annotate test-data/biobb_solvate_input.gro @ 2:4c626e984fde draft default tip

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Created with pdb2gmx building block
 1196
    1SER      N    1   2.270   1.214   5.506
    1SER     H1    2   2.288   1.242   5.411
    1SER     H2    3   2.354   1.220   5.559
    1SER     H3    4   2.237   1.120   5.507
    1SER     CA    5   2.167   1.304   5.566
    1SER     HA    6   2.083   1.294   5.512
    1SER     CB    7   2.138   1.263   5.710
    1SER    HB1    8   2.222   1.264   5.765
    1SER    HB2    9   2.097   1.172   5.713
    1SER     OG   10   2.046   1.352   5.771
    1SER     HG   11   2.029   1.323   5.865
    1SER      C   12   2.215   1.448   5.559
    1SER      O   13   2.326   1.480   5.601
    2GLU      N   14   2.130   1.536   5.505
    2GLU      H   15   2.041   1.504   5.472
    2GLU     CA   16   2.165   1.677   5.493
    2GLU     HA   17   2.205   1.702   5.581
    2GLU     CB   18   2.267   1.697   5.381
    2GLU    HB1   19   2.224   1.670   5.294
    2GLU    HB2   20   2.346   1.639   5.399
    2GLU     CG   21   2.315   1.841   5.367
    2GLU    HG1   22   2.354   1.870   5.454
    2GLU    HG2   23   2.237   1.899   5.343
    2GLU     CD   24   2.421   1.856   5.259
    2GLU    OE1   25   2.456   1.755   5.196
    2GLU    OE2   26   2.469   1.970   5.239
    2GLU      C   27   2.040   1.761   5.467
    2GLU      O   28   1.946   1.716   5.400
    3ALA      N   29   2.039   1.882   5.522
    3ALA      H   30   2.118   1.912   5.575
    3ALA     CA   31   1.926   1.971   5.505
    3ALA     HA   32   1.846   1.920   5.536
    3ALA     CB   33   1.944   2.096   5.591
    3ALA    HB1   34   1.865   2.157   5.578
    3ALA    HB2   35   1.951   2.070   5.687
    3ALA    HB3   36   2.027   2.144   5.563
    3ALA      C   37   1.909   2.009   5.359
    3ALA      O   38   1.988   2.085   5.303
    4GLU      N   39   1.805   1.955   5.299
    4GLU      H   40   1.745   1.894   5.351
    4GLU     CA   41   1.775   1.982   5.159
    4GLU     HA   42   1.859   1.961   5.108
    4GLU     CB   43   1.662   1.890   5.110
    4GLU    HB1   44   1.635   1.920   5.018
    4GLU    HB2   45   1.584   1.900   5.172
    4GLU     CG   46   1.700   1.743   5.102
    4GLU    HG1   47   1.727   1.713   5.194
    4GLU    HG2   48   1.777   1.733   5.040
    4GLU     CD   49   1.586   1.656   5.054
    4GLU    OE1   50   1.475   1.710   5.031
    4GLU    OE2   51   1.607   1.534   5.038
    4GLU      C   52   1.737   2.128   5.139
    4GLU      O   53   1.740   2.180   5.028
    5ASP      N   54   1.702   2.195   5.249
    5ASP      H   55   1.702   2.148   5.337
    5ASP     CA   56   1.664   2.336   5.242
    5ASP     HA   57   1.589   2.341   5.177
    5ASP     CB   58   1.618   2.385   5.380
    5ASP    HB1   59   1.612   2.485   5.378
    5ASP    HB2   60   1.686   2.358   5.448
    5ASP     CG   61   1.483   2.329   5.420
    5ASP    OD1   62   1.413   2.276   5.331
    5ASP    OD2   63   1.448   2.340   5.539
    5ASP      C   64   1.781   2.419   5.192
    5ASP      O   65   1.762   2.515   5.116
    6ALA      N   66   1.901   2.385   5.235
    6ALA      H   67   1.911   2.306   5.296
    6ALA     CA   68   2.019   2.460   5.196
    6ALA     HA   69   2.007   2.552   5.233
    6ALA     CB   70   2.144   2.396   5.254
    6ALA    HB1   71   2.224   2.449   5.226
    6ALA    HB2   72   2.138   2.396   5.354
    6ALA    HB3   73   2.153   2.302   5.221
    6ALA      C   74   2.028   2.466   5.044
    6ALA      O   75   2.029   2.364   4.976
    7SER      N   76   2.033   2.588   4.995
    7SER      H   77   2.031   2.666   5.057
    7SER     CA   78   2.041   2.612   4.852
    7SER     HA   79   1.973   2.552   4.811
    7SER     CB   80   2.008   2.758   4.820
    7SER    HB1   81   1.922   2.785   4.864
    7SER    HB2   82   2.001   2.772   4.722
    7SER     OG   83   2.109   2.845   4.868
    7SER     HG   84   2.085   2.940   4.846
    7SER      C   85   2.180   2.577   4.800
    7SER      O   86   2.270   2.543   4.876
    8LEU      N   87   2.194   2.586   4.669
    8LEU      H   88   2.116   2.615   4.613
    8LEU     CA   89   2.321   2.557   4.602
    8LEU     HA   90   2.338   2.460   4.621
    8LEU     CB   91   2.309   2.582   4.452
    8LEU    HB1   92   2.401   2.573   4.412
    8LEU    HB2   93   2.276   2.676   4.439
    8LEU     CG   94   2.216   2.489   4.374
    8LEU     HG   95   2.125   2.492   4.417
    8LEU    CD1   96   2.203   2.534   4.230
    8LEU   HD11   97   2.141   2.472   4.181
    8LEU   HD12   98   2.165   2.627   4.227
    8LEU   HD13   99   2.293   2.533   4.186
    8LEU    CD2  100   2.266   2.345   4.381
    8LEU   HD21  101   2.204   2.286   4.330
    8LEU   HD22  102   2.357   2.340   4.340
    8LEU   HD23  103   2.270   2.315   4.476
    8LEU      C  104   2.435   2.640   4.661
    8LEU      O  105   2.550   2.625   4.620
    9LEU      N  106   2.403   2.725   4.757
    9LEU      H  107   2.308   2.732   4.787
    9LEU     CA  108   2.503   2.808   4.823
    9LEU     HA  109   2.567   2.835   4.750
    9LEU     CB  110   2.439   2.933   4.883
    9LEU    HB1  111   2.509   2.982   4.934
    9LEU    HB2  112   2.367   2.902   4.946
    9LEU     CG  113   2.375   3.031   4.785
    9LEU     HG  114   2.308   2.982   4.730
    9LEU    CD1  115   2.304   3.143   4.859
    9LEU   HD11  116   2.263   3.206   4.793
    9LEU   HD12  117   2.232   3.104   4.917
    9LEU   HD13  118   2.370   3.192   4.916
    9LEU    CD2  119   2.480   3.088   4.691
    9LEU   HD21  120   2.437   3.152   4.627
    9LEU   HD22  121   2.550   3.136   4.744
    9LEU   HD23  122   2.523   3.014   4.639
    9LEU      C  123   2.577   2.728   4.930
    9LEU      O  124   2.675   2.775   4.988
   10SER      N  125   2.528   2.608   4.957
   10SER      H  126   2.448   2.574   4.907
   10SER     CA  127   2.589   2.523   5.060
   10SER     HA  128   2.591   2.580   5.142
   10SER     CB  129   2.506   2.397   5.082
   10SER    HB1  130   2.411   2.420   5.102
   10SER    HB2  131   2.543   2.342   5.157
   10SER     OG  132   2.506   2.315   4.966
   10SER     HG  133   2.451   2.233   4.983
   10SER      C  134   2.732   2.485   5.024
   10SER      O  135   2.826   2.523   5.093
   11PHE      N  136   2.747   2.409   4.917
   11PHE      H  137   2.667   2.381   4.864
   11PHE     CA  138   2.879   2.365   4.877
   11PHE     HA  139   2.906   2.294   4.943
   11PHE     CB  140   2.876   2.306   4.736
   11PHE    HB1  141   2.841   2.375   4.673
   11PHE    HB2  142   2.814   2.227   4.736
   11PHE     CG  143   3.010   2.260   4.686
   11PHE    CD1  144   3.063   2.139   4.726
   11PHE    HD1  145   3.012   2.081   4.789
   11PHE    CE1  146   3.186   2.097   4.680
   11PHE    HE1  147   3.224   2.010   4.710
   11PHE     CZ  148   3.258   2.177   4.592
   11PHE     HZ  149   3.347   2.147   4.559
   11PHE    CE2  150   3.206   2.297   4.552
   11PHE    HE2  151   3.257   2.355   4.488
   11PHE    CD2  152   3.082   2.339   4.598
   11PHE    HD2  153   3.046   2.427   4.568
   11PHE      C  154   2.978   2.481   4.884
   11PHE      O  155   3.087   2.467   4.938
   12MET      N  156   2.940   2.594   4.826
   12MET      H  157   2.849   2.600   4.784
   12MET     CA  158   3.028   2.710   4.824
   12MET     HA  159   3.114   2.678   4.784
   12MET     CB  160   2.968   2.822   4.739
   12MET    HB1  161   2.879   2.848   4.778
   12MET    HB2  162   2.955   2.788   4.646
   12MET     CG  163   3.054   2.947   4.731
   12MET    HG1  164   3.140   2.917   4.691
   12MET    HG2  165   3.069   2.974   4.827
   12MET     SD  166   2.977   3.079   4.636
   12MET     CE  167   2.846   3.130   4.747
   12MET    HE1  168   2.794   3.204   4.705
   12MET    HE2  169   2.785   3.052   4.764
   12MET    HE3  170   2.886   3.161   4.833
   12MET      C  171   3.055   2.761   4.965
   12MET      O  172   3.169   2.757   5.012
   13GLN      N  173   2.951   2.810   5.032
   13GLN      H  174   2.861   2.811   4.987
   13GLN     CA  175   2.964   2.863   5.168
   13GLN     HA  176   2.993   2.958   5.157
   13GLN     CB  177   2.830   2.857   5.241
   13GLN    HB1  178   2.803   2.761   5.251
   13GLN    HB2  179   2.762   2.905   5.186
   13GLN     CG  180   2.832   2.920   5.380
   13GLN    HG1  181   2.904   2.877   5.433
   13GLN    HG2  182   2.744   2.903   5.424
   13GLN     CD  183   2.857   3.069   5.375
   13GLN    OE1  184   2.786   3.143   5.307
   13GLN    NE2  185   2.958   3.114   5.449
   13GLN   HE21  186   3.012   3.050   5.504
   13GLN   HE22  187   2.979   3.212   5.451
   13GLN      C  188   3.071   2.786   5.246
   13GLN      O  189   3.164   2.845   5.301
   14GLY      N  190   3.056   2.654   5.251
   14GLY      H  191   2.978   2.611   5.205
   14GLY     CA  192   3.152   2.570   5.323
   14GLY    HA1  193   3.113   2.478   5.329
   14GLY    HA2  194   3.163   2.607   5.415
   14GLY      C  195   3.287   2.565   5.251
   14GLY      O  196   3.392   2.560   5.315
   15TYR      N  197   3.285   2.566   5.119
   15TYR      H  198   3.197   2.570   5.071
   15TYR     CA  199   3.409   2.560   5.042
   15TYR     HA  200   3.446   2.468   5.056
   15TYR     CB  201   3.381   2.583   4.893
   15TYR    HB1  202   3.336   2.671   4.882
   15TYR    HB2  203   3.321   2.510   4.860
   15TYR     CG  204   3.506   2.583   4.807
   15TYR    CD1  205   3.566   2.464   4.769
   15TYR    HD1  206   3.527   2.377   4.799
   15TYR    CE1  207   3.680   2.463   4.691
   15TYR    HE1  208   3.722   2.377   4.664
   15TYR     CZ  209   3.735   2.583   4.649
   15TYR     OH  210   3.848   2.582   4.571
   15TYR     HH  211   3.874   2.676   4.549
   15TYR    CE2  212   3.676   2.704   4.685
   15TYR    HE2  213   3.715   2.790   4.655
   15TYR    CD2  214   3.562   2.702   4.764
   15TYR    HD2  215   3.520   2.789   4.791
   15TYR      C  216   3.508   2.662   5.094
   15TYR      O  217   3.615   2.627   5.143
   16MET      N  218   3.473   2.788   5.081
   16MET      H  219   3.385   2.812   5.040
   16MET     CA  220   3.562   2.892   5.127
   16MET     HA  221   3.646   2.885   5.073
   16MET     CB  222   3.499   3.030   5.105
   16MET    HB1  223   3.556   3.098   5.151
   16MET    HB2  224   3.407   3.030   5.144
   16MET     CG  225   3.488   3.070   4.958
   16MET    HG1  226   3.443   3.160   4.960
   16MET    HG2  227   3.426   3.003   4.918
   16MET     SD  228   3.647   3.074   4.875
   16MET     CE  229   3.727   3.210   4.960
   16MET    HE1  230   3.819   3.223   4.922
   16MET    HE2  231   3.673   3.293   4.947
   16MET    HE3  232   3.734   3.189   5.057
   16MET      C  233   3.593   2.869   5.273
   16MET      O  234   3.703   2.900   5.319
   17LYS      N  235   3.498   2.811   5.345
   17LYS      H  236   3.410   2.788   5.303
   17LYS     CA  237   3.521   2.783   5.486
   17LYS     HA  238   3.547   2.870   5.528
   17LYS     CB  239   3.393   2.731   5.552
   17LYS    HB1  240   3.366   2.647   5.506
   17LYS    HB2  241   3.322   2.800   5.542
   17LYS     CG  242   3.408   2.701   5.700
   17LYS    HG1  243   3.438   2.784   5.748
   17LYS    HG2  244   3.477   2.629   5.712
   17LYS     CD  245   3.277   2.654   5.761
   17LYS    HD1  246   3.245   2.573   5.712
   17LYS    HD2  247   3.209   2.727   5.751
   17LYS     CE  248   3.292   2.620   5.908
   17LYS    HE1  249   3.323   2.702   5.958
   17LYS    HE2  250   3.360   2.547   5.918
   17LYS     NZ  251   3.164   2.575   5.969
   17LYS    HZ1  252   3.178   2.554   6.065
   17LYS    HZ2  253   3.096   2.647   5.960
   17LYS    HZ3  254   3.132   2.493   5.921
   17LYS      C  255   3.635   2.682   5.501
   17LYS      O  256   3.727   2.701   5.580
   18HIS      N  257   3.626   2.574   5.423
   18HIS      H  258   3.549   2.565   5.360
   18HIS     CA  259   3.727   2.468   5.427
   18HIS     HA  260   3.746   2.456   5.525
   18HIS     CB  261   3.672   2.339   5.366
   18HIS    HB1  262   3.650   2.356   5.270
   18HIS    HB2  263   3.589   2.312   5.415
   18HIS     CG  264   3.768   2.224   5.371
   18HIS    ND1  265   3.799   2.158   5.488
   18HIS    CE1  266   3.887   2.061   5.461
   18HIS    HE1  267   3.925   1.999   5.530
   18HIS    NE2  268   3.918   2.056   5.333
   18HIS    HE2  269   3.980   1.992   5.288
   18HIS    CD2  270   3.849   2.152   5.274
   18HIS    HD2  271   3.852   2.172   5.176
   18HIS      C  272   3.855   2.508   5.356
   18HIS      O  273   3.964   2.489   5.409
   19ALA      N  274   3.844   2.560   5.233
   19ALA      H  275   3.753   2.575   5.194
   19ALA     CA  276   3.963   2.597   5.156
   19ALA     HA  277   4.015   2.512   5.144
   19ALA     CB  278   3.924   2.653   5.020
   19ALA    HB1  279   4.006   2.677   4.969
   19ALA    HB2  280   3.872   2.584   4.969
   19ALA    HB3  281   3.867   2.734   5.033
   19ALA      C  282   4.049   2.697   5.230
   19ALA      O  283   4.169   2.710   5.204
   20THR      N  284   3.988   2.765   5.324
   20THR      H  285   3.891   2.751   5.340
   20THR     CA  286   4.062   2.862   5.404
   20THR     HA  287   4.108   2.922   5.338
   20THR     CB  288   3.968   2.945   5.492
   20THR     HB  289   3.912   2.886   5.550
   20THR    CG2  290   4.047   3.044   5.576
   20THR   HG21  291   3.984   3.098   5.632
   20THR   HG22  292   4.111   2.994   5.635
   20THR   HG23  293   4.098   3.106   5.516
   20THR    OG1  294   3.877   3.019   5.409
   20THR    HG1  295   3.815   3.073   5.466
   20THR      C  296   4.164   2.788   5.490
   20THR      O  297   4.262   2.847   5.536
   21LYS      N  298   4.142   2.658   5.508
   21LYS      H  299   4.061   2.616   5.468
   21LYS     CA  300   4.234   2.576   5.586
   21LYS     HA  301   4.246   2.624   5.672
   21LYS     CB  302   4.174   2.437   5.611
   21LYS    HB1  303   4.245   2.378   5.649
   21LYS    HB2  304   4.142   2.400   5.524
   21LYS     CG  305   4.056   2.437   5.707
   21LYS    HG1  306   3.984   2.496   5.671
   21LYS    HG2  307   4.087   2.473   5.796
   21LYS     CD  308   4.001   2.297   5.727
   21LYS    HD1  309   4.073   2.238   5.763
   21LYS    HD2  310   3.970   2.262   5.639
   21LYS     CE  311   3.884   2.297   5.824
   21LYS    HE1  312   3.812   2.358   5.789
   21LYS    HE2  313   3.915   2.330   5.913
   21LYS     NZ  314   3.825   2.161   5.840
   21LYS    HZ1  315   3.749   2.165   5.905
   21LYS    HZ2  316   3.793   2.128   5.752
   21LYS    HZ3  317   3.895   2.099   5.876
   21LYS      C  318   4.368   2.562   5.515
   21LYS      O  319   4.473   2.562   5.579
   22THR      N  320   4.364   2.549   5.383
   22THR      H  321   4.276   2.550   5.336
   22THR     CA  322   4.486   2.532   5.304
   22THR     HA  323   4.528   2.449   5.342
   22THR     CB  324   4.455   2.514   5.154
   22THR     HB  325   4.540   2.508   5.101
   22THR    CG2  326   4.369   2.391   5.132
   22THR   HG21  327   4.350   2.381   5.035
   22THR   HG22  328   4.418   2.310   5.165
   22THR   HG23  329   4.283   2.401   5.182
   22THR    OG1  330   4.384   2.629   5.106
   22THR    HG1  331   4.364   2.617   5.009
   22THR      C  332   4.581   2.651   5.321
   22THR      O  333   4.699   2.644   5.284
   23ALA      N  334   4.530   2.760   5.377
   23ALA      H  335   4.434   2.760   5.406
   23ALA     CA  336   4.610   2.880   5.399
   23ALA     HA  337   4.627   2.918   5.308
   23ALA     CB  338   4.533   2.980   5.483
   23ALA    HB1  339   4.589   3.062   5.497
   23ALA    HB2  340   4.448   3.006   5.436
   23ALA    HB3  341   4.511   2.939   5.572
   23ALA      C  342   4.743   2.845   5.466
   23ALA      O  343   4.848   2.884   5.418
   24LYS      N  344   4.737   2.770   5.576
   24LYS      H  345   4.648   2.741   5.610
   24LYS     CA  346   4.858   2.730   5.647
   24LYS     HA  347   4.896   2.813   5.687
   24LYS     CB  348   4.823   2.632   5.760
   24LYS    HB1  349   4.781   2.551   5.719
   24LYS    HB2  350   4.758   2.676   5.821
   24LYS     CG  351   4.943   2.587   5.842
   24LYS    HG1  352   4.988   2.668   5.880
   24LYS    HG2  353   5.007   2.538   5.783
   24LYS     CD  354   4.901   2.496   5.956
   24LYS    HD1  355   4.854   2.416   5.918
   24LYS    HD2  356   4.838   2.546   6.016
   24LYS     CE  357   5.021   2.449   6.037
   24LYS    HE1  358   5.068   2.529   6.075
   24LYS    HE2  359   5.083   2.399   5.977
   24LYS     NZ  360   4.980   2.360   6.149
   24LYS    HZ1  361   5.062   2.331   6.200
   24LYS    HZ2  362   4.918   2.408   6.210
   24LYS    HZ3  363   4.934   2.279   6.112
   24LYS      C  364   4.959   2.667   5.550
   24LYS      O  365   5.062   2.725   5.518
   25ASP      N  366   4.929   2.544   5.509
   25ASP      H  367   4.843   2.502   5.540
   25ASP     CA  368   5.017   2.470   5.420
   25ASP     HA  369   5.097   2.443   5.474
   25ASP     CB  370   4.947   2.344   5.369
   25ASP    HB1  371   5.001   2.305   5.294
   25ASP    HB2  372   4.856   2.369   5.335
   25ASP     CG  373   4.931   2.238   5.476
   25ASP    OD1  374   4.996   2.250   5.582
   25ASP    OD2  375   4.853   2.143   5.455
   25ASP      C  376   5.059   2.560   5.306
   25ASP      O  377   5.176   2.562   5.267
   26ALA      N  378   4.964   2.637   5.254
   26ALA      H  379   4.871   2.631   5.289
   26ALA     CA  380   4.995   2.730   5.147
   26ALA     HA  381   5.042   2.677   5.076
   26ALA     CB  382   4.867   2.788   5.088
   26ALA    HB1  383   4.890   2.852   5.015
   26ALA    HB2  384   4.811   2.714   5.052
   26ALA    HB3  385   4.817   2.836   5.160
   26ALA      C  386   5.086   2.842   5.200
   26ALA      O  387   5.179   2.884   5.132
   27LEU      N  388   5.058   2.889   5.321
   27LEU      H  389   4.981   2.850   5.372
   27LEU     CA  390   5.138   2.997   5.381
   27LEU     HA  391   5.132   3.074   5.318
   27LEU     CB  392   5.082   3.035   5.518
   27LEU    HB1  393   5.081   2.953   5.575
   27LEU    HB2  394   4.989   3.068   5.505
   27LEU     CG  395   5.159   3.143   5.595
   27LEU     HG  396   5.254   3.113   5.606
   27LEU    CD1  397   5.159   3.274   5.517
   27LEU   HD11  398   5.210   3.343   5.568
   27LEU   HD12  399   5.203   3.260   5.428
   27LEU   HD13  400   5.065   3.305   5.503
   27LEU    CD2  401   5.099   3.164   5.733
   27LEU   HD21  402   5.150   3.235   5.781
   27LEU   HD22  403   5.003   3.193   5.724
   27LEU   HD23  404   5.104   3.079   5.785
   27LEU      C  405   5.284   2.956   5.394
   27LEU      O  406   5.374   3.031   5.357
   28SER      N  407   5.306   2.837   5.444
   28SER      H  408   5.229   2.779   5.472
   28SER     CA  409   5.442   2.787   5.459
   28SER     HA  410   5.490   2.850   5.520
   28SER     CB  411   5.442   2.648   5.523
   28SER    HB1  412   5.389   2.648   5.608
   28SER    HB2  413   5.535   2.618   5.541
   28SER     OG  414   5.383   2.553   5.436
   28SER     HG  415   5.384   2.463   5.480
   28SER      C  416   5.508   2.786   5.322
   28SER      O  417   5.629   2.800   5.309
   29SER      N  418   5.425   2.769   5.220
   29SER      H  419   5.327   2.758   5.236
   29SER     CA  420   5.477   2.766   5.082
   29SER     HA  421   5.556   2.705   5.085
   29SER     CB  422   5.371   2.712   4.986
   29SER    HB1  423   5.404   2.716   4.892
   29SER    HB2  424   5.286   2.763   4.995
   29SER     OG  425   5.341   2.576   5.015
   29SER     HG  426   5.272   2.543   4.951
   29SER      C  427   5.522   2.906   5.037
   29SER      O  428   5.563   2.924   4.922
   30VAL      N  429   5.512   3.005   5.125
   30VAL      H  430   5.477   2.985   5.217
   30VAL     CA  431   5.550   3.143   5.090
   30VAL     HA  432   5.487   3.166   5.016
   30VAL     CB  433   5.532   3.238   5.210
   30VAL     HB  434   5.443   3.222   5.251
   30VAL    CG1  435   5.638   3.212   5.316
   30VAL   HG11  436   5.625   3.274   5.392
   30VAL   HG12  437   5.630   3.117   5.348
   30VAL   HG13  438   5.729   3.226   5.276
   30VAL    CG2  439   5.538   3.383   5.163
   30VAL   HG21  440   5.526   3.444   5.242
   30VAL   HG22  441   5.626   3.401   5.120
   30VAL   HG23  442   5.465   3.400   5.097
   30VAL      C  443   5.695   3.152   5.040
   30VAL      O  444   5.743   3.261   5.009
   31GLN      N  445   5.764   3.038   5.032
   31GLN      H  446   5.720   2.953   5.059
   31GLN     CA  447   5.904   3.036   4.986
   31GLN     HA  448   5.959   3.073   5.061
   31GLN     CB  449   5.948   2.893   4.955
   31GLN    HB1  450   5.892   2.858   4.879
   31GLN    HB2  451   5.932   2.837   5.037
   31GLN     CG  452   6.094   2.879   4.917
   31GLN    HG1  453   6.113   2.940   4.840
   31GLN    HG2  454   6.112   2.784   4.890
   31GLN     CD  455   6.188   2.916   5.031
   31GLN    OE1  456   6.174   2.866   5.142
   31GLN    NE2  457   6.284   3.003   5.002
   31GLN   HE21  458   6.291   3.041   4.910
   31GLN   HE22  459   6.349   3.031   5.073
   31GLN      C  460   5.923   3.124   4.862
   31GLN      O  461   6.035   3.157   4.825
   32GLU      N  462   5.813   3.164   4.802
   32GLU      H  463   5.723   3.134   4.836
   32GLU     CA  464   5.820   3.251   4.687
   32GLU     HA  465   5.892   3.215   4.627
   32GLU     CB  466   5.687   3.251   4.610
   32GLU    HB1  467   5.691   3.320   4.539
   32GLU    HB2  468   5.614   3.273   4.674
   32GLU     CG  469   5.654   3.117   4.545
   32GLU    HG1  470   5.650   3.047   4.615
   32GLU    HG2  471   5.726   3.095   4.479
   32GLU     CD  472   5.521   3.120   4.472
   32GLU    OE1  473   5.452   3.224   4.478
   32GLU    OE2  474   5.486   3.018   4.409
   32GLU      C  475   5.856   3.392   4.733
   32GLU      O  476   5.878   3.482   4.652
   33SER      N  477   5.863   3.409   4.865
   33SER      H  478   5.844   3.333   4.926
   33SER     CA  479   5.899   3.539   4.922
   33SER     HA  480   5.832   3.604   4.888
   33SER     CB  481   5.893   3.534   5.075
   33SER    HB1  482   5.804   3.498   5.105
   33SER    HB2  483   5.907   3.625   5.114
   33SER     OG  484   5.993   3.449   5.128
   33SER     HG  485   5.987   3.448   5.227
   33SER      C  486   6.038   3.579   4.876
   33SER      O  487   6.076   3.696   4.884
   34GLN      N  488   6.114   3.482   4.827
   34GLN      H  489   6.078   3.389   4.822
   34GLN     CA  490   6.248   3.512   4.781
   34GLN     HA  491   6.299   3.542   4.862
   34GLN     CB  492   6.314   3.386   4.724
   34GLN    HB1  493   6.263   3.358   4.643
   34GLN    HB2  494   6.310   3.314   4.793
   34GLN     CG  495   6.459   3.405   4.684
   34GLN    HG1  496   6.465   3.481   4.619
   34GLN    HG2  497   6.492   3.321   4.640
   34GLN     CD  498   6.549   3.435   4.802
   34GLN    OE1  499   6.547   3.364   4.903
   34GLN    NE2  500   6.629   3.541   4.791
   34GLN   HE21  501   6.627   3.596   4.707
   34GLN   HE22  502   6.690   3.566   4.866
   34GLN      C  503   6.245   3.623   4.677
   34GLN      O  504   6.348   3.679   4.641
   35VAL      N  505   6.124   3.655   4.628
   35VAL      H  506   6.044   3.606   4.661
   35VAL     CA  507   6.107   3.760   4.527
   35VAL     HA  508   6.145   3.720   4.444
   35VAL     CB  509   5.959   3.795   4.506
   35VAL     HB  510   5.906   3.711   4.496
   35VAL    CG1  511   5.905   3.870   4.627
   35VAL   HG11  512   5.808   3.892   4.612
   35VAL   HG12  513   5.913   3.812   4.708
   35VAL   HG13  514   5.957   3.954   4.640
   35VAL    CG2  515   5.941   3.878   4.380
   35VAL   HG21  516   5.844   3.900   4.368
   35VAL   HG22  517   5.994   3.962   4.387
   35VAL   HG23  518   5.973   3.825   4.301
   35VAL      C  519   6.186   3.886   4.564
   35VAL      O  520   6.199   3.978   4.484
   36ALA      N  521   6.242   3.889   4.685
   36ALA      H  522   6.229   3.813   4.748
   36ALA     CA  523   6.323   4.004   4.727
   36ALA     HA  524   6.260   4.081   4.744
   36ALA     CB  525   6.397   3.973   4.856
   36ALA    HB1  526   6.451   4.052   4.883
   36ALA    HB2  527   6.331   3.951   4.928
   36ALA    HB3  528   6.457   3.894   4.842
   36ALA      C  529   6.420   4.040   4.615
   36ALA      O  530   6.411   4.148   4.557
   37GLN      N  531   6.513   3.949   4.587
   37GLN      H  532   6.515   3.863   4.638
   37GLN     CA  533   6.613   3.974   4.483
   37GLN     HA  534   6.681   4.034   4.524
   37GLN     CB  535   6.679   3.843   4.441
   37GLN    HB1  536   6.609   3.784   4.399
   37GLN    HB2  537   6.716   3.798   4.522
   37GLN     CG  538   6.792   3.860   4.340
   37GLN    HG1  539   6.757   3.910   4.261
   37GLN    HG2  540   6.823   3.769   4.311
   37GLN     CD  541   6.910   3.935   4.397
   37GLN    OE1  542   6.964   3.898   4.501
   37GLN    NE2  543   6.950   4.042   4.329
   37GLN   HE21  544   6.903   4.068   4.245
   37GLN   HE22  545   7.028   4.096   4.363
   37GLN      C  546   6.547   4.043   4.363
   37GLN      O  547   6.606   4.132   4.303
   38GLN      N  548   6.424   4.002   4.330
   38GLN      H  549   6.380   3.929   4.382
   38GLN     CA  550   6.352   4.065   4.219
   38GLN     HA  551   6.408   4.055   4.136
   38GLN     CB  552   6.219   3.993   4.194
   38GLN    HB1  553   6.162   4.005   4.275
   38GLN    HB2  554   6.238   3.896   4.181
   38GLN     CG  555   6.143   4.045   4.074
   38GLN    HG1  556   6.130   4.144   4.083
   38GLN    HG2  557   6.053   4.000   4.071
   38GLN     CD  558   6.214   4.017   3.943
   38GLN    OE1  559   6.249   3.903   3.913
   38GLN    NE2  560   6.237   4.122   3.865
   38GLN   HE21  561   6.206   4.213   3.893
   38GLN   HE22  562   6.284   4.111   3.777
   38GLN      C  563   6.332   4.212   4.253
   38GLN      O  564   6.380   4.300   4.182
   39ALA      N  565   6.264   4.237   4.364
   39ALA      H  566   6.227   4.162   4.418
   39ALA     CA  567   6.242   4.375   4.407
   39ALA     HA  568   6.177   4.418   4.345
   39ALA     CB  569   6.182   4.377   4.547
   39ALA    HB1  570   6.168   4.472   4.575
   39ALA    HB2  571   6.094   4.329   4.546
   39ALA    HB3  572   6.244   4.332   4.611
   39ALA      C  573   6.376   4.447   4.402
   39ALA      O  574   6.390   4.549   4.335
   40ARG      N  575   6.474   4.391   4.472
   40ARG      H  576   6.456   4.308   4.525
   40ARG     CA  577   6.609   4.449   4.474
   40ARG     HA  578   6.600   4.541   4.512
   40ARG     CB  579   6.702   4.366   4.563
   40ARG    HB1  580   6.795   4.398   4.550
   40ARG    HB2  581   6.695   4.270   4.536
   40ARG     CG  582   6.670   4.376   4.712
   40ARG    HG1  583   6.575   4.346   4.727
   40ARG    HG2  584   6.680   4.470   4.741
   40ARG     CD  585   6.763   4.288   4.794
   40ARG    HD1  586   6.857   4.316   4.779
   40ARG    HD2  587   6.752   4.192   4.766
   40ARG     NE  588   6.734   4.297   4.937
   40ARG     HE  589   6.666   4.364   4.967
   40ARG     CZ  590   6.793   4.222   5.030
   40ARG    NH1  591   6.761   4.238   5.157
   40ARG   HH11  592   6.693   4.306   5.184
   40ARG   HH12  593   6.806   4.182   5.227
   40ARG    NH2  594   6.884   4.133   4.995
   40ARG   HH21  595   6.908   4.121   4.898
   40ARG   HH22  596   6.929   4.076   5.064
   40ARG      C  597   6.664   4.457   4.332
   40ARG      O  598   6.770   4.514   4.307
   41GLY      N  599   6.587   4.402   4.241
   41GLY      H  600   6.502   4.356   4.270
   41GLY     CA  601   6.620   4.405   4.100
   41GLY    HA1  602   6.568   4.332   4.054
   41GLY    HA2  603   6.718   4.388   4.090
   41GLY      C  604   6.583   4.542   4.042
   41GLY      O  605   6.667   4.613   3.989
   42TRP      N  606   6.454   4.574   4.050
   42TRP      H  607   6.391   4.511   4.095
   42TRP     CA  608   6.402   4.701   3.995
   42TRP     HA  609   6.401   4.687   3.896
   42TRP     CB  610   6.261   4.728   4.047
   42TRP    HB1  611   6.236   4.822   4.024
   42TRP    HB2  612   6.261   4.717   4.147
   42TRP     CG  613   6.157   4.637   3.990
   42TRP    CD1  614   6.092   4.536   4.054
   42TRP    HD1  615   6.107   4.510   4.149
   42TRP    NE1  616   6.003   4.475   3.969
   42TRP    HE1  617   5.944   4.398   3.992
   42TRP    CE2  618   6.010   4.537   3.847
   42TRP    CZ2  619   5.940   4.511   3.729
   42TRP    HZ2  620   5.872   4.437   3.724
   42TRP    CH2  621   5.966   4.589   3.621
   42TRP    HH2  622   5.918   4.573   3.535
   42TRP    CZ3  623   6.061   4.692   3.627
   42TRP    HZ3  624   6.078   4.748   3.546
   42TRP    CE3  625   6.131   4.719   3.744
   42TRP    HE3  626   6.198   4.792   3.747
   42TRP    CD2  627   6.105   4.640   3.856
   42TRP      C  628   6.494   4.819   4.028
   42TRP      O  629   6.488   4.923   3.964
   43VAL      N  630   6.580   4.801   4.128
   43VAL      H  631   6.581   4.714   4.177
   43VAL     CA  632   6.673   4.907   4.166
   43VAL     HA  633   6.615   4.985   4.190
   43VAL     CB  634   6.758   4.867   4.288
   43VAL     HB  635   6.801   4.779   4.270
   43VAL    CG1  636   6.868   4.969   4.312
   43VAL   HG11  637   6.922   4.942   4.391
   43VAL   HG12  638   6.927   4.974   4.231
   43VAL   HG13  639   6.827   5.059   4.329
   43VAL    CG2  640   6.670   4.853   4.411
   43VAL   HG21  641   6.727   4.826   4.489
   43VAL   HG22  642   6.625   4.940   4.430
   43VAL   HG23  643   6.601   4.782   4.395
   43VAL      C  644   6.764   4.943   4.047
   43VAL      O  645   6.783   5.060   4.014
   44THR      N  646   6.820   4.839   3.986
   44THR      H  647   6.800   4.747   4.018
   44THR     CA  648   6.910   4.858   3.873
   44THR     HA  649   6.984   4.916   3.908
   44THR     CB  650   6.968   4.724   3.824
   44THR     HB  651   6.895   4.661   3.801
   44THR    CG2  652   7.059   4.747   3.704
   44THR   HG21  653   7.096   4.659   3.673
   44THR   HG22  654   7.007   4.789   3.630
   44THR   HG23  655   7.135   4.807   3.730
   44THR    OG1  656   7.044   4.663   3.929
   44THR    HG1  657   7.082   4.576   3.897
   44THR      C  658   6.837   4.929   3.760
   44THR      O  659   6.893   5.016   3.694
   45ASP      N  660   6.712   4.891   3.740
   45ASP      H  661   6.672   4.820   3.797
   45ASP     CA  662   6.632   4.952   3.635
   45ASP     HA  663   6.693   4.959   3.556
   45ASP     CB  664   6.511   4.865   3.602
   45ASP    HB1  665   6.451   4.915   3.540
   45ASP    HB2  666   6.462   4.843   3.686
   45ASP     CG  667   6.550   4.734   3.535
   45ASP    OD1  668   6.658   4.730   3.471
   45ASP    OD2  669   6.474   4.636   3.546
   45ASP      C  670   6.586   5.092   3.677
   45ASP      O  671   6.499   5.151   3.613
   46GLY      N  672   6.647   5.145   3.783
   46GLY      H  673   6.718   5.093   3.831
   46GLY     CA  674   6.612   5.279   3.829
   46GLY    HA1  675   6.624   5.343   3.752
   46GLY    HA2  676   6.674   5.304   3.903
   46GLY      C  677   6.467   5.284   3.877
   46GLY      O  678   6.389   5.368   3.833
   47PHE      N  679   6.433   5.196   3.971
   47PHE      H  680   6.500   5.130   4.004
   47PHE     CA  681   6.297   5.194   4.026
   47PHE     HA  682   6.239   5.159   3.953
   47PHE     CB  683   6.290   5.102   4.148
   47PHE    HB1  684   6.331   5.014   4.124
   47PHE    HB2  685   6.194   5.088   4.172
   47PHE     CG  686   6.362   5.155   4.269
   47PHE    CD1  687   6.296   5.236   4.359
   47PHE    HD1  688   6.200   5.260   4.344
   47PHE    CE1  689   6.362   5.285   4.470
   47PHE    HE1  690   6.313   5.344   4.535
   47PHE     CZ  691   6.494   5.253   4.492
   47PHE     HZ  692   6.542   5.288   4.573
   47PHE    CE2  693   6.560   5.172   4.403
   47PHE    HE2  694   6.656   5.148   4.419
   47PHE    CD2  695   6.494   5.123   4.292
   47PHE    HD2  696   6.543   5.064   4.227
   47PHE      C  697   6.252   5.335   4.064
   47PHE      O  698   6.133   5.362   4.075
   48SER      N  699   6.349   5.423   4.087
   48SER      H  700   6.445   5.395   4.076
   48SER     CA  701   6.319   5.560   4.127
   48SER     HA  702   6.286   5.553   4.221
   48SER     CB  703   6.444   5.647   4.120
   48SER    HB1  704   6.519   5.606   4.173
   48SER    HB2  705   6.426   5.739   4.156
   48SER     OG  706   6.489   5.661   3.987
   48SER     HG  707   6.571   5.719   3.985
   48SER      C  708   6.210   5.619   4.040
   48SER      O  709   6.138   5.709   4.083
   49SER      N  710   6.198   5.570   3.917
   49SER      H  711   6.258   5.496   3.888
   49SER     CA  712   6.097   5.622   3.826
   49SER     HA  713   6.124   5.717   3.808
   49SER     CB  714   6.098   5.542   3.695
   49SER    HB1  715   6.190   5.537   3.657
   49SER    HB2  716   6.035   5.583   3.629
   49SER     OG  717   6.054   5.409   3.717
   49SER     HG  718   6.055   5.359   3.630
   49SER      C  719   5.960   5.618   3.890
   49SER      O  720   5.864   5.676   3.837
   50LEU      N  721   5.950   5.553   4.006
   50LEU      H  722   6.030   5.508   4.044
   50LEU     CA  723   5.823   5.548   4.078
   50LEU     HA  724   5.751   5.540   4.009
   50LEU     CB  725   5.819   5.425   4.169
   50LEU    HB1  726   5.736   5.432   4.225
   50LEU    HB2  727   5.900   5.428   4.228
   50LEU     CG  728   5.816   5.289   4.099
   50LEU     HG  729   5.895   5.283   4.038
   50LEU    CD1  730   5.826   5.176   4.201
   50LEU   HD11  731   5.824   5.088   4.153
   50LEU   HD12  732   5.912   5.185   4.252
   50LEU   HD13  733   5.749   5.182   4.264
   50LEU    CD2  734   5.690   5.274   4.015
   50LEU   HD21  735   5.690   5.184   3.970
   50LEU   HD22  736   5.610   5.281   4.074
   50LEU   HD23  737   5.687   5.346   3.946
   50LEU      C  738   5.805   5.677   4.158
   50LEU      O  739   5.693   5.723   4.178
   51LYS      N  740   5.917   5.733   4.205
   51LYS      H  741   6.005   5.690   4.185
   51LYS     CA  742   5.914   5.857   4.284
   51LYS     HA  743   5.863   5.835   4.367
   51LYS     CB  744   6.056   5.900   4.320
   51LYS    HB1  745   6.107   5.918   4.235
   51LYS    HB2  746   6.101   5.826   4.370
   51LYS     CG  747   6.063   6.026   4.405
   51LYS    HG1  748   6.010   6.011   4.488
   51LYS    HG2  749   6.024   6.102   4.354
   51LYS     CD  750   6.206   6.059   4.443
   51LYS    HD1  751   6.260   6.072   4.359
   51LYS    HD2  752   6.245   5.984   4.495
   51LYS     CE  753   6.213   6.186   4.526
   51LYS    HE1  754   6.160   6.174   4.610
   51LYS    HE2  755   6.175   6.262   4.474
   51LYS     NZ  756   6.353   6.220   4.564
   51LYS    HZ1  757   6.353   6.304   4.619
   51LYS    HZ2  758   6.392   6.146   4.617
   51LYS    HZ3  759   6.407   6.235   4.481
   51LYS      C  760   5.842   5.967   4.208
   51LYS      O  761   5.732   6.007   4.244
   52ASP      N  762   5.906   6.017   4.102
   52ASP      H  763   5.996   5.981   4.077
   52ASP     CA  764   5.846   6.124   4.022
   52ASP     HA  765   5.858   6.209   4.074
   52ASP     CB  766   5.919   6.138   3.888
   52ASP    HB1  767   5.865   6.198   3.828
   52ASP    HB2  768   5.927   6.048   3.846
   52ASP     CG  769   6.058   6.197   3.903
   52ASP    OD1  770   6.088   6.252   4.011
   52ASP    OD2  771   6.136   6.188   3.806
   52ASP      C  772   5.698   6.095   4.001
   52ASP      O  773   5.612   6.177   4.035
   53TYR      N  774   5.668   5.979   3.945
   53TYR      H  775   5.742   5.917   3.919
   53TYR     CA  776   5.530   5.941   3.919
   53TYR     HA  777   5.492   6.013   3.860
   53TYR     CB  778   5.524   5.806   3.847
   53TYR    HB1  779   5.567   5.737   3.904
   53TYR    HB2  780   5.573   5.814   3.761
   53TYR     CG  781   5.383   5.760   3.816
   53TYR    CD1  782   5.313   5.813   3.709
   53TYR    HD1  783   5.355   5.883   3.651
   53TYR    CE1  784   5.184   5.771   3.680
   53TYR    HE1  785   5.135   5.810   3.602
   53TYR     CZ  786   5.124   5.675   3.759
   53TYR     OH  787   4.997   5.633   3.730
   53TYR     HH  788   4.969   5.563   3.796
   53TYR    CE2  789   5.193   5.620   3.867
   53TYR    HE2  790   5.150   5.550   3.924
   53TYR    CD2  791   5.321   5.663   3.894
   53TYR    HD2  792   5.371   5.624   3.972
   53TYR      C  793   5.451   5.936   4.050
   53TYR      O  794   5.338   5.984   4.057
   54TRP      N  795   5.510   5.877   4.154
   54TRP      H  796   5.602   5.839   4.143
   54TRP     CA  797   5.443   5.868   4.283
   54TRP     HA  798   5.353   5.828   4.264
   54TRP     CB  799   5.521   5.777   4.378
   54TRP    HB1  800   5.613   5.815   4.391
   54TRP    HB2  801   5.529   5.686   4.337
   54TRP     CG  802   5.458   5.761   4.513
   54TRP    CD1  803   5.363   5.670   4.548
   54TRP    HD1  804   5.324   5.601   4.487
   54TRP    NE1  805   5.329   5.687   4.680
   54TRP    HE1  806   5.261   5.632   4.730
   54TRP    CE2  807   5.402   5.791   4.732
   54TRP    CZ2  808   5.402   5.845   4.861
   54TRP    HZ2  809   5.343   5.808   4.932
   54TRP    CH2  810   5.486   5.950   4.885
   54TRP    HH2  811   5.489   5.991   4.976
   54TRP    CZ3  812   5.569   6.001   4.784
   54TRP    HZ3  813   5.630   6.078   4.805
   54TRP    CE3  814   5.569   5.947   4.657
   54TRP    HE3  815   5.629   5.985   4.586
   54TRP    CD2  816   5.484   5.840   4.629
   54TRP      C  817   5.426   6.007   4.344
   54TRP      O  818   5.315   6.048   4.378
   55SER      N  819   5.537   6.079   4.357
   55SER      H  820   5.624   6.039   4.327
   55SER     CA  821   5.536   6.213   4.414
   55SER     HA  822   5.514   6.202   4.511
   55SER     CB  823   5.673   6.279   4.399
   55SER    HB1  824   5.745   6.220   4.438
   55SER    HB2  825   5.675   6.368   4.445
   55SER     OG  826   5.705   6.301   4.263
   55SER     HG  827   5.795   6.344   4.256
   55SER      C  828   5.429   6.298   4.346
   55SER      O  829   5.367   6.383   4.410
   56THR      N  830   5.407   6.273   4.218
   56THR      H  831   5.461   6.203   4.171
   56THR     CA  832   5.306   6.348   4.144
   56THR     HA  833   5.318   6.443   4.173
   56THR     CB  834   5.327   6.336   3.992
   56THR     HB  835   5.253   6.381   3.942
   56THR    CG2  836   5.462   6.396   3.952
   56THR   HG21  837   5.474   6.387   3.853
   56THR   HG22  838   5.465   6.492   3.978
   56THR   HG23  839   5.535   6.346   3.999
   56THR    OG1  840   5.325   6.198   3.953
   56THR    HG1  841   5.339   6.191   3.854
   56THR      C  842   5.167   6.297   4.181
   56THR      O  843   5.094   6.362   4.256
   57VAL      N  844   5.129   6.180   4.127
   57VAL      H  845   5.193   6.131   4.067
   57VAL     CA  846   4.997   6.122   4.155
   57VAL     HA  847   4.935   6.170   4.093
   57VAL     CB  848   4.995   5.971   4.124
   57VAL     HB  849   5.070   5.926   4.173
   57VAL    CG1  850   4.864   5.909   4.172
   57VAL   HG11  851   4.864   5.811   4.151
   57VAL   HG12  852   4.855   5.922   4.271
   57VAL   HG13  853   4.787   5.953   4.125
   57VAL    CG2  854   5.014   5.946   3.975
   57VAL   HG21  855   5.012   5.848   3.957
   57VAL   HG22  856   4.941   5.991   3.924
   57VAL   HG23  857   5.103   5.984   3.946
   57VAL      C  858   4.955   6.146   4.299
   57VAL      O  859   4.858   6.216   4.326
   58GLU      N  860   5.029   6.087   4.393
   58GLU      H  861   5.107   6.031   4.366
   58GLU     CA  862   4.998   6.104   4.534
   58GLU     HA  863   4.916   6.048   4.551
   58GLU     CB  864   5.113   6.054   4.621
   58GLU    HB1  865   5.195   6.109   4.600
   58GLU    HB2  866   5.131   5.958   4.599
   58GLU     CG  867   5.087   6.064   4.771
   58GLU    HG1  868   5.062   6.158   4.793
   58GLU    HG2  869   5.171   6.040   4.820
   58GLU     CD  870   4.976   5.972   4.817
   58GLU    OE1  871   4.946   5.875   4.745
   58GLU    OE2  872   4.920   5.997   4.925
   58GLU      C  873   4.967   6.250   4.565
   58GLU      O  874   4.858   6.283   4.611
   59ASP      N  875   5.064   6.337   4.540
   59ASP      H  876   5.151   6.305   4.503
   59ASP     CA  877   5.045   6.480   4.566
   59ASP     HA  878   5.026   6.487   4.664
   59ASP     CB  879   5.172   6.558   4.531
   59ASP    HB1  880   5.151   6.655   4.531
   59ASP    HB2  881   5.203   6.530   4.440
   59ASP     CG  882   5.284   6.533   4.630
   59ASP    OD1  883   5.257   6.478   4.739
   59ASP    OD2  884   5.400   6.568   4.599
   59ASP      C  885   4.927   6.532   4.486
   59ASP      O  886   4.843   6.605   4.539
   60LYS      N  887   4.921   6.497   4.358
   60LYS      H  888   4.992   6.437   4.321
   60LYS     CA  889   4.813   6.543   4.272
   60LYS     HA  890   4.809   6.642   4.284
   60LYS     CB  891   4.842   6.508   4.126
   60LYS    HB1  892   4.761   6.528   4.072
   60LYS    HB2  893   4.863   6.410   4.120
   60LYS     CG  894   4.959   6.585   4.067
   60LYS    HG1  895   5.042   6.565   4.120
   60LYS    HG2  896   4.940   6.683   4.071
   60LYS     CD  897   4.983   6.546   3.922
   60LYS    HD1  898   4.901   6.565   3.869
   60LYS    HD2  899   5.003   6.448   3.917
   60LYS     CE  900   5.100   6.622   3.862
   60LYS    HE1  901   5.182   6.604   3.915
   60LYS    HE2  902   5.080   6.720   3.864
   60LYS     NZ  903   5.126   6.583   3.721
   60LYS    HZ1  904   5.203   6.636   3.685
   60LYS    HZ2  905   5.147   6.486   3.716
   60LYS    HZ3  906   5.044   6.602   3.665
   60LYS      C  907   4.680   6.483   4.314
   60LYS      O  908   4.574   6.522   4.265
   61PHE      N  909   4.686   6.389   4.406
   61PHE      H  910   4.774   6.360   4.443
   61PHE     CA  911   4.564   6.327   4.454
   61PHE     HA  912   4.515   6.292   4.374
   61PHE     CB  913   4.596   6.210   4.548
   61PHE    HB1  914   4.646   6.245   4.627
   61PHE    HB2  915   4.653   6.144   4.499
   61PHE     CG  916   4.474   6.138   4.598
   61PHE    CD1  917   4.405   6.051   4.516
   61PHE    HD1  918   4.435   6.037   4.422
   61PHE    CE1  919   4.293   5.984   4.562
   61PHE    HE1  920   4.243   5.922   4.502
   61PHE     CZ  921   4.250   6.003   4.692
   61PHE     HZ  922   4.169   5.955   4.726
   61PHE    CE2  923   4.318   6.089   4.774
   61PHE    HE2  924   4.287   6.103   4.868
   61PHE    CD2  925   4.430   6.156   4.728
   61PHE    HD2  926   4.479   6.218   4.789
   61PHE      C  927   4.480   6.433   4.524
   61PHE      O  928   4.357   6.421   4.532
   62SER      N  929   4.547   6.537   4.572
   62SER      H  930   4.646   6.541   4.562
   62SER     CA  931   4.476   6.647   4.639
   62SER     HA  932   4.417   6.603   4.707
   62SER     CB  933   4.576   6.740   4.709
   62SER    HB1  934   4.639   6.779   4.643
   62SER    HB2  935   4.627   6.690   4.779
   62SER     OG  936   4.509   6.847   4.773
   62SER     HG  937   4.576   6.906   4.818
   62SER      C  938   4.391   6.725   4.540
   62SER      O  939   4.272   6.746   4.561
   63GLU      N  940   4.455   6.770   4.432
   63GLU      H  941   4.552   6.749   4.420
   63GLU     CA  942   4.386   6.849   4.330
   63GLU     HA  943   4.329   6.912   4.381
   63GLU     CB  944   4.488   6.925   4.243
   63GLU    HB1  945   4.439   6.966   4.167
   63GLU    HB2  946   4.555   6.859   4.208
   63GLU     CG  947   4.563   7.034   4.317
   63GLU    HG1  948   4.611   6.994   4.395
   63GLU    HG2  949   4.496   7.102   4.350
   63GLU     CD  950   4.664   7.105   4.229
   63GLU    OE1  951   4.686   7.059   4.115
   63GLU    OE2  952   4.720   7.207   4.274
   63GLU      C  953   4.298   6.763   4.241
   63GLU      O  954   4.196   6.809   4.190
   64PHE      N  955   4.338   6.638   4.219
   64PHE      H  956   4.422   6.605   4.263
   64PHE     CA  957   4.263   6.549   4.132
   64PHE     HA  958   4.261   6.594   4.043
   64PHE     CB  959   4.331   6.413   4.122
   64PHE    HB1  960   4.336   6.372   4.213
   64PHE    HB2  961   4.424   6.426   4.086
   64PHE     CG  962   4.261   6.316   4.031
   64PHE    CD1  963   4.273   6.326   3.894
   64PHE    HD1  964   4.330   6.398   3.854
   64PHE    CE1  965   4.208   6.237   3.811
   64PHE    HE1  966   4.218   6.244   3.711
   64PHE     CZ  967   4.130   6.137   3.865
   64PHE     HZ  968   4.083   6.072   3.805
   64PHE    CE2  969   4.117   6.126   4.001
   64PHE    HE2  970   4.060   6.054   4.040
   64PHE    CD2  971   4.182   6.215   4.084
   64PHE    HD2  972   4.172   6.207   4.183
   64PHE      C  973   4.120   6.533   4.183
   64PHE      O  974   4.037   6.470   4.117
   65TRP      N  975   4.092   6.590   4.299
   65TRP      H  976   4.163   6.640   4.348
   65TRP     CA  977   3.958   6.582   4.355
   65TRP     HA  978   3.926   6.489   4.336
   65TRP     CB  979   3.962   6.605   4.506
   65TRP    HB1  980   3.998   6.696   4.524
   65TRP    HB2  981   4.021   6.536   4.548
   65TRP     CG  982   3.827   6.595   4.572
   65TRP    CD1  983   3.766   6.482   4.618
   65TRP    HD1  984   3.806   6.390   4.614
   65TRP    NE1  985   3.644   6.513   4.671
   65TRP    HE1  986   3.580   6.447   4.712
   65TRP    CE2  987   3.623   6.648   4.660
   65TRP    CZ2  988   3.514   6.725   4.699
   65TRP    HZ2  989   3.435   6.684   4.744
   65TRP    CH2  990   3.520   6.860   4.676
   65TRP    HH2  991   3.444   6.918   4.703
   65TRP    CZ3  992   3.632   6.917   4.613
   65TRP    HZ3  993   3.633   7.016   4.597
   65TRP    CE3  994   3.740   6.841   4.574
   65TRP    HE3  995   3.819   6.883   4.530
   65TRP    CD2  996   3.736   6.703   4.598
   65TRP      C  997   3.866   6.684   4.287
   65TRP      O  998   3.758   6.650   4.239
   66ASP      N  999   3.911   6.809   4.282
   66ASP      H 1000   4.000   6.831   4.324
   66ASP     CA 1001   3.835   6.917   4.218
   66ASP     HA 1002   3.738   6.893   4.230
   66ASP     CB 1003   3.863   7.051   4.286
   66ASP    HB1 1004   3.960   7.073   4.275
   66ASP    HB2 1005   3.842   7.043   4.384
   66ASP     CG 1006   3.781   7.164   4.228
   66ASP    OD1 1007   3.714   7.142   4.125
   66ASP    OD2 1008   3.783   7.275   4.286
   66ASP      C 1009   3.868   6.924   4.070
   66ASP      O 1010   3.980   6.957   4.031
   67LEU      N 1011   3.768   6.894   3.988
   67LEU      H 1012   3.680   6.868   4.028
   67LEU     CA 1013   3.783   6.896   3.844
   67LEU     HA 1014   3.878   6.875   3.824
   67LEU     CB 1015   3.693   6.791   3.779
   67LEU    HB1 1016   3.704   6.797   3.680
   67LEU    HB2 1017   3.598   6.812   3.803
   67LEU     CG 1018   3.719   6.645   3.819
   67LEU     HG 1019   3.711   6.638   3.919
   67LEU    CD1 1020   3.617   6.552   3.756
   67LEU   HD11 1021   3.636   6.458   3.783
   67LEU   HD12 1022   3.525   6.578   3.786
   67LEU   HD13 1023   3.622   6.560   3.656
   67LEU    CD2 1024   3.860   6.603   3.780
   67LEU   HD21 1025   3.875   6.508   3.807
   67LEU   HD22 1026   3.871   6.612   3.681
   67LEU   HD23 1027   3.926   6.662   3.826
   67LEU      C 1028   3.749   7.035   3.792
   67LEU      O 1029   3.733   7.129   3.870
   68ASP      N 1030   3.742   7.049   3.660
   68ASP      H 1031   3.757   6.969   3.602
   68ASP     CA 1032   3.714   7.178   3.599
   68ASP     HA 1033   3.790   7.238   3.623
   68ASP     CB 1034   3.709   7.165   3.446
   68ASP    HB1 1035   3.673   7.249   3.408
   68ASP    HB2 1036   3.649   7.088   3.423
   68ASP     CG 1037   3.846   7.139   3.386
   68ASP    OD1 1038   3.947   7.155   3.458
   68ASP    OD2 1039   3.852   7.104   3.266
   68ASP      C 1040   3.582   7.233   3.654
   68ASP      O 1041   3.507   7.160   3.718
   69PRO      N 1042   3.555   7.360   3.633
   69PRO     CD 1043   3.628   7.454   3.540
   69PRO    HD1 1044   3.613   7.429   3.445
   69PRO    HD2 1045   3.726   7.455   3.560
   69PRO     CG 1046   3.564   7.586   3.571
   69PRO    HG1 1047   3.567   7.646   3.491
   69PRO    HG2 1048   3.612   7.631   3.647
   69PRO     CB 1049   3.423   7.557   3.610
   69PRO    HB1 1050   3.366   7.549   3.528
   69PRO    HB2 1051   3.387   7.630   3.668
   69PRO     CA 1052   3.431   7.424   3.686
   69PRO     HA 1053   3.435   7.436   3.785
   69PRO      C 1054   3.308   7.339   3.660
   69PRO      O 1055   3.201   7.363   3.717
   70GLU      N 1056   3.324   7.236   3.577
   70GLU      H 1057   3.413   7.221   3.533
   70GLU     CA 1058   3.214   7.144   3.548
   70GLU     HA 1059   3.139   7.168   3.610
   70GLU     CB 1060   3.166   7.161   3.403
   70GLU    HB1 1061   3.097   7.091   3.385
   70GLU    HB2 1062   3.245   7.147   3.343
   70GLU     CG 1063   3.107   7.297   3.373
   70GLU    HG1 1064   3.096   7.306   3.274
   70GLU    HG2 1065   3.169   7.368   3.406
   70GLU     CD 1066   2.971   7.318   3.439
   70GLU    OE1 1067   2.890   7.223   3.438
   70GLU    OE2 1068   2.947   7.428   3.491
   70GLU      C 1069   3.257   7.000   3.574
   70GLU      O 1070   3.336   6.943   3.498
   71VAL      N 1071   3.203   6.940   3.680
   71VAL      H 1072   3.140   6.991   3.738
   71VAL     CA 1073   3.234   6.802   3.713
   71VAL     HA 1074   3.321   6.781   3.668
   71VAL     CB 1075   3.251   6.782   3.865
   71VAL     HB 1076   3.165   6.806   3.911
   71VAL    CG1 1077   3.283   6.637   3.896
   71VAL   HG11 1078   3.294   6.626   3.995
   71VAL   HG12 1079   3.209   6.578   3.864
   71VAL   HG13 1080   3.368   6.611   3.850
   71VAL    CG2 1081   3.360   6.874   3.918
   71VAL   HG21 1082   3.370   6.860   4.017
   71VAL   HG22 1083   3.446   6.853   3.872
   71VAL   HG23 1084   3.335   6.969   3.900
   71VAL      C 1085   3.123   6.712   3.658
   71VAL      O 1086   3.024   6.686   3.727
   72ARG      N 1087   3.140   6.665   3.534
   72ARG      H 1088   3.223   6.691   3.484
   72ARG     CA 1089   3.041   6.578   3.470
   72ARG     HA 1090   2.976   6.554   3.542
   72ARG     CB 1091   2.971   6.651   3.356
   72ARG    HB1 1092   2.912   6.586   3.308
   72ARG    HB2 1093   3.040   6.686   3.293
   72ARG     CG 1094   2.885   6.768   3.401
   72ARG    HG1 1095   2.942   6.833   3.452
   72ARG    HG2 1096   2.812   6.734   3.461
   72ARG     CD 1097   2.822   6.839   3.283
   72ARG    HD1 1098   2.758   6.778   3.236
   72ARG    HD2 1099   2.893   6.869   3.219
   72ARG     NE 1100   2.747   6.958   3.324
   72ARG     HE 1101   2.796   7.045   3.329
   72ARG     CZ 1102   2.618   6.958   3.355
   72ARG    NH1 1103   2.558   7.071   3.391
   72ARG   HH11 1104   2.610   7.156   3.395
   72ARG   HH12 1105   2.461   7.070   3.414
   72ARG    NH2 1106   2.548   6.845   3.349
   72ARG   HH21 1107   2.593   6.760   3.322
   72ARG   HH22 1108   2.451   6.845   3.373
   72ARG      C 1109   3.107   6.450   3.417
   72ARG      O 1110   3.224   6.453   3.381
   73PRO      N 1111   3.036   6.339   3.408
   73PRO     CD 1112   2.901   6.311   3.463
   73PRO    HD1 1113   2.835   6.379   3.431
   73PRO    HD2 1114   2.902   6.310   3.563
   73PRO     CG 1115   2.868   6.175   3.408
   73PRO    HG1 1116   2.823   6.183   3.320
   73PRO    HG2 1117   2.810   6.125   3.472
   73PRO     CB 1118   2.999   6.105   3.392
   73PRO    HB1 1119   2.993   6.035   3.320
   73PRO    HB2 1120   3.026   6.061   3.478
   73PRO     CA 1121   3.097   6.215   3.353
   73PRO     HA 1122   3.189   6.200   3.390
   73PRO      C 1123   3.113   6.226   3.201
   73PRO      O 1124   3.187   6.148   3.140
   74THR      N 1125   3.041   6.320   3.140
   74THR      H 1126   2.982   6.380   3.194
   74THR     CA 1127   3.046   6.336   2.994
   74THR     HA 1128   3.053   6.242   2.961
   74THR     CB 1129   2.918   6.405   2.941
   74THR     HB 1130   2.904   6.493   2.987
   74THR    CG2 1131   2.927   6.424   2.791
   74THR   HG21 1132   2.844   6.469   2.758
   74THR   HG22 1133   3.006   6.481   2.768
   74THR   HG23 1134   2.936   6.335   2.746
   74THR    OG1 1135   2.804   6.325   2.971
   74THR    HG1 1136   2.722   6.370   2.937
   74THR      C 1137   3.167   6.416   2.949
   74THR      O 1138   3.255   6.363   2.882
   75SER      N 1139   3.168   6.543   2.984
   75SER      H 1140   3.093   6.580   3.039
   75SER     CA 1141   3.277   6.631   2.943
   75SER     HA 1142   3.276   6.629   2.843
   75SER     CB 1143   3.253   6.773   2.994
   75SER    HB1 1144   3.332   6.832   2.973
   75SER    HB2 1145   3.236   6.773   3.092
   75SER     OG 1146   3.140   6.831   2.931
   75SER     HG 1147   3.126   6.924   2.966
   75SER      C 1148   3.410   6.578   2.994
   75SER      O 1149   3.511   6.585   2.925
   76ALA      N 1150   3.410   6.524   3.116
   76ALA      H 1151   3.325   6.521   3.168
   76ALA     CA 1152   3.532   6.470   3.173
   76ALA     HA 1153   3.595   6.547   3.184
   76ALA     CB 1154   3.504   6.408   3.309
   76ALA    HB1 1155   3.589   6.371   3.347
   76ALA    HB2 1156   3.468   6.478   3.370
   76ALA    HB3 1157   3.437   6.334   3.299
   76ALA      C 1158   3.593   6.366   3.078
   76ALA      O 1159   3.705   6.384   3.030
   77VAL      N 1160   3.520   6.258   3.055
   77VAL      H 1161   3.430   6.249   3.097
   77VAL     CA 1162   3.570   6.152   2.968
   77VAL     HA 1163   3.656   6.122   3.009
   77VAL     CB 1164   3.472   6.033   2.962
   77VAL     HB 1165   3.381   6.067   2.938
   77VAL    CG1 1166   3.514   5.934   2.855
   77VAL   HG11 1167   3.450   5.858   2.852
   77VAL   HG12 1168   3.516   5.979   2.766
   77VAL   HG13 1169   3.606   5.900   2.876
   77VAL    CG2 1170   3.462   5.965   3.098
   77VAL   HG21 1171   3.398   5.888   3.092
   77VAL   HG22 1172   3.553   5.931   3.124
   77VAL   HG23 1173   3.430   6.031   3.166
   77VAL      C 1174   3.595   6.206   2.827
   77VAL      O 1175   3.702   6.185   2.771
   78ALA      N 1176   3.497   6.277   2.772
   78ALA      H 1177   3.412   6.291   2.823
   78ALA     CA 1178   3.512   6.335   2.639
   78ALA     HA 1179   3.543   6.261   2.580
   78ALA     CB 1180   3.379   6.388   2.589
   78ALA    HB1 1181   3.390   6.427   2.498
   78ALA    HB2 1182   3.313   6.312   2.585
   78ALA    HB3 1183   3.345   6.458   2.651
   78ALA      C 1184   3.616   6.447   2.641
   78ALA      O 1185   3.657   6.497   2.537
   79ALA      N 1186   3.659   6.483   2.762
   79ALA      H 1187   3.622   6.438   2.843
   79ALA     CA 1188   3.758   6.589   2.778
   79ALA     HA 1189   3.839   6.559   2.727
   79ALA     CB 1190   3.706   6.720   2.720
   79ALA    HB1 1191   3.775   6.791   2.732
   79ALA    HB2 1192   3.687   6.708   2.622
   79ALA    HB3 1193   3.622   6.746   2.767
   79ALA      C 1194   3.794   6.608   2.925
   79ALA    OC1 1195   3.732   6.692   2.989
   79ALA    OC2 1196   3.881   6.537   2.972
   9.00078   9.00078   9.00078