H111292   2.318  -1.820  -2.612
 1661TIP3    H211293   2.456  -1.758  -2.606
 1662TIP3   OH211294   2.528  -1.827  -3.504
 1662TIP3    H111295   2.505  -1.769  -3.580
 1662TIP3    H211296   2.553  -1.908  -3.553
 1663TIP3   OH211297   2.003  -2.073  -4.315
 1663TIP3    H111298   1.968  -2.098  -4.227
 1663TIP3    H211299   1.928  -2.021  -4.350
 1664TIP3   OH211300   1.342  -2.043  -3.607
 1664TIP3    H111301   1.381  -2.077  -3.524
 1664TIP3    H211302   1.366  -2.109  -3.674
 1665TIP3   OH211303   1.474  -2.021  -4.037
 1665TIP3    H111304   1.526  -1.972  -4.104
 1665TIP3    H211305   1.403  -1.958  -4.019
 1666TIP3   OH211306   2.444  -1.657  -3.061
 1666TIP3    H111307   2.488  -1.730  -3.109
 1666TIP3    H211308   2.410  -1.704  -2.983
 1667TIP3   OH211309   2.167  -2.062  -3.556
 1667TIP3    H111310   2.073  -2.072  -3.532
 1667TIP3    H211311   2.211  -2.084  -3.472
 1668TIP3   OH211312   1.660  -1.903  -3.711
 1668TIP3    H111313   1.565  -1.899  -3.734
 1668TIP3    H211314   1.684  -1.993  -3.743
 1669TIP3   OH211315   1.965  -1.857  -3.887
 1669TIP3    H111316   2.057  -1.889  -3.891
 1669TIP3    H211317   1.942  -1.844  -3.981
 1670TIP3   OH211318   2.620  -2.164  -3.248
 1670TIP3    H111319   2.559  -2.154  -3.172
 1670TIP3    H211320   2.559  -2.191  -3.319
 1671TIP3   OH211321   1.854  -1.802  -4.149
 1671TIP3    H111322   1.784  -1.839  -4.206
 1671TIP3    H211323   1.920  -1.772  -4.213
 1672TIP3   OH211324   2.905  -0.592  -2.589
 1672TIP3    H111325   2.932  -0.555  -2.674
 1672TIP3    H211326   2.972  -0.556  -2.529
 1673TIP3   OH211327   1.697  -1.304  -2.645
 1673TIP3    H111328   1.765  -1.299  -2.575
 1673TIP3    H211329   1.617  -1.313  -2.590
 1674TIP3   OH211330   2.252  -1.796  -3.388
 1674TIP3    H111331   2.329  -1.838  -3.430
 1674TIP3    H211332   2.239  -1.852  -3.309
 1675TIP3   OH211333   1.798  -2.164  -3.757
 1675TIP3    H111334   1.738  -2.240  -3.744
 1675TIP3    H211335   1.878  -2.208  -3.791
 1676TIP3   OH211336   2.169  -1.952  -3.153
 1676TIP3    H111337   2.085  -1.903  -3.145
 1676TIP3    H211338   2.213  -1.930  -3.068
 1677TIP3   OH211339   2.176  -1.324  -3.957
 1677TIP3    H111340   2.102  -1.375  -3.995
 1677TIP3    H211341   2.158  -1.328  -3.861
 1678TIP3   OH211342   2.906  -1.397  -3.073
 1678TIP3    H111343   2.957  -1.338  -3.133
 1678TIP3    H211344   2.823  -1.406  -3.123
 1679TIP3   OH211345   2.596  -2.048  -4.183
 1679TIP3    H111346   2.498  -2.048  -4.187
 1679TIP3    H211347   2.618  -1.971  -4.127
 1680TIP3   OH211348   2.349  -1.323  -2.829
 1680TIP3    H111349   2.319  -1.358  -2.744
 1680TIP3    H211350   2.316  -1.232  -2.827
 1681TIP3   OH211351   2.656  -1.862  -3.988
 1681TIP3    H111352   2.743  -1.880  -3.946
 1681TIP3    H211353   2.672  -1.775  -4.030
 1682TIP3   OH211354   1.712  -1.424  -3.425
 1682TIP3    H111355   1.804  -1.397  -3.434
 1682TIP3    H211356   1.718  -1.482  -3.347
 1683TIP3   OH211357   2.424  -1.189  -4.067
 1683TIP3    H111358   2.394  -1.101  -4.038
 1683TIP3    H211359   2.346  -1.243  -4.041
 1684TIP3   OH211360   1.396  -1.547  -2.836
 1684TIP3    H111361   1.443  -1.596  -2.765
 1684TIP3    H211362   1.371  -1.618  -2.897
 1685TIP3   OH211363   2.117  -1.601  -2.652
 1685TIP3    H111364   2.068  -1.638  -2.728
 1685TIP3    H211365   2.207  -1.636  -2.668
 1686TIP3   OH211366   2.579  -1.059  -2.871
 1686TIP3    H111367   2.485  -1.053  -2.896
 1686TIP3    H211368   2.573  -1.033  -2.776
 1687TIP3   OH211369   3.126  -1.850  -3.998
 1687TIP3    H111370   3.065  -1.871  -4.071
 1687TIP3    H211371   3.139  -1.755  -4.017
 1688TIP3   OH211372   2.946  -0.997  -3.991
 1688TIP3    H111373   2.925  -1.076  -3.940
 1688TIP3    H211374   2.985  -1.034  -4.072
 1689TIP3   OH211375   2.674  -1.466  -3.244
 1689TIP3    H111376   2.582  -1.480  -3.272
 1689TIP3    H211377   2.720  -1.534  -3.297
 1690TIP3   OH211378   1.929  -1.061  -3.653
 1690TIP3    H111379   1.976  -0.977  -3.664
 1690TIP3    H211380   1.839  -1.035  -3.675
 1691TIP3   OH211381   1.543  -1.556  -4.197
 1691TIP3    H111382   1.596  -1.499  -4.137
 1691TIP3    H211383   1.452  -1.538  -4.167
 1692TIP3   OH211384   2.091  -1.308  -3.684
 1692TIP3    H111385   2.076  -1.212  -3.674
 1692TIP3    H211386   2.012  -1.344  -3.643
 1693TIP3   OH211387   2.131  -0.862  -3.056
 1693TIP3    H111388   2.187  -0.786  -3.082
 1693TIP3    H211389   2.191  -0.911  -2.998
 1694TIP3   OH211390   1.975  -0.767  -3.733
 1694TIP3    H111391   1.879  -0.752  -3.724
 1694TIP3    H211392   2.011  -0.680  -3.707
 1695TIP3   OH211393   2.478  -1.286  -3.090
 1695TIP3    H111394   2.445  -1.317  -3.004
 1695TIP3    H211395   2.549  -1.350  -3.109
 1696TIP3   OH211396   2.686  -1.161  -4.195
 1696TIP3    H111397   2.737  -1.201  -4.122
 1696TIP3    H211398   2.597  -1.169  -4.158
 1697TIP3   OH211399   2.805  -0.869  -2.844
 1697TIP3    H111400   2.720  -0.893  -2.885
 1697TIP3    H211401   2.818  -0.779  -2.879
 1698TIP3   OH211402   3.175  -0.714  -4.158
 1698TIP3    H111403   3.246  -0.646  -4.146
 1698TIP3    H211404   3.096  -0.661  -4.138
 1699TIP3   OH211405   2.785  -1.296  -3.965
 1699TIP3    H111406   2.760  -1.369  -3.906
 1699TIP3    H211407   2.882  -1.300  -3.961
 1700TIP3   OH211408   1.529  -0.919  -3.051
 1700TIP3    H111409   1.555  -1.009  -3.029
 1700TIP3    H211410   1.547  -0.874  -2.967
 1701TIP3   OH211411   2.136  -1.054  -4.327
 1701TIP3    H111412   2.175  -1.139  -4.355
 1701TIP3    H211413   2.081  -1.083  -4.252
 1702TIP3   OH211414   1.992  -1.099  -4.074
 1702TIP3    H111415   2.048  -1.151  -4.015
 1702TIP3    H211416   2.013  -1.007  -4.049
 1703TIP3   OH211417   1.680  -1.383  -4.014
 1703TIP3    H111418   1.607  -1.334  -3.972
 1703TIP3    H211419   1.730  -1.311  -4.055
 1704TIP3   OH211420   2.481  -2.104  -3.013
 1704TIP3    H111421   2.498  -2.081  -2.920
 1704TIP3    H211422   2.408  -2.167  -3.003
 1705TIP3   OH211423   2.504  -2.151  -3.921
 1705TIP3    H111424   2.538  -2.104  -3.999
 1705TIP3    H211425   2.559  -2.114  -3.851
 1706TIP3   OH211426   2.288  -0.941  -4.028
 1706TIP3    H111427   2.211  -0.887  -4.003
 1706TIP3    H211428   2.341  -0.875  -4.075
 1707TIP3   OH211429   2.244  -1.965  -3.818
 1707TIP3    H111430   2.324  -1.910  -3.810
 1707TIP3    H211431   2.222  -1.983  -3.725
 1708TIP3   OH211432   2.291  -1.877  -2.904
 1708TIP3    H111433   2.284  -1.822  -2.824
 1708TIP3    H211434   2.352  -1.945  -2.875
 1709TIP3   OH211435   2.315  -2.261  -3.724
 1709TIP3    H111436   2.296  -2.194  -3.656
 1709TIP3    H211437   2.387  -2.218  -3.773
 1710TIP3   OH211438   2.007  -0.821  -4.025
 1710TIP3    H111439   2.012  -0.736  -4.073
 1710TIP3    H211440   1.995  -0.792  -3.933
 1711TIP3   OH211441   1.889  -2.146  -4.077
 1711TIP3    H111442   1.872  -2.081  -4.009
 1711TIP3    H211443   1.964  -2.196  -4.040
 1712TIP3   OH211444   2.764  -1.687  -3.410
 1712TIP3    H111445   2.682  -1.733  -3.436
 1712TIP3    H211446   2.815  -1.758  -3.365
 1713TIP3   OH211447   1.716  -1.074  -4.154
 1713TIP3    H111448   1.797  -1.044  -4.111
 1713TIP3    H211449   1.754  -1.127  -4.226
 1714TIP3   OH211450   1.546  -1.843  -4.250
 1714TIP3    H111451   1.557  -1.747  -4.238
 1714TIP3    H211452   1.458  -1.847  -4.292
 1715TIP3   OH211453   2.891  -0.797  -3.253
 1715TIP3    H111454   2.862  -0.724  -3.311
 1715TIP3    H211455   2.987  -0.778  -3.250
 1716TIP3   OH211456   1.636  -2.354  -3.370
 1716TIP3    H111457   1.612  -2.357  -3.465
 1716TIP3    H211458   1.598  -2.438  -3.337
 1717TIP3   OH211459   1.520  -1.002  -3.746
 1717TIP3    H111460   1.440  -0.952  -3.724
 1717TIP3    H211461   1.557  -0.950  -3.820
 1718TIP3   OH211462   1.454  -0.710  -2.624
 1718TIP3    H111463   1.515  -0.738  -2.553
 1718TIP3    H211464   1.418  -0.796  -2.653
 1719TIP3   OH211465   1.929  -0.804  -2.452
 1719TIP3    H111466   1.997  -0.868  -2.426
 1719TIP3    H211467   1.907  -0.833  -2.542
 1720TIP3   OH211468   2.351  -0.870  -4.331
 1720TIP3    H111469   2.271  -0.927  -4.326
 1720TIP3    H211470   2.418  -0.937  -4.352
 1721TIP3   OH211471   2.580  -0.988  -2.602
 1721TIP3    H111472   2.535  -1.060  -2.554
 1721TIP3    H211473   2.646  -0.956  -2.537
 1722TIP3   OH211474   2.735  -0.897  -4.288
 1722TIP3    H111475   2.763  -0.978  -4.244
 1722TIP3    H211476   2.819  -0.856  -4.318
 1723TIP3   OH211477   1.452  -1.352  -2.512
 1723TIP3    H111478   1.469  -1.440  -2.549
 1723TIP3    H211479   1.380  -1.321  -2.570
 1724TIP3   OH211480   1.882  -1.291  -4.302
 1724TIP3    H111481   1.899  -1.366  -4.244
 1724TIP3    H211482   1.944  -1.305  -4.374
 1725TIP3   OH211483   2.121  -1.329  -2.584
 1725TIP3    H111484   2.087  -1.299  -2.669
 1725TIP3    H211485   2.127  -1.427  -2.597
 1726TIP3   OH211486   2.411  -1.190  -4.347
 1726TIP3    H111487   2.429  -1.178  -4.252
 1726TIP3    H211488   2.477  -1.256  -4.372
 1727TIP3   OH211489   2.680  -1.338  -2.830
 1727TIP3    H111490   2.746  -1.311  -2.894
 1727TIP3    H211491   2.607  -1.276  -2.847
 1728TIP3   OH211492   1.547  -1.619  -2.601
 1728TIP3    H111493   1.610  -1.691  -2.618
 1728TIP3    H211494   1.538  -1.624  -2.505
 1729TIP3   OH211495   1.988  -1.505  -4.079
 1729TIP3    H111496   1.922  -1.555  -4.030
 1729TIP3    H211497   2.024  -1.572  -4.140
 1730TIP3   OH211498   1.928  -1.715  -2.835
 1730TIP3    H111499   1.842  -1.670  -2.834
 1730TIP3    H211500   1.969  -1.681  -2.916
 1731TIP3   OH211501   2.104  -1.684  -4.275
 1731TIP3    H111502   2.109  -1.712  -4.367
 1731TIP3    H211503   2.199  -1.688  -4.250
 1732TIP3   OH211504   2.437  -1.452  -2.502
 1732TIP3    H111505   2.529  -1.471  -2.525
 1732TIP3    H211506   2.410  -1.534  -2.459
 1733TIP3   OH211507   1.973  -1.991  -2.741
 1733TIP3    H111508   1.969  -2.059  -2.810
 1733TIP3    H211509   1.941  -1.912  -2.788
 1734TIP3   OH211510   1.997  -2.152  -3.003
 1734TIP3    H111511   2.044  -2.092  -3.063
 1734TIP3    H211512   1.903  -2.136  -3.023
 1735TIP3   OH211513   2.160  -1.604  -2.966
 1735TIP3    H111514   2.246  -1.605  -3.011
 1735TIP3    H211515   2.127  -1.515  -2.987
 1736TIP3   OH211516   2.614  -1.807  -2.483
 1736TIP3    H111517   2.629  -1.900  -2.457
 1736TIP3    H211518   2.703  -1.770  -2.477
 1737TIP3   OH211519   2.720  -1.537  -2.650
 1737TIP3    H111520   2.685  -1.464  -2.705
 1737TIP3    H211521   2.814  -1.530  -2.674
 1738TIP3   OH211522   1.792  -1.825  -2.549
 1738TIP3    H111523   1.724  -1.892  -2.570
 1738TIP3    H211524   1.861  -1.848  -2.612
 1739TIP3   OH211525   2.075  -2.413  -2.964
 1739TIP3    H111526   2.053  -2.319  -2.978
 1739TIP3    H211527   2.003  -2.456  -3.014
 1740TIP3   OH211528   2.212  -1.962  -2.590
 1740TIP3    H111529   2.179  -1.985  -2.501
 1740TIP3    H211530   2.130  -1.979  -2.641
 1741TIP3   OH211531   2.470  -2.051  -2.726
 1741TIP3    H111532   2.386  -2.035  -2.679
 1741TIP3    H211533   2.520  -2.101  -2.659
 1742TIP3   OH211534   2.636  -2.202  -2.529
 1742TIP3    H111535   2.618  -2.296  -2.512
 1742TIP3    H211536   2.613  -2.160  -2.444
 1743TIP3   OH211537   1.633  -2.061  -2.577
 1743TIP3    H111538   1.610  -2.125  -2.646
 1743TIP3    H211539   1.608  -2.109  -2.496
 1744TIP3   OH211540   2.055  -2.466  -2.681
 1744TIP3    H111541   2.115  -2.542  -2.674
 1744TIP3    H211542   2.054  -2.450  -2.777
 1745TIP3   OH211543   2.150  -2.280  -2.494
 1745TIP3    H111544   2.115  -2.338  -2.565
 1745TIP3    H211545   2.083  -2.210  -2.489
 1746TIP3   OH211546   2.063  -0.575  -4.172
 1746TIP3    H111547   2.159  -0.560  -4.162
 1746TIP3    H211548   2.039  -0.513  -4.242
 1747TIP3   OH211549   1.449  -1.170  -4.195
 1747TIP3    H111550   1.539  -1.133  -4.197
 1747TIP3    H211551   1.444  -1.221  -4.277
 1748TIP3   OH211552   1.350  -0.616  -3.720
 1748TIP3    H111553   1.278  -0.652  -3.776
 1748TIP3    H211554   1.356  -0.684  -3.650
 1749TIP3   OH211555   1.388  -0.813  -3.520
 1749TIP3    H111556   1.357  -0.900  -3.488
 1749TIP3    H211557   1.422  -0.777  -3.437
 1750TIP3   OH211558   3.156  -0.688  -3.218
 1750TIP3    H111559   3.186  -0.687  -3.127
 1750TIP3    H211560   3.239  -0.664  -3.263
 1751TIP3   OH211561   3.101  -0.782  -2.907
 1751TIP3    H111562   3.078  -0.838  -2.982
 1751TIP3    H211563   3.193  -0.806  -2.888
 1752TIP3   OH211564   2.929  -1.167  -2.537
 1752TIP3    H111565   2.851  -1.195  -2.485
 1752TIP3    H211566   2.981  -1.121  -2.467
 1753TIP3   OH211567   3.067  -1.314  -3.930
 1753TIP3    H111568   3.157  -1.276  -3.919
 1753TIP3    H211569   3.067  -1.378  -3.856
 1754TIP3   OH211570   3.112  -1.511  -3.732
 1754TIP3    H111571   3.050  -1.572  -3.687
 1754TIP3    H211572   3.185  -1.502  -3.669
 1755TIP3   OH211573   3.087  -1.266  -3.241
 1755TIP3    H111574   3.153  -1.316  -3.291
 1755TIP3    H211575   3.109  -1.174  -3.266
 1756TIP3   OH211576   3.139  -1.551  -4.107
 1756TIP3    H111577   3.081  -1.516  -4.175
 1756TIP3    H211578   3.128  -1.483  -4.038
 1757TIP3   OH211579   2.963  -1.811  -4.218
 1757TIP3    H111580   2.997  -1.735  -4.268
 1757TIP3    H211581   3.009  -1.885  -4.260
 1758TIP3   OH211582   2.908  -1.701  -3.651
 1758TIP3    H111583   2.901  -1.797  -3.665
 1758TIP3    H211584   2.871  -1.691  -3.561
 1759TIP3   OH211585   1.405  -1.477  -3.276
 1759TIP3    H111586   1.428  -1.475  -3.370
 1759TIP3    H211587   1.488  -1.510  -3.236
 1760TIP3   OH211588   2.991  -1.465  -2.720
 1760TIP3    H111589   3.045  -1.546  -2.724
 1760TIP3    H211590   3.054  -1.399  -2.749
 1761TIP3   OH211591   3.119  -1.687  -2.620
 1761TIP3    H111592   3.044  -1.747  -2.642
 1761TIP3    H211593   3.194  -1.749  -2.618
 1762TIP3   OH211594   2.889  -2.130  -4.338
 1762TIP3    H111595   2.950  -2.156  -4.268
 1762TIP3    H2