annotate test-data/newbox.gro @ 2:f2faba46d680 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"

LYSOZYME
 2194
    1LYS      N    1   4.434   3.396   2.469
    1LYS     H1    2   4.510   3.450   2.431
    1LYS     H2    3   4.368   3.376   2.397
    1LYS     H3    4   4.390   3.448   2.542
    1LYS     CA    5   4.487   3.269   2.524
    1LYS     HA    6   4.531   3.217   2.451
    1LYS     CB    7   4.585   3.306   2.636
    1LYS    HB1    8   4.661   3.357   2.597
    1LYS    HB2    9   4.537   3.363   2.703
    1LYS     CG   10   4.643   3.187   2.711
    1LYS    HG1   11   4.574   3.151   2.773
    1LYS    HG2   12   4.668   3.116   2.644
    1LYS     CD   13   4.767   3.227   2.790
    1LYS    HD1   14   4.843   3.245   2.727
    1LYS    HD2   15   4.747   3.309   2.843
    1LYS     CE   16   4.804   3.113   2.883
    1LYS    HE1   17   4.739   3.108   2.959
    1LYS    HE2   18   4.804   3.026   2.834
    1LYS     NZ   19   4.940   3.139   2.937
    1LYS    HZ1   20   4.967   3.065   2.999
    1LYS    HZ2   21   5.006   3.144   2.861
    1LYS    HZ3   22   4.940   3.226   2.987
    1LYS      C   23   4.372   3.188   2.583
    1LYS      O   24   4.293   3.243   2.659
    2VAL      N   25   4.372   3.058   2.563
    2VAL      H   26   4.434   3.022   2.493
    2VAL     CA   27   4.288   2.962   2.634
    2VAL     HA   28   4.215   3.014   2.677
    2VAL     CB   29   4.212   2.865   2.544
    2VAL     HB   30   4.284   2.814   2.497
    2VAL    CG1   31   4.123   2.770   2.624
    2VAL   HG11   32   4.075   2.709   2.561
    2VAL   HG12   33   4.180   2.717   2.686
    2VAL   HG13   34   4.056   2.823   2.676
    2VAL    CG2   35   4.127   2.933   2.438
    2VAL   HG21   36   4.081   2.864   2.383
    2VAL   HG22   37   4.060   2.992   2.482
    2VAL   HG23   38   4.186   2.989   2.379
    2VAL      C   39   4.378   2.893   2.738
    2VAL      O   40   4.474   2.823   2.701
    3PHE      N   41   4.347   2.917   2.863
    3PHE      H   42   4.273   2.981   2.883
    3PHE     CA   43   4.417   2.852   2.975
    3PHE     HA   44   4.513   2.859   2.950
    3PHE     CB   45   4.395   2.925   3.108
    3PHE    HB1   46   4.303   2.964   3.109
    3PHE    HB2   47   4.404   2.860   3.183
    3PHE     CG   48   4.492   3.036   3.129
    3PHE    CD1   49   4.465   3.167   3.087
    3PHE    HD1   50   4.379   3.187   3.040
    3PHE    CD2   51   4.598   3.018   3.220
    3PHE    HD2   52   4.611   2.928   3.262
    3PHE    CE1   53   4.556   3.270   3.110
    3PHE    HE1   54   4.546   3.357   3.063
    3PHE    CE2   55   4.685   3.121   3.251
    3PHE    HE2   56   4.764   3.104   3.310
    3PHE     CZ   57   4.662   3.249   3.200
    3PHE     HZ   58   4.720   3.326   3.228
    3PHE      C   59   4.372   2.706   2.990
    3PHE      O   60   4.250   2.678   2.981
    4GLY      N   61   4.470   2.626   3.034
    4GLY      H   62   4.565   2.657   3.035
    4GLY     CA   63   4.435   2.490   3.080
    4GLY    HA1   64   4.360   2.454   3.024
    4GLY    HA2   65   4.514   2.430   3.073
    4GLY      C   66   4.390   2.504   3.225
    4GLY      O   67   4.428   2.602   3.289
    5ARG      N   68   4.303   2.416   3.270
    5ARG      H   69   4.269   2.346   3.207
    5ARG     CA   70   4.254   2.416   3.408
    5ARG     HA   71   4.196   2.496   3.415
    5ARG     CB   72   4.174   2.288   3.434
    5ARG    HB1   73   4.098   2.284   3.370
    5ARG    HB2   74   4.234   2.209   3.420
    5ARG     CG   75   4.119   2.282   3.575
    5ARG    HG1   76   4.195   2.279   3.640
    5ARG    HG2   77   4.063   2.363   3.592
    5ARG     CD   78   4.036   2.162   3.595
    5ARG    HD1   79   4.002   2.161   3.689
    5ARG    HD2   80   3.958   2.167   3.532
    5ARG     NE   81   4.104   2.037   3.571
    5ARG     HE   82   4.100   2.002   3.478
    5ARG     CZ   83   4.171   1.963   3.657
    5ARG    NH1   84   4.182   1.995   3.786
    5ARG   HH11   85   4.137   2.078   3.820
    5ARG   HH12   86   4.234   1.937   3.848
    5ARG    NH2   87   4.223   1.846   3.614
    5ARG   HH21   88   4.209   1.817   3.520
    5ARG   HH22   89   4.274   1.788   3.677
    5ARG      C   90   4.365   2.435   3.511
    5ARG      O   91   4.365   2.527   3.597
    6CYS      N   92   4.465   2.347   3.506
    6CYS      H   93   4.465   2.278   3.434
    6CYS     CA   94   4.576   2.349   3.602
    6CYS     HA   95   4.529   2.364   3.689
    6CYS     CB   96   4.647   2.215   3.605
    6CYS    HB1   97   4.668   2.196   3.509
    6CYS    HB2   98   4.732   2.234   3.654
    6CYS     SG   99   4.552   2.082   3.681
    6CYS      C  100   4.673   2.467   3.589
    6CYS      O  101   4.713   2.523   3.693
    7GLU      N  102   4.684   2.510   3.465
    7GLU      H  103   4.638   2.462   3.391
    7GLU     CA  104   4.766   2.631   3.436
    7GLU     HA  105   4.858   2.617   3.474
    7GLU     CB  106   4.776   2.647   3.285
    7GLU    HB1  107   4.821   2.564   3.250
    7GLU    HB2  108   4.683   2.651   3.250
    7GLU     CG  109   4.852   2.767   3.229
    7GLU    HG1  110   4.811   2.849   3.268
    7GLU    HG2  111   4.947   2.760   3.260
    7GLU     CD  112   4.856   2.786   3.080
    7GLU    OE1  113   4.765   2.726   3.018
    7GLU    OE2  114   4.940   2.857   3.029
    7GLU      C  115   4.703   2.755   3.501
    7GLU      O  116   4.772   2.835   3.566
    8LEU      N  117   4.572   2.767   3.485
    8LEU      H  118   4.524   2.697   3.432
    8LEU     CA  119   4.494   2.878   3.542
    8LEU     HA  120   4.538   2.963   3.511
    8LEU     CB  121   4.351   2.879   3.486
    8LEU    HB1  122   4.355   2.884   3.386
    8LEU    HB2  123   4.304   2.795   3.514
    8LEU     CG  124   4.270   2.997   3.536
    8LEU     HG  125   4.276   3.004   3.636
    8LEU    CD1  126   4.328   3.128   3.483
    8LEU   HD11  127   4.274   3.205   3.517
    8LEU   HD12  128   4.422   3.137   3.514
    8LEU   HD13  129   4.325   3.127   3.383
    8LEU    CD2  130   4.123   2.976   3.507
    8LEU   HD21  131   4.070   3.055   3.541
    8LEU   HD22  132   4.109   2.967   3.409
    8LEU   HD23  133   4.091   2.893   3.553
    8LEU      C  134   4.503   2.875   3.694
    8LEU      O  135   4.514   2.979   3.759
    9ALA      N  136   4.473   2.760   3.750
    9ALA      H  137   4.444   2.684   3.691
    9ALA     CA  138   4.482   2.738   3.895
    9ALA     HA  139   4.406   2.788   3.936
    9ALA     CB  140   4.464   2.591   3.929
    9ALA    HB1  141   4.470   2.578   4.028
    9ALA    HB2  142   4.374   2.560   3.897
    9ALA    HB3  143   4.535   2.537   3.885
    9ALA      C  144   4.612   2.793   3.951
    9ALA      O  145   4.613   2.860   4.057
   10ALA      N  146   4.725   2.760   3.887
   10ALA      H  147   4.718   2.701   3.807
   10ALA     CA  148   4.859   2.805   3.929
   10ALA     HA  149   4.867   2.781   4.025
   10ALA     CB  150   4.969   2.733   3.851
   10ALA    HB1  151   5.058   2.765   3.882
   10ALA    HB2  152   4.962   2.634   3.868
   10ALA    HB3  153   4.958   2.751   3.753
   10ALA      C  154   4.872   2.956   3.913
   10ALA      O  155   4.917   3.012   4.014
   11ALA      N  156   4.821   3.014   3.806
   11ALA      H  157   4.779   2.957   3.734
   11ALA     CA  158   4.824   3.160   3.789
   11ALA     HA  159   4.921   3.185   3.800
   11ALA     CB  160   4.785   3.204   3.649
   11ALA    HB1  161   4.789   3.304   3.643
   11ALA    HB2  162   4.848   3.164   3.583
   11ALA    HB3  163   4.692   3.173   3.630
   11ALA      C  164   4.747   3.232   3.899
   11ALA      O  165   4.793   3.328   3.962
   12MET      N  166   4.627   3.183   3.926
   12MET      H  167   4.595   3.104   3.874
   12MET     CA  168   4.538   3.240   4.028
   12MET     HA  169   4.532   3.337   4.006
   12MET     CB  170   4.397   3.183   4.019
   12MET    HB1  171   4.402   3.083   4.015
   12MET    HB2  172   4.344   3.212   4.098
   12MET     CG  173   4.330   3.234   3.894
   12MET    HG1  174   4.330   3.334   3.900
   12MET    HG2  175   4.388   3.206   3.817
   12MET     SD  176   4.161   3.161   3.890
   12MET     CE  177   4.077   3.276   3.781
   12MET    HE1  178   3.982   3.247   3.770
   12MET    HE2  179   4.080   3.367   3.820
   12MET    HE3  180   4.122   3.276   3.692
   12MET      C  181   4.597   3.234   4.168
   12MET      O  182   4.589   3.326   4.251
   13LYS      N  183   4.667   3.125   4.198
   13LYS      H  184   4.672   3.053   4.129
   13LYS     CA  185   4.737   3.101   4.325
   13LYS     HA  186   4.673   3.108   4.402
   13LYS     CB  187   4.791   2.957   4.324
   13LYS    HB1  188   4.714   2.894   4.317
   13LYS    HB2  189   4.850   2.947   4.244
   13LYS     CG  190   4.872   2.917   4.447
   13LYS    HG1  191   4.949   2.861   4.417
   13LYS    HG2  192   4.907   3.001   4.490
   13LYS     CD  193   4.795   2.840   4.550
   13LYS    HD1  194   4.820   2.873   4.641
   13LYS    HD2  195   4.697   2.853   4.535
   13LYS     CE  196   4.827   2.693   4.542
   13LYS    HE1  197   4.866   2.672   4.452
   13LYS    HE2  198   4.894   2.669   4.613
   13LYS     NZ  199   4.706   2.608   4.562
   13LYS    HZ1  200   4.731   2.512   4.555
   13LYS    HZ2  201   4.666   2.627   4.652
   13LYS    HZ3  202   4.638   2.630   4.491
   13LYS      C  203   4.844   3.209   4.340
   13LYS      O  204   4.849   3.276   4.445
   14ARG      N  205   4.925   3.225   4.236
   14ARG      H  206   4.909   3.171   4.153
   14ARG     CA  207   5.037   3.320   4.238
   14ARG     HA  208   5.087   3.297   4.322
   14ARG     CB  209   5.137   3.297   4.127
   14ARG    HB1  210   5.226   3.324   4.162
   14ARG    HB2  211   5.137   3.199   4.107
   14ARG     CG  212   5.115   3.370   3.996
   14ARG    HG1  213   5.043   3.324   3.944
   14ARG    HG2  214   5.088   3.464   4.014
   14ARG     CD  215   5.242   3.369   3.916
   14ARG    HD1  216   5.234   3.431   3.838
   14ARG    HD2  217   5.319   3.399   3.973
   14ARG     NE  218   5.267   3.233   3.868
   14ARG     HE  219   5.328   3.173   3.920
   14ARG     CZ  220   5.208   3.188   3.756
   14ARG    NH1  221   5.167   3.281   3.669
   14ARG   HH11  222   5.182   3.378   3.689
   14ARG   HH12  223   5.123   3.253   3.584
   14ARG    NH2  224   5.193   3.058   3.736
   14ARG   HH21  225   5.226   2.992   3.804
   14ARG   HH22  226   5.149   3.025   3.652
   14ARG      C  227   4.991   3.464   4.255
   14ARG      O  228   5.054   3.545   4.325
   15HIS      N  229   4.866   3.487   4.213
   15HIS      H  230   4.812   3.411   4.177
   15HIS     CA  231   4.806   3.621   4.220
   15HIS     HA  232   4.886   3.681   4.221
   15HIS     CB  233   4.720   3.654   4.095
   15HIS    HB1  234   4.671   3.572   4.065
   15HIS    HB2  235   4.655   3.726   4.117
   15HIS     CG  236   4.806   3.701   3.984
   15HIS    ND1  237   4.844   3.626   3.876
   15HIS    CD2  238   4.872   3.819   3.966
   15HIS    HD2  239   4.864   3.901   4.023
   15HIS    CE1  240   4.919   3.693   3.793
   15HIS    HE1  241   4.947   3.666   3.701
   15HIS    NE2  242   4.950   3.804   3.856
   15HIS    HE2  243   5.022   3.868   3.827
   15HIS      C  244   4.729   3.648   4.348
   15HIS      O  245   4.659   3.750   4.362
   16GLY      N  246   4.728   3.555   4.439
   16GLY      H  247   4.767   3.467   4.413
   16GLY     CA  248   4.674   3.564   4.574
   16GLY    HA1  249   4.723   3.496   4.629
   16GLY    HA2  250   4.697   3.656   4.607
   16GLY      C  251   4.524   3.542   4.588
   16GLY      O  252   4.463   3.602   4.680
   17LEU      N  253   4.464   3.469   4.494
   17LEU      H  254   4.520   3.432   4.420
   17LEU     CA  255   4.322   3.442   4.497
   17LEU     HA  256   4.284   3.526   4.536
   17LEU     CB  257   4.263   3.427   4.357
   17LEU    HB1  258   4.323   3.366   4.306
   17LEU    HB2  259   4.173   3.384   4.367
   17LEU     CG  260   4.243   3.551   4.273
   17LEU     HG  261   4.331   3.598   4.265
   17LEU    CD1  262   4.191   3.504   4.137
   17LEU   HD11  263   4.177   3.583   4.078
   17LEU   HD12  264   4.258   3.443   4.096
   17LEU   HD13  265   4.105   3.455   4.150
   17LEU    CD2  266   4.154   3.657   4.335
   17LEU   HD21  267   4.146   3.735   4.273
   17LEU   HD22  268   4.063   3.618   4.351
   17LEU   HD23  269   4.193   3.687   4.422
   17LEU      C  270   4.283   3.330   4.594
   17LEU      O  271   4.162   3.321   4.622
   18ASP      N  272   4.376   3.243   4.628
   18ASP      H  273   4.469   3.253   4.590
   18ASP     CA  274   4.347   3.134   4.720
   18ASP     HA  275   4.270   3.090   4.674
   18ASP     CB  276   4.454   3.025   4.727
   18ASP    HB1  277   4.481   3.000   4.634
   18ASP    HB2  278   4.533   3.060   4.777
   18ASP     CG  279   4.400   2.903   4.798
   18ASP    OD1  280   4.279   2.877   4.812
   18ASP    OD2  281   4.490   2.822   4.833
   18ASP      C  282   4.299   3.184   4.857
   18ASP      O  283   4.381   3.240   4.933
   19ASN      N  284   4.173   3.161   4.887
   19ASN      H  285   4.117   3.111   4.822
   19ASN     CA  286   4.110   3.205   5.012
   19ASN     HA  287   4.027   3.151   5.001
   19ASN     CB  288   4.175   3.162   5.144
   19ASN    HB1  289   4.172   3.063   5.148
   19ASN    HB2  290   4.270   3.193   5.142
   19ASN     CG  291   4.114   3.213   5.273
   19ASN    OD1  292   3.995   3.189   5.302
   19ASN    ND2  293   4.183   3.298   5.352
   19ASN   HD21  294   4.274   3.328   5.326
   19ASN   HD22  295   4.142   3.331   5.437
   19ASN      C  296   4.083   3.356   5.017
   19ASN      O  297   4.041   3.402   5.124
   20TYR      N  298   4.095   3.427   4.908
   20TYR      H  299   4.122   3.382   4.822
   20TYR     CA  300   4.069   3.572   4.908
   20TYR     HA  301   4.128   3.612   4.978
   20TYR     CB  302   4.105   3.636   4.774
   20TYR    HB1  303   4.196   3.605   4.747
   20TYR    HB2  304   4.039   3.607   4.705
   20TYR     CG  305   4.104   3.787   4.781
   20TYR    CD1  306   4.212   3.851   4.843
   20TYR    HD1  307   4.285   3.796   4.885
   20TYR    CD2  308   3.996   3.862   4.736
   20TYR    HD2  309   3.916   3.817   4.697
   20TYR    CE1  310   4.219   3.990   4.846
   20TYR    HE1  311   4.302   4.036   4.878
   20TYR    CE2  312   4.000   4.002   4.745
   20TYR    HE2  313   3.925   4.057   4.708
   20TYR     CZ  314   4.108   4.064   4.805
   20TYR     OH  315   4.112   4.199   4.820
   20TYR     HH  316   4.026   4.238   4.786
   20TYR      C  317   3.921   3.596   4.943
   20TYR      O  318   3.827   3.549   4.879
   21ARG      N  319   3.907   3.676   5.047
   21ARG      H  320   3.989   3.710   5.093
   21ARG     CA  321   3.775   3.717   5.099
   21ARG     HA  322   3.795   3.767   5.183
   21ARG     CB  323   3.699   3.819   5.012
   21ARG    HB1  324   3.706   3.789   4.917
   21ARG    HB2  325   3.603   3.818   5.040
   21ARG     CG  326   3.749   3.961   5.021
   21ARG    HG1  327   3.849   3.960   5.017
   21ARG    HG2  328   3.713   4.011   4.941
   21ARG     CD  329   3.709   4.037   5.144
   21ARG    HD1  330   3.645   4.111   5.121
   21ARG    HD2  331   3.667   3.977   5.211
   21ARG     NE  332   3.830   4.094   5.199
   21ARG     HE  333   3.852   4.053   5.288
   21ARG     CZ  334   3.920   4.185   5.165
   21ARG    NH1  335   4.048   4.148   5.152
   21ARG   HH11  336   4.074   4.052   5.168
   21ARG   HH12  337   4.118   4.215   5.126
   21ARG    NH2  338   3.892   4.306   5.116
   21ARG   HH21  339   3.797   4.334   5.104
   21ARG   HH22  340   3.966   4.368   5.093
   21ARG      C  341   3.694   3.593   5.129
   21ARG      O  342   3.571   3.595   5.128
   22GLY      N  343   3.767   3.487   5.167
   22GLY      H  344   3.866   3.492   5.159
   22GLY     CA  345   3.708   3.364   5.219
   22GLY    HA1  346   3.775   3.323   5.282
   22GLY    HA2  347   3.626   3.389   5.269
   22GLY      C  348   3.673   3.264   5.111
   22GLY      O  349   3.606   3.164   5.145
   23TYR      N  350   3.719   3.285   4.989
   23TYR      H  351   3.777   3.365   4.971
   23TYR     CA  352   3.687   3.194   4.878
   23TYR     HA  353   3.618   3.132   4.917
   23TYR     CB  354   3.633   3.273   4.758
   23TYR    HB1  355   3.698   3.345   4.737
   23TYR    HB2  356   3.625   3.211   4.680
   23TYR     CG  357   3.498   3.336   4.780
   23TYR    CD1  358   3.383   3.258   4.781
   23TYR    HD1  359   3.389   3.160   4.761
   23TYR    CD2  360   3.488   3.472   4.813
   23TYR    HD2  361   3.570   3.528   4.817
   23TYR    CE1  362   3.258   3.314   4.809
   23TYR    HE1  363   3.176   3.257   4.809
   23TYR    CE2  364   3.363   3.529   4.840
   23TYR    HE2  365   3.356   3.627   4.860
   23TYR     CZ  366   3.250   3.450   4.837
   23TYR     OH  367   3.127   3.506   4.858
   23TYR     HH  368   3.137   3.603   4.877
   23TYR      C  369   3.810   3.115   4.830
   23TYR      O  370   3.902   3.181   4.781
   24SER      N  371   3.801   2.984   4.848
   24SER      H  372   3.718   2.945   4.889
   24SER     CA  373   3.912   2.897   4.808
   24SER     HA  374   3.993   2.933   4.854
   24SER     CB  375   3.890   2.755   4.858
   24SER    HB1  376   3.969   2.698   4.836
   24SER    HB2  377   3.875   2.755   4.957
   24SER     OG  378   3.778   2.696   4.798
   24SER     HG  379   3.767   2.603   4.833
   24SER      C  380   3.934   2.900   4.656
   24SER      O  381   3.842   2.931   4.581
   25LEU      N  382   4.057   2.865   4.621
   25LEU      H  383   4.121   2.833   4.691
   25LEU     CA  384   4.102   2.871   4.481
   25LEU     HA  385   4.106   2.967   4.454
   25LEU     CB  386   4.239   2.803   4.475
   25LEU    HB1  387   4.301   2.848   4.539
   25LEU    HB2  388   4.229   2.707   4.501
   25LEU     CG  389   4.299   2.810   4.336
   25LEU     HG  390   4.240   2.764   4.269
   25LEU    CD1  391   4.315   2.955   4.296
   25LEU   HD11  392   4.355   2.960   4.204
   25LEU   HD12  393   4.226   2.999   4.296
   25LEU   HD13  394   4.376   3.001   4.361
   25LEU    CD2  395   4.438   2.743   4.342
   25LEU   HD21  396   4.480   2.746   4.252
   25LEU   HD22  397   4.495   2.792   4.408
   25LEU   HD23  398   4.428   2.648   4.371
   25LEU      C  399   4.001   2.806   4.385
   25LEU      O  400   3.985   2.854   4.273
   26GLY      N  401   3.948   2.690   4.425
   26GLY      H  402   3.975   2.652   4.513
   26GLY     CA  403   3.852   2.618   4.343
   26GLY    HA1  404   3.902   2.584   4.263
   26GLY    HA2  405   3.819   2.541   4.397
   26GLY      C  406   3.732   2.700   4.295
   26GLY      O  407   3.687   2.687   4.179
   27ASN      N  408   3.688   2.790   4.383
   27ASN      H  409   3.731   2.793   4.473
   27ASN     CA  410   3.581   2.885   4.353
   27ASN     HA  411   3.500   2.829   4.335
   27ASN     CB  412   3.546   2.975   4.472
   27ASN    HB1  413   3.630   3.008   4.516
   27ASN    HB2  414   3.492   3.053   4.442
   27ASN     CG  415   3.466   2.889   4.572
   27ASN    OD1  416   3.349   2.855   4.549
   27ASN    ND2  417   3.533   2.867   4.684
   27ASN   HD21  418   3.624   2.905   4.696
   27ASN   HD22  419   3.492   2.813   4.757
   27ASN      C  420   3.614   2.963   4.227
   27ASN      O  421   3.530   2.983   4.139
   28TRP      N  422   3.732   3.021   4.225
   28TRP      H  423   3.794   3.004   4.302
   28TRP     CA  424   3.781   3.109   4.118
   28TRP     HA  425   3.714   3.181   4.099
   28TRP     CB  426   3.908   3.176   4.169
   28TRP    HB1  427   3.976   3.105   4.190
   28TRP    HB2  428   3.944   3.236   4.097
   28TRP     CG  429   3.892   3.260   4.292
   28TRP    CD1  430   3.916   3.224   4.422
   28TRP    HD1  431   3.947   3.134   4.452
   28TRP    CD2  432   3.830   3.390   4.296
   28TRP    NE1  433   3.890   3.331   4.503
   28TRP    HE1  434   3.912   3.335   4.601
   28TRP    CE2  435   3.832   3.430   4.431
   28TRP    CE3  436   3.787   3.479   4.197
   28TRP    HE3  437   3.793   3.454   4.100
   28TRP    CZ2  438   3.789   3.556   4.471
   28TRP    HZ2  439   3.793   3.586   4.566
   28TRP    CZ3  440   3.738   3.602   4.235
   28TRP    HZ3  441   3.700   3.665   4.167
   28TRP    CH2  442   3.741   3.639   4.369
   28TRP    HH2  443   3.707   3.729   4.395
   28TRP      C  444   3.792   3.036   3.985
   28TRP      O  445   3.772   3.094   3.876
   29VAL      N  446   3.855   2.916   3.993
   29VAL      H  447   3.891   2.884   4.081
   29VAL     CA  448   3.871   2.833   3.872
   29VAL     HA  449   3.915   2.891   3.803
   29VAL     CB  450   3.963   2.711   3.903
   29VAL     HB  451   3.926   2.654   3.976
   29VAL    CG1  452   3.976   2.622   3.781
   29VAL   HG11  453   4.035   2.544   3.802
   29VAL   HG12  454   3.886   2.588   3.754
   29VAL   HG13  455   4.016   2.674   3.705
   29VAL    CG2  456   4.099   2.767   3.944
   29VAL   HG21  457   4.161   2.691   3.965
   29VAL   HG22  458   4.137   2.821   3.869
   29VAL   HG23  459   4.088   2.825   4.025
   29VAL      C  460   3.736   2.796   3.810
   29VAL      O  461   3.715   2.812   3.690
   30CYS      N  462   3.648   2.753   3.897
   30CYS      H  463   3.678   2.742   3.992
   30CYS     CA  464   3.510   2.719   3.866
   30CYS     HA  465   3.518   2.642   3.803
   30CYS     CB  466   3.432   2.667   3.984
   30CYS    HB1  467   3.492   2.598   4.025
   30CYS    HB2  468   3.425   2.745   4.046
   30CYS     SG  469   3.270   2.600   3.936
   30CYS      C  470   3.437   2.834   3.797
   30CYS      O  471   3.387   2.814   3.684
   31ALA      N  472   3.451   2.953   3.854
   31ALA      H  473   3.504   2.960   3.939
   31ALA     CA  474   3.393   3.075   3.798
   31ALA     HA  475   3.294   3.059   3.795
   31ALA     CB  476   3.415   3.195   3.887
   31ALA    HB1  477   3.373   3.276   3.845
   31ALA    HB2  478   3.372   3.179   3.976
   31ALA    HB3  479   3.513   3.211   3.899
   31ALA      C  480   3.447   3.097   3.655
   31ALA      O  481   3.365   3.131   3.567
   32ALA      N  482   3.579   3.097   3.638
   32ALA      H  483   3.637   3.084   3.719
   32ALA     CA  484   3.644   3.116   3.509
   32ALA     HA  485   3.618   3.207   3.477
   32ALA     CB  486   3.796   3.110   3.527
   32ALA    HB1  487   3.841   3.122   3.439
   32ALA    HB2  488   3.825   3.182   3.590
   32ALA    HB3  489   3.822   3.021   3.565
   32ALA      C  490   3.592   3.016   3.405
   32ALA      O  491   3.575   3.048   3.288
   33LYS      N  492   3.571   2.892   3.448
   33LYS      H  493   3.589   2.872   3.544
   33LYS     CA  494   3.524   2.784   3.363
   33LYS     HA  495   3.595   2.778   3.293
   33LYS     CB  496   3.520   2.648   3.432
   33LYS    HB1  497   3.613   2.626   3.460
   33LYS    HB2  498   3.462   2.657   3.513
   33LYS     CG  499   3.468   2.532   3.348
   33LYS    HG1  500   3.468   2.450   3.406
   33LYS    HG2  501   3.374   2.553   3.321
   33LYS     CD  502   3.548   2.502   3.222
   33LYS    HD1  503   3.566   2.587   3.173
   33LYS    HD2  504   3.634   2.458   3.247
   33LYS     CE  505   3.467   2.408   3.134
   33LYS    HE1  506   3.439   2.329   3.188
   33LYS    HE2  507   3.385   2.457   3.102
   33LYS     NZ  508   3.540   2.360   3.015
   33LYS    HZ1  509   3.481   2.299   2.961
   33LYS    HZ2  510   3.567   2.438   2.958
   33LYS    HZ3  511   3.622   2.310   3.044
   33LYS      C  512   3.388   2.818   3.301
   33LYS      O  513   3.379   2.813   3.178
   34PHE      N  514   3.295   2.857   3.385
   34PHE      H  515   3.320   2.875   3.481
   34PHE     CA  516   3.155   2.874   3.342
   34PHE     HA  517   3.136   2.814   3.265
   34PHE     CB  518   3.061   2.829   3.454
   34PHE    HB1  519   3.089   2.871   3.540
   34PHE    HB2  520   2.967   2.858   3.432
   34PHE     CG  521   3.062   2.679   3.470
   34PHE    CD1  522   3.019   2.597   3.366
   34PHE    HD1  523   2.976   2.637   3.285
   34PHE    CD2  524   3.125   2.625   3.582
   34PHE    HD2  525   3.158   2.685   3.655
   34PHE    CE1  526   3.035   2.458   3.376
   34PHE    HE1  527   3.008   2.399   3.300
   34PHE    CE2  528   3.142   2.486   3.593
   34PHE    HE2  529   3.191   2.448   3.671
   34PHE     CZ  530   3.090   2.403   3.493
   34PHE     HZ  531   3.092   2.303   3.506
   34PHE      C  532   3.133   3.013   3.283
   34PHE      O  533   3.048   3.031   3.191
   35GLU      N  534   3.223   3.103   3.322
   35GLU      H  535   3.295   3.079   3.387
   35GLU     CA  536   3.216   3.241   3.267
   35GLU     HA  537   3.116   3.252   3.267
   35GLU     CB  538   3.268   3.351   3.356
   35GLU    HB1  539   3.362   3.327   3.380
   35GLU    HB2  540   3.267   3.435   3.302
   35GLU     CG  541   3.197   3.383   3.486
   35GLU    HG1  542   3.188   3.297   3.536
   35GLU    HG2  543   3.257   3.445   3.537
   35GLU     CD  544   3.061   3.447   3.481
   35GLU    OE1  545   3.039   3.498   3.369
   35GLU    OE2  546   2.993   3.465   3.580
   35GLU      C  547   3.264   3.256   3.125
   35GLU      O  548   3.199   3.313   3.036
   36SER      N  549   3.385   3.210   3.100
   36SER      H  550   3.429   3.160   3.174
   36SER     CA  551   3.461   3.224   2.977
   36SER     HA  552   3.390   3.260   2.917
   36SER     CB  553   3.581   3.315   3.002
   36SER    HB1  554   3.630   3.332   2.916
   36SER    HB2  555   3.552   3.402   3.041
   36SER     OG  556   3.673   3.257   3.092
   36SER     HG  557   3.750   3.319   3.106
   36SER      C  558   3.512   3.096   2.910
   36SER      O  559   3.573   3.108   2.803
   37ASN      N  560   3.494   2.984   2.974
   37ASN      H  561   3.431   2.984   3.052
   37ASN     CA  562   3.561   2.859   2.937
   37ASN     HA  563   3.542   2.791   3.009
   37ASN     CB  564   3.501   2.811   2.805
   37ASN    HB1  565   3.404   2.836   2.803
   37ASN    HB2  566   3.549   2.856   2.730
   37ASN     CG  567   3.514   2.660   2.789
   37ASN    OD1  568   3.562   2.589   2.878
   37ASN    ND2  569   3.485   2.613   2.668
   37ASN   HD21  570   3.457   2.675   2.595
   37ASN   HD22  571   3.491   2.514   2.650
   37ASN      C  572   3.713   2.871   2.937
   37ASN      O  573   3.779   2.825   2.842
   38PHE      N  574   3.767   2.950   3.029
   38PHE      H  575   3.707   2.996   3.094
   38PHE     CA  576   3.911   2.973   3.039
   38PHE     HA  577   3.916   3.031   3.121
   38PHE     CB  578   3.989   2.844   3.062
   38PHE    HB1  579   3.980   2.787   2.981
   38PHE    HB2  580   4.086   2.868   3.075
   38PHE     CG  581   3.947   2.763   3.181
   38PHE    CD1  582   3.908   2.819   3.301
   38PHE    HD1  583   3.904   2.919   3.309
   38PHE    CD2  584   3.949   2.622   3.168
   38PHE    HD2  585   3.976   2.580   3.082
   38PHE    CE1  586   3.875   2.743   3.411
   38PHE    HE1  587   3.846   2.787   3.496
   38PHE    CE2  588   3.912   2.543   3.278
   38PHE    HE2  589   3.906   2.444   3.268
   38PHE     CZ  590   3.882   2.603   3.402
   38PHE     HZ  591   3.865   2.546   3.483
   38PHE      C  592   3.970   3.052   2.922
   38PHE      O  593   4.090   3.041   2.897
   39ASN      N  594   3.892   3.141   2.864
   39ASN      H  595   3.800   3.156   2.901
   39ASN     CA  596   3.932   3.219   2.747
   39ASN     HA  597   4.022   3.187   2.717
   39ASN     CB  598   3.839   3.192   2.630
   39ASN    HB1  599   3.824   3.093   2.625
   39ASN    HB2  600   3.751   3.237   2.649
   39ASN     CG  601   3.886   3.239   2.495
   39ASN    OD1  602   3.956   3.337   2.471
   39ASN    ND2  603   3.856   3.148   2.402
   39ASN   HD21  604   3.809   3.064   2.427
   39ASN   HD22  605   3.881   3.165   2.306
   39ASN      C  606   3.952   3.365   2.785
   39ASN      O  607   3.852   3.427   2.825
   40THR      N  608   4.075   3.411   2.774
   40THR      H  609   4.146   3.348   2.746
   40THR     CA  610   4.112   3.549   2.801
   40THR     HA  611   4.064   3.560   2.888
   40THR     CB  612   4.266   3.572   2.825
   40THR     HB  613   4.283   3.658   2.873
   40THR    OG1  614   4.325   3.578   2.689
   40THR    HG1  615   4.424   3.592   2.696
   40THR    CG2  616   4.339   3.474   2.918
   40THR   HG21  617   4.436   3.499   2.924
   40THR   HG22  618   4.298   3.477   3.009
   40THR   HG23  619   4.332   3.381   2.881
   40THR      C  620   4.048   3.651   2.708
   40THR      O  621   4.030   3.767   2.746
   41GLN      N  622   3.998   3.605   2.596
   41GLN      H  623   3.991   3.506   2.585
   41GLN     CA  624   3.950   3.691   2.486
   41GLN     HA  625   3.989   3.781   2.508
   41GLN     CB  626   4.003   3.644   2.350
   41GLN    HB1  627   3.981   3.547   2.339
   41GLN    HB2  628   3.958   3.696   2.278
   41GLN     CG  629   4.153   3.662   2.339
   41GLN    HG1  630   4.193   3.676   2.430
   41GLN    HG2  631   4.195   3.583   2.295
   41GLN     CD  632   4.174   3.786   2.254
   41GLN    OE1  633   4.134   3.793   2.138
   41GLN    NE2  634   4.226   3.885   2.325
   41GLN   HE21  635   4.245   3.872   2.422
   41GLN   HE22  636   4.245   3.973   2.281
   41GLN      C  637   3.797   3.700   2.480
   41GLN      O  638   3.748   3.764   2.383
   42ALA      N  639   3.731   3.626   2.566
   42ALA      H  640   3.781   3.574   2.635
   42ALA     CA  641   3.584   3.620   2.561
   42ALA     HA  642   3.559   3.588   2.469
   42ALA     CB  643   3.533   3.522   2.667
   42ALA    HB1  644   3.434   3.518   2.664
   42ALA    HB2  645   3.571   3.431   2.650
   42ALA    HB3  646   3.563   3.554   2.758
   42ALA      C  647   3.524   3.759   2.586
   42ALA      O  648   3.562   3.831   2.679
   43THR      N  649   3.426   3.791   2.503
   43THR      H  650   3.408   3.731   2.425
   43THR     CA  651   3.342   3.911   2.519
   43THR     HA  652   3.361   3.936   2.615
   43THR     CB  653   3.379   4.035   2.430
   43THR     HB  654   3.324   4.115   2.450
   43THR    OG1  655   3.353   3.994   2.291
   43THR    HG1  656   3.376   4.070   2.230
   43THR    CG2  657   3.523   4.083   2.449
   43THR   HG21  658   3.540   4.162   2.389
   43THR   HG22  659   3.536   4.110   2.544
   43THR   HG23  660   3.586   4.010   2.426
   43THR      C  661   3.196   3.873   2.496
   43THR      O  662   3.170   3.789   2.408
   44ASN      N  663   3.107   3.936   2.570
   44ASN      H  664   3.139   4.003   2.638
   44ASN     CA  665   2.962   3.912   2.556
   44ASN     HA  666   2.946   3.872   2.466
   44ASN     CB  667   2.914   3.810   2.659
   44ASN    HB1  668   2.956   3.722   2.640
   44ASN    HB2  669   2.940   3.841   2.750
   44ASN     CG  670   2.763   3.794   2.655
   44ASN    OD1  671   2.711   3.734   2.559
   44ASN    ND2  672   2.689   3.855   2.748
   44ASN   HD21  673   2.733   3.910   2.819
   44ASN   HD22  674   2.589   3.845   2.747
   44ASN      C  675   2.888   4.046   2.571
   44ASN      O  676   2.915   4.122   2.664
   45ARG      N  677   2.804   4.074   2.475
   45ARG      H  678   2.790   4.005   2.403
   45ARG     CA  679   2.728   4.198   2.465
   45ARG     HA  680   2.782   4.268   2.513
   45ARG     CB  681   2.712   4.246   2.321
   45ARG    HB1  682   2.798   4.288   2.290
   45ARG    HB2  683   2.691   4.167   2.262
   45ARG     CG  684   2.599   4.348   2.311
   45ARG    HG1  685   2.575   4.364   2.216
   45ARG    HG2  686   2.519   4.315   2.360
   45ARG     CD  687   2.648   4.475   2.374
   45ARG    HD1  688   2.572   4.535   2.399
   45ARG    HD2  689   2.704   4.457   2.455
   45ARG     NE  690   2.729   4.538   2.269
   45ARG     HE  691   2.829   4.542   2.274
   45ARG     CZ  692   2.660   4.589   2.165
   45ARG    NH1  693   2.527   4.595   2.157
   45ARG   HH11  694   2.471   4.560   2.232
   45ARG   HH12  695   2.483   4.635   2.076
   45ARG    NH2  696   2.735   4.632   2.064
   45ARG   HH21  697   2.835   4.624   2.069
   45ARG   HH22  698   2.692   4.671   1.983
   45ARG      C  699   2.594   4.178   2.534
   45ARG      O  700   2.538   4.068   2.524
   46ASN      N  701   2.553   4.279   2.612
   46ASN      H  702   2.608   4.362   2.617
   46ASN     CA  703   2.428   4.269   2.689
   46ASN     HA  704   2.393   4.177   2.675
   46ASN     CB  705   2.456   4.285   2.837
   46ASN    HB1  706   2.493   4.377   2.852
   46ASN    HB2  707   2.368   4.276   2.886
   46ASN     CG  708   2.552   4.186   2.899
   46ASN    OD1  709   2.664   4.228   2.932
   46ASN    ND2  710   2.510   4.060   2.907
   46ASN   HD21  711   2.420   4.035   2.873
   46ASN   HD22  712   2.570   3.990   2.947
   46ASN      C  713   2.324   4.368   2.636
   46ASN      O  714   2.360   4.472   2.579
   47THR      N  715   2.201   4.345   2.678
   47THR      H  716   2.186   4.267   2.739
   47THR     CA  717   2.085   4.427   2.642
   47THR     HA  718   2.092   4.428   2.543
   47THR     CB  719   1.948   4.364   2.688
   47THR     HB  720   1.867   4.407   2.649
   47THR    OG1  721   1.949   4.382   2.833
   47THR    HG1  722   1.865   4.344   2.871
   47THR    CG2  723   1.931   4.217   2.648
   47THR   HG21  724   1.842   4.184   2.680
   47THR   HG22  725   1.936   4.209   2.549
   47THR   HG23  726   2.004   4.163   2.690
   47THR      C  727   2.098   4.573   2.686
   47THR      O  728   2.058   4.659   2.606
   48ASP      N  729   2.161   4.600   2.799
   48ASP      H  730   2.193   4.522   2.853
   48ASP     CA  731   2.186   4.734   2.850
   48ASP     HA  732   2.102   4.778   2.820
   48ASP     CB  733   2.200   4.735   3.003
   48ASP    HB1  734   2.192   4.830   3.035
   48ASP    HB2  735   2.127   4.680   3.043
   48ASP     CG  736   2.335   4.679   3.050
   48ASP    OD1  737   2.408   4.622   2.968
   48ASP    OD2  738   2.373   4.706   3.166
   48ASP      C  739   2.299   4.813   2.785
   48ASP      O  740   2.323   4.924   2.836
   49GLY      N  741   2.363   4.764   2.681
   49GLY      H  742   2.335   4.674   2.646
   49GLY     CA  743   2.472   4.832   2.612
   49GLY    HA1  744   2.463   4.812   2.515
   49GLY    HA2  745   2.459   4.930   2.628
   49GLY      C  746   2.613   4.794   2.657
   49GLY      O  747   2.715   4.831   2.598
   50SER      N  748   2.615   4.728   2.774
   50SER      H  749   2.529   4.708   2.819
   50SER     CA  750   2.742   4.685   2.839
   50SER     HA  751   2.808   4.757   2.825
   50SER     CB  752   2.725   4.671   2.989
   50SER    HB1  753   2.814   4.663   3.033
   50SER    HB2  754   2.676   4.750   3.026
   50SER     OG  755   2.651   4.555   3.021
   50SER     HG  756   2.641   4.548   3.120
   50SER      C  757   2.796   4.558   2.773
   50SER      O  758   2.725   4.488   2.697
   51THR      N  759   2.925   4.539   2.794
   51THR      H  760   2.977   4.608   2.843
   51THR     CA  761   2.995   4.418   2.747
   51THR     HA  762   2.927   4.351   2.716
   51THR     CB  763   3.088   4.453   2.625
   51THR     HB  764   3.160   4.519   2.648
   51THR    OG1  765   3.008   4.520   2.526
   51THR    HG1  766   3.065   4.543   2.447
   51THR    CG2  767   3.167   4.332   2.572
   51THR   HG21  768   3.224   4.360   2.495
   51THR   HG22  769   3.224   4.295   2.645
   51THR   HG23  770   3.102   4.262   2.541
   51THR      C  771   3.070   4.359   2.867
   51THR      O  772   3.114   4.433   2.955
   52ASP      N  773   3.069   4.227   2.874
   52ASP      H  774   3.010   4.176   2.812
   52ASP     CA  775   3.151   4.152   2.971
   52ASP     HA  776   3.168   4.210   3.050
   52ASP     CB  777   3.075   4.027   3.012
   52ASP    HB1  778   3.063   3.968   2.932
   52ASP    HB2  779   3.127   3.978   3.082
   52ASP     CG  780   2.938   4.061   3.067
   52ASP    OD1  781   2.920   4.155   3.143
   52ASP    OD2  782   2.850   3.976   3.045
   52ASP      C  783   3.282   4.111   2.904
   52ASP      O  784   3.283   4.069   2.786
   53TYR      N  785   3.390   4.135   2.976
   53TYR      H  786   3.379   4.164   3.072
   53TYR     CA  787   3.526   4.122   2.922
   53TYR     HA  788   3.508   4.087   2.830
   53TYR     CB  789   3.597   4.259   2.918
   53TYR    HB1  790   3.591   4.301   3.009
   53TYR    HB2  791   3.693   4.244   2.895
   53TYR     CG  792   3.542   4.358   2.818
   53TYR    CD1  793   3.582   4.362   2.685
   53TYR    HD1  794   3.652   4.298   2.653
   53TYR    CD2  795   3.449   4.453   2.862
   53TYR    HD2  796   3.425   4.456   2.959
   53TYR    CE1  797   3.527   4.454   2.595
   53TYR    HE1  798   3.554   4.454   2.499
   53TYR    CE2  799   3.389   4.542   2.774
   53TYR    HE2  800   3.315   4.602   2.805
   53TYR     CZ  801   3.434   4.547   2.642
   53TYR     OH  802   3.384   4.642   2.558
   53TYR     HH  803   3.319   4.700   2.607
   53TYR      C  804   3.614   4.021   2.996
   53TYR      O  805   3.627   4.023   3.118
   54GLY      N  806   3.673   3.934   2.918
   54GLY      H  807   3.640   3.928   2.824
   54GLY     CA  808   3.783   3.845   2.955
   54GLY    HA1  809   3.825   3.815   2.869
   54GLY    HA2  810   3.848   3.901   3.006
   54GLY      C  811   3.748   3.722   3.038
   54GLY      O  812   3.632   3.678   3.041
   55ILE      N  813   3.854   3.671   3.099
   55ILE      H  814   3.941   3.720   3.097
   55ILE     CA  815   3.843   3.541   3.168
   55ILE     HA  816   3.803   3.480   3.100
   55ILE     CB  817   3.987   3.496   3.211
   55ILE     HB  818   4.059   3.510   3.143
   55ILE    CG1  819   3.977   3.343   3.235
   55ILE   HG11  820   3.934   3.329   3.325
   55ILE   HG12  821   3.917   3.305   3.164
   55ILE    CG2  822   4.038   3.583   3.328
   55ILE   HG21  823   4.129   3.553   3.355
   55ILE   HG22  824   4.041   3.679   3.300
   55ILE   HG23  825   3.976   3.573   3.406
   55ILE     CD  826   4.108   3.264   3.233
   55ILE    HD1  827   4.089   3.167   3.250
   55ILE    HD2  828   4.152   3.274   3.144
   55ILE    HD3  829   4.169   3.299   3.304
   55ILE      C  830   3.740   3.537   3.280
   55ILE      O  831   3.675   3.432   3.298
   56LEU      N  832   3.720   3.650   3.343
   56LEU      H  833   3.776   3.730   3.321
   56LEU     CA  834   3.615   3.662   3.447
   56LEU     HA  835   3.576   3.571   3.460
   56LEU     CB  836   3.680   3.704   3.579
   56LEU    HB1  837   3.737   3.785   3.562
   56LEU    HB2  838   3.606   3.729   3.643
   56LEU     CG  839   3.767   3.597   3.647
   56LEU     HG  840   3.839   3.561   3.587
   56LEU    CD1  841   3.831   3.662   3.768
   56LEU   HD11  842   3.889   3.595   3.815
   56LEU   HD12  843   3.887   3.739   3.739
   56LEU   HD13  844   3.760   3.693   3.830
   56LEU    CD2  845   3.679   3.480   3.686
   56LEU   HD21  846   3.735   3.409   3.730
   56LEU   HD22  847   3.609   3.511   3.750
   56LEU   HD23  848   3.635   3.442   3.605
   56LEU      C  849   3.496   3.746   3.401
   56LEU      O  850   3.414   3.773   3.490
   57GLN      N  851   3.484   3.772   3.272
   57GLN      H  852   3.558   3.746   3.210
   57GLN     CA  853   3.365   3.840   3.220
   57GLN     HA  854   3.388   3.877   3.130
   57GLN     CB  855   3.250   3.738   3.212
   57GLN    HB1  856   3.246   3.687   3.298
   57GLN    HB2  857   3.164   3.787   3.198
   57GLN     CG  858   3.271   3.641   3.097
   57GLN    HG1  859   3.361   3.598   3.108
   57GLN    HG2  860   3.200   3.571   3.101
   57GLN     CD  861   3.266   3.706   2.960
   57GLN    OE1  862   3.155   3.722   2.908
   57GLN    NE2  863   3.379   3.742   2.902
   57GLN   HE21  864   3.467   3.727   2.948
   57GLN   HE22  865   3.377   3.785   2.812
   57GLN      C  866   3.326   3.956   3.311
   57GLN      O  867   3.210   3.965   3.358
   58ILE      N  868   3.414   4.053   3.324
   58ILE      H  869   3.503   4.043   3.278
   58ILE     CA  870   3.391   4.174   3.402
   58ILE     HA  871   3.331   4.148   3.478
   58ILE     CB  872   3.528   4.228   3.454
   58ILE     HB  873   3.598   4.230   3.382
   58ILE    CG1  874   3.573   4.134   3.569
   58ILE   HG11  875   3.518   4.153   3.650
   58ILE   HG12  876   3.560   4.039   3.540
   58ILE    CG2  877   3.516   4.376   3.498
   58ILE   HG21  878   3.605   4.408   3.530
   58ILE   HG22  879   3.486   4.431   3.420
   58ILE   HG23  880   3.449   4.383   3.571
   58ILE     CD  881   3.723   4.157   3.603
   58ILE    HD1  882   3.750   4.096   3.677
   58ILE    HD2  883   3.779   4.139   3.522
   58ILE    HD3  884   3.736   4.252   3.632
   58ILE      C  885   3.318   4.278   3.317
   58ILE      O  886   3.353   4.303   3.200
   59ASN      N  887   3.213   4.329   3.377
   59ASN      H  888   3.199   4.310   3.474
   59ASN     CA  889   3.113   4.413   3.308
   59ASN     HA  890   3.108   4.381   3.213
   59ASN     CB  891   2.978   4.393   3.379
   59ASN    HB1  892   2.959   4.295   3.383
   59ASN    HB2  893   2.985   4.430   3.471
   59ASN     CG  894   2.863   4.461   3.308
   59ASN    OD1  895   2.844   4.579   3.343
   59ASN    ND2  896   2.814   4.394   3.206
   59ASN   HD21  897   2.852   4.306   3.180
   59ASN   HD22  898   2.737   4.432   3.154
   59ASN      C  899   3.153   4.559   3.294
   59ASN      O  900   3.190   4.623   3.393
   60SER      N  901   3.125   4.610   3.173
   60SER      H  902   3.083   4.552   3.103
   60SER     CA  903   3.155   4.753   3.142
   60SER     HA  904   3.244   4.762   3.187
   60SER     CB  905   3.162   4.776   2.992
   60SER    HB1  906   3.195   4.869   2.974
   60SER    HB2  907   3.225   4.710   2.951
   60SER     OG  908   3.041   4.763   2.923
   60SER     HG  909   3.057   4.780   2.825
   60SER      C  910   3.067   4.861   3.203
   60SER      O  911   3.103   4.980   3.190
   61ARG      N  912   2.951   4.828   3.253
   61ARG      H  913   2.918   4.734   3.244
   61ARG     CA  914   2.867   4.927   3.324
   61ARG     HA  915   2.867   5.005   3.261
   61ARG     CB  916   2.725   4.882   3.342
   61ARG    HB1  917   2.695   4.835   3.258
   61ARG    HB2  918   2.722   4.817   3.418
   61ARG     CG  919   2.630   4.997   3.371
   61ARG    HG1  920   2.665   5.056   3.443
   61ARG    HG2  921   2.612   5.051   3.289
   61ARG     CD  922   2.504   4.928   3.417
   61ARG    HD1  923   2.464   4.875   3.341
   61ARG    HD2  924   2.525   4.866   3.493
   61ARG     NE  925   2.408   5.027   3.461
   61ARG     HE  926   2.439   5.117   3.494
   61ARG     CZ  927   2.277   4.997   3.456
   61ARG    NH1  928   2.242   4.888   3.389
   61ARG   HH11  929   2.312   4.832   3.344
   61ARG   HH12  930   2.146   4.862   3.383
   61ARG    NH2  931   2.191   5.087   3.502
   61ARG   HH21  932   2.223   5.174   3.539
   61ARG   HH22  933   2.092   5.067   3.500
   61ARG      C  934   2.926   4.973   3.456
   61ARG      O  935   2.926   5.095   3.479
   62TRP      N  936   2.975   4.882   3.540
   62TRP      H  937   2.975   4.786   3.512
   62TRP     CA  938   3.030   4.918   3.670
   62TRP     HA  939   2.993   5.011   3.680
   62TRP     CB  940   2.981   4.823   3.780
   62TRP    HB1  941   3.028   4.735   3.770
   62TRP    HB2  942   3.003   4.862   3.870
   62TRP     CG  943   2.834   4.798   3.777
   62TRP    CD1  944   2.770   4.687   3.731
   62TRP    HD1  945   2.815   4.602   3.704
   62TRP    CD2  946   2.731   4.892   3.810
   62TRP    NE1  947   2.634   4.708   3.728
   62TRP    HE1  948   2.566   4.642   3.695
   62TRP    CE2  949   2.607   4.832   3.777
   62TRP    CE3  950   2.731   5.020   3.864
   62TRP    HE3  951   2.817   5.066   3.886
   62TRP    CZ2  952   2.485   4.895   3.798
   62TRP    HZ2  953   2.399   4.849   3.777
   62TRP    CZ3  954   2.610   5.083   3.886
   62TRP    HZ3  955   2.608   5.173   3.929
   62TRP    CH2  956   2.489   5.023   3.848
   62TRP    HH2  957   2.403   5.074   3.859
   62TRP      C  958   3.183   4.926   3.677
   62TRP      O  959   3.230   5.002   3.764
   63TRP      N  960   3.252   4.835   3.609
   63TRP      H  961   3.207   4.788   3.533
   63TRP     CA  962   3.389   4.802   3.639
   63TRP     HA  963   3.391   4.868   3.714
   63TRP     CB  964   3.405   4.654   3.678
   63TRP    HB1  965   3.399   4.598   3.596
   63TRP    HB2  966   3.494   4.641   3.721
   63TRP     CG  967   3.302   4.605   3.774
   63TRP    CD1  968   3.194   4.524   3.745
   63TRP    HD1  969   3.171   4.490   3.653
   63TRP    CD2  970   3.290   4.635   3.912
   63TRP    NE1  971   3.122   4.496   3.857
   63TRP    HE1  972   3.045   4.434   3.863
   63TRP    CE2  973   3.174   4.569   3.960
   63TRP    CE3  974   3.367   4.710   3.999
   63TRP    HE3  975   3.450   4.756   3.967
   63TRP    CZ2  976   3.137   4.575   4.095
   63TRP    HZ2  977   3.057   4.526   4.129
   63TRP    CZ3  978   3.328   4.721   4.132
   63TRP    HZ3  979   3.381   4.778   4.195
   63TRP    CH2  980   3.216   4.653   4.179
   63TRP    HH2  981   3.191   4.661   4.275
   63TRP      C  982   3.507   4.854   3.562
   63TRP      O  983   3.612   4.880   3.624
   64CYS      N  984   3.494   4.853   3.432
   64CYS      H  985   3.410   4.815   3.393
   64CYS     CA  986   3.596   4.905   3.340
   64CYS     HA  987   3.664   4.956   3.393
   64CYS     CB  988   3.662   4.788   3.268
   64CYS    HB1  989   3.734   4.832   3.214
   64CYS    HB2  990   3.703   4.736   3.342
   64CYS     SG  991   3.554   4.685   3.166
   64CYS      C  992   3.530   4.998   3.238
   64CYS      O  993   3.408   4.993   3.220
   65ASN      N  994   3.614   5.079   3.176
   65ASN      H  995   3.711   5.074   3.198
   65ASN     CA  996   3.568   5.175   3.075
   65ASN     HA  997   3.469   5.182   3.089
   65ASN     CB  998   3.636   5.311   3.096
   65ASN    HB1  999   3.611   5.349   3.185
   65ASN    HB2 1000   3.735   5.301   3.091
   65ASN     CG 1001   3.589   5.404   2.985
   65ASN    OD1 1002   3.472   5.418   2.953
   65ASN    ND2 1003   3.689   5.456   2.914
   65ASN   HD21 1004   3.784   5.432   2.937
   65ASN   HD22 1005   3.671   5.518   2.839
   65ASN      C 1006   3.596   5.127   2.933
   65ASN      O 1007   3.711   5.094   2.902
   66ASP      N 1008   3.490   5.110   2.855
   66ASP      H 1009   3.398   5.119   2.894
   66ASP     CA 1010   3.508   5.080   2.712
   66ASP     HA 1011   3.607   5.071   2.700
   66ASP     CB 1012   3.444   4.948   2.678
   66ASP    HB1 1013   3.472   4.923   2.585
   66ASP    HB2 1014   3.477   4.879   2.742
   66ASP     CG 1015   3.293   4.952   2.684
   66ASP    OD1 1016   3.227   5.052   2.713
   66ASP    OD2 1017   3.243   4.839   2.662
   66ASP      C 1018   3.464   5.194   2.621
   66ASP      O 1019   3.470   5.176   2.500
   67GLY      N 1020   3.421   5.303   2.681
   67GLY      H 1021   3.417   5.303   2.781
   67GLY     CA 1022   3.380   5.423   2.609
   67GLY    HA1 1023   3.369   5.494   2.678
   67GLY    HA2 1024   3.455   5.446   2.548
   67GLY      C 1025   3.252   5.417   2.527
   67GLY      O 1026   3.217   5.516   2.461
   68ARG      N 1027   3.180   5.306   2.532
   68ARG      H 1028   3.212   5.230   2.588
   68ARG     CA 1029   3.054   5.293   2.458
   68ARG     HA 1030   3.031   5.387   2.432
   68ARG     CB 1031   3.073   5.207   2.333
   68ARG    HB1 1032   2.986   5.202   2.284
   68ARG    HB2 1033   3.142   5.249   2.274
   68ARG     CG 1034   3.118   5.067   2.372
   68ARG    HG1 1035   3.201   5.073   2.427
   68ARG    HG2 1036   3.046   5.023   2.426
   68ARG     CD 1037   3.146   4.981   2.255
   68ARG    HD1 1038   3.150   5.037   2.172
   68ARG    HD2 1039   3.233   4.933   2.267
   68ARG     NE 1040   3.042   4.882   2.239
   68ARG     HE 1041   3.064   4.793   2.278
   68ARG     CZ 1042   2.922   4.888   2.182
   68ARG    NH1 1043   2.848   4.993   2.152
   68ARG   HH11 1044   2.882   5.085   2.174
   68ARG   HH12 1045   2.759   4.981   2.109
   68ARG    NH2 1046   2.888   4.775   2.117
   68ARG   HH21 1047   2.950   4.697   2.116
   68ARG   HH22 1048   2.799   4.769   2.071
   68ARG      C 1049   2.940   5.238   2.543
   68ARG      O 1050   2.837   5.200   2.488
   69THR      N 1051   2.957   5.252   2.672
   69THR      H 1052   3.040   5.297   2.705
   69THR     CA 1053   2.859   5.203   2.770
   69THR     HA 1054   2.791   5.157   2.712
   69THR     CB 1055   2.919   5.100   2.876
   69THR     HB 1056   2.989   5.137   2.937
   69THR    OG1 1057   2.983   4.995   2.795
   69THR    HG1 1058   3.023   4.927   2.856
   69THR    CG2 1059   2.810   5.048   2.971
   69THR   HG21 1060   2.851   4.984   3.037
   69THR   HG22 1061   2.770   5.125   3.021
   69THR   HG23 1062   2.739   5.001   2.919
   69THR      C 1063   2.797   5.322   2.845
   69THR      O 1064   2.866   5.386   2.924
   70PRO      N 1065   2.667   5.336   2.825
   70PRO     CA 1066   2.593   5.444   2.894
   70PRO     HA 1067   2.634   5.535   2.881
   70PRO     CB 1068   2.454   5.437   2.834
   70PRO    HB1 1069   2.393   5.382   2.891
   70PRO    HB2 1070   2.415   5.528   2.822
   70PRO     CG 1071   2.474   5.371   2.700
   70PRO    HG1 1072   2.390   5.324   2.671
   70PRO    HG2 1073   2.499   5.439   2.631
   70PRO     CD 1074   2.587   5.271   2.721
   70PRO    HD1 1075   2.553   5.183   2.752
   70PRO    HD2 1076   2.641   5.259   2.638
   70PRO      C 1077   2.594   5.414   3.043
   70PRO      O 1078   2.572   5.298   3.078
   71GLY      N 1079   2.614   5.511   3.127
   71GLY      H 1080   2.634   5.601   3.088
   71GLY     CA 1081   2.612   5.500   3.272
   71GLY    HA1 1082   2.604   5.593   3.308
   71GLY    HA2 1083   2.529   5.449   3.295
   71GLY      C 1084   2.731   5.433   3.338
   71GLY      O 1085   2.724   5.388   3.454
   72SER      N 1086   2.840   5.425   3.265
   72SER      H 1087   2.838   5.466   3.174
   72SER     CA 1088   2.964   5.360   3.308
   72SER     HA 1089   2.948   5.263   3.328
   72SER     CB 1090   3.064   5.362   3.193
   72SER    HB1 1091   3.043   5.288   3.129
   72SER    HB2 1092   3.058   5.450   3.146
   72SER     OG 1093   3.200   5.345   3.233
   72SER     HG 1094   3.258   5.348   3.152
   72SER      C 1095   3.012   5.420   3.439
   72SER      O 1096   3.003   5.544   3.454
   73ARG      N 1097   3.063   5.339   3.530
   73ARG      H 1098   3.059   5.241   3.511
   73ARG     CA 1099   3.123   5.382   3.656
   73ARG     HA 1100   3.101   5.479   3.646
   73ARG     CB 1101   3.059   5.317   3.780
   73ARG    HB1 1102   3.059   5.218   3.767
   73ARG    HB2 1103   3.116   5.340   3.859
   73ARG     CG 1104   2.917   5.360   3.811
   73ARG    HG1 1105   2.864   5.369   3.726
   73ARG    HG2 1106   2.873   5.293   3.871
   73ARG     CD 1107   2.919   5.492   3.879
   73ARG    HD1 1108   2.981   5.486   3.958
   73ARG    HD2 1109   2.953   5.560   3.815
   73ARG     NE 1110   2.791   5.539   3.929
   73ARG     HE 1111   2.772   5.532   4.027
   73ARG     CZ 1112   2.696   5.592   3.849
   73ARG    NH1 1113   2.682   5.555   3.721
   73ARG   HH11 1114   2.743   5.487   3.682
   73ARG   HH12 1115   2.611   5.597   3.665
   73ARG    NH2 1116   2.655   5.717   3.882
   73ARG   HH21 1117   2.695   5.763   3.960
   73ARG   HH22 1118   2.585   5.762   3.827
   73ARG      C 1119   3.275   5.368   3.670
   73ARG      O 1120   3.341   5.437   3.752
   74ASN      N 1121   3.333   5.276   3.596
   74ASN      H 1122   3.274   5.223   3.535
   74ASN     CA 1123   3.476   5.245   3.598
   74ASN     HA 1124   3.485   5.155   3.556
   74ASN     CB 1125   3.555   5.341   3.508
   74ASN    HB1 1126   3.505   5.351   3.422
   74ASN    HB2 1127   3.560   5.429   3.554
   74ASN     CG 1128   3.696   5.295   3.476
   74ASN    OD1 1129   3.730   5.179   3.502
   74ASN    ND2 1130   3.782   5.381   3.423
   74ASN   HD21 1131   3.753   5.475   3.405
   74ASN   HD22 1132   3.875   5.352   3.402
   74ASN      C 1133   3.530   5.234   3.740
   74ASN      O 1134   3.624   5.309   3.773
   75LEU      N 1135   3.470   5.148   3.821
   75LEU      H 1136   3.394   5.093   3.787
   75LEU     CA 1137   3.513   5.131   3.960
   75LEU     HA 1138   3.530   5.223   3.995
   75LEU     CB 1139   3.399   5.067   4.040
   75LEU    HB1 1140   3.366   4.987   3.990
   75LEU    HB2 1141   3.435   5.039   4.129
   75LEU     CG 1142   3.280   5.162   4.065
   75LEU     HG 1143   3.260   5.214   3.982
   75LEU    CD1 1144   3.155   5.081   4.101
   75LEU   HD11 1145   3.079   5.144   4.116
   75LEU   HD12 1146   3.133   5.019   4.025
   75LEU   HD13 1147   3.173   5.028   4.184
   75LEU    CD2 1148   3.314   5.259   4.178
   75LEU   HD21 1149   3.236   5.320   4.194
   75LEU   HD22 1150   3.333   5.207   4.261
   75LEU   HD23 1151   3.394   5.313   4.153
   75LEU      C 1152   3.650   5.063   3.975
   75LEU      O 1153   3.715   5.082   4.081
   76CYS      N 1154   3.695   4.993   3.873
   76CYS      H 1155   3.639   4.983   3.791
   76CYS     CA 1156   3.828   4.930   3.878
   76CYS     HA 1157   3.839   4.916   3.976
   76CYS     CB 1158   3.838   4.792   3.815
   76CYS    HB1 1159   3.798   4.805   3.724
   76CYS    HB2 1160   3.936   4.777   3.806
   76CYS     SG 1161   3.757   4.658   3.903
   76CYS      C 1162   3.937   5.022   3.826
   76CYS      O 1163   4.055   4.985   3.824
   77ASN      N 1164   3.894   5.130   3.764
   77ASN      H 1165   3.796   5.142   3.756
   77ASN     CA 1166   3.981   5.235   3.707
   77ASN     HA 1167   3.920   5.300   3.662
   77ASN     CB 1168   4.057   5.311   3.815
   77ASN    HB1 1169   3.995   5.329   3.892
   77ASN    HB2 1170   4.134   5.255   3.847
   77ASN     CG 1171   4.111   5.443   3.763
   77ASN    OD1 1172   4.033   5.521   3.707
   77ASN    ND2 1173   4.241   5.463   3.772
   77ASN   HD21 1174   4.300   5.393   3.812
   77ASN   HD22 1175   4.281   5.549   3.738
   77ASN      C 1176   4.069   5.178   3.597
   77ASN      O 1177   4.193   5.195   3.598
   78ILE      N 1178   4.013   5.103   3.505
   78ILE      H 1179   3.914   5.087   3.510
   78ILE     CA 1180   4.088   5.040   3.396
   78ILE     HA 1181   4.172   5.094   3.387
   78ILE     CB 1182   4.116   4.888   3.429
   78ILE     HB 1183   4.142   4.837   3.346
   78ILE    CG1 1184   3.986   4.826   3.482
   78ILE   HG11 1185   3.962   4.874   3.566
   78ILE   HG12 1186   3.915   4.841   3.413
   78ILE    CG2 1187   4.242   4.862   3.515
   78ILE   HG21 1188   4.252   4.764   3.531
   78ILE   HG22 1189   4.322   4.897   3.467
   78ILE   HG23 1190   4.232   4.910   3.602
   78ILE     CD 1191   3.992   4.674   3.512
   78ILE    HD1 1192   3.903   4.644   3.546
   78ILE    HD2 1193   4.014   4.624   3.429
   78ILE    HD3 1194   4.062   4.656   3.582
   78ILE      C 1195   4.008   5.047   3.266
   78ILE      O 1196   3.884   5.031   3.270
   79PRO      N 1197   4.081   5.041   3.156
   79PRO     CA 1198   4.017   5.025   3.025
   79PRO     HA 1199   3.939   5.085   3.009
   79PRO     CB 1200   4.124   5.059   2.923
   79PRO    HB1 1201   4.128   4.988   2.852
   79PRO    HB2 1202   4.105   5.147   2.880
   79PRO     CG 1203   4.253   5.065   2.996
   79PRO    HG1 1204   4.309   4.986   2.971
   79PRO    HG2 1205   4.302   5.149   2.971
   79PRO     CD 1206   4.226   5.064   3.146
   79PRO    HD1 1207   4.275   4.991   3.191
   79PRO    HD2 1208   4.250   5.152   3.187
   79PRO      C 1209   3.977   4.877   3.022
   79PRO      O 1210   4.056   4.789   3.067
   80CYS      N 1211   3.861   4.853   2.964
   80CYS      H 1212   3.804   4.929   2.933
   80CYS     CA 1213   3.815   4.714   2.943
   80CYS     HA 1214   3.812   4.682   3.038
   80CYS     CB 1215   3.673   4.696   2.892
   80CYS    HB1 1216   3.676   4.731   2.799
   80CYS    HB2 1217   3.661   4.597   2.890
   80CYS     SG 1218   3.545   4.778   2.991
   80CYS      C 1219   3.913   4.634   2.860
   80CYS      O 1220   3.919   4.510   2.879
   81SER      N 1221   3.975   4.691   2.759
   81SER      H 1222   3.951   4.786   2.739
   81SER     CA 1223   4.076   4.629   2.674
   81SER     HA 1224   4.022   4.560   2.626
   81SER     CB 1225   4.136   4.726   2.572
   81SER    HB1 1226   4.204   4.681   2.514
   81SER    HB2 1227   4.065   4.768   2.514
   81SER     OG 1228   4.201   4.830   2.644
   81SER     HG 1229   4.242   4.895   2.579
   81SER      C 1230   4.189   4.565   2.756
   81SER      O 1231   4.232   4.456   2.711
   82ALA      N 1232   4.221   4.619   2.872
   82ALA      H 1233   4.174   4.702   2.903
   82ALA     CA 1234   4.325   4.558   2.956
   82ALA     HA 1235   4.402   4.542   2.894
   82ALA     CB 1236   4.370   4.655   3.065
   82ALA    HB1 1237   4.441   4.612   3.121
   82ALA    HB2 1238   4.407   4.738   3.023
   82ALA    HB3 1239   4.292   4.679   3.123
   82ALA      C 1240   4.285   4.422   3.013
   82ALA      O 1241   4.368   4.342   3.059
   83LEU      N 1242   4.155   4.396   3.015
   83LEU      H 1243   4.093   4.467   2.981
   83LEU     CA 1244   4.095   4.271   3.063
   83LEU     HA 1245   4.152   4.234   3.136
   83LEU     CB 1246   3.960   4.304   3.124
   83LEU    HB1 1247   3.904   4.344   3.051
   83LEU    HB2 1248   3.919   4.218   3.153
   83LEU     CG 1249   3.949   4.398   3.243
   83LEU     HG 1250   3.991   4.484   3.213
   83LEU    CD1 1251   3.802   4.419   3.281
   83LEU   HD11 1252   3.797   4.481   3.360
   83LEU   HD12 1253   3.752   4.459   3.204
   83LEU   HD13 1254   3.761   4.331   3.306
   83LEU    CD2 1255   4.026   4.349   3.365
   83LEU   HD21 1256   4.015   4.415   3.440
   83LEU   HD22 1257   3.990   4.260   3.393
   83LEU   HD23 1258   4.123   4.340   3.342
   83LEU      C 1259   4.104   4.158   2.962
   83LEU      O 1260   4.065   4.044   2.993
   84LEU      N 1261   4.145   4.189   2.840
   84LEU      H 1262   4.168   4.284   2.821
   84LEU     CA 1263   4.159   4.092   2.732
   84LEU     HA 1264   4.111   4.010   2.765
   84LEU     CB 1265   4.089   4.141   2.606
   84LEU    HB1 1266   4.140   4.222   2.575
   84LEU    HB2 1267   4.098   4.069   2.537
   84LEU     CG 1268   3.943   4.180   2.610
   84LEU     HG 1269   3.931   4.247   2.683
   84LEU    CD1 1270   3.899   4.239   2.475
   84LEU   HD11 1271   3.803   4.264   2.480
   84LEU   HD12 1272   3.954   4.320   2.455
   84LEU   HD13 1273   3.913   4.171   2.403
   84LEU    CD2 1274   3.858   4.056   2.634
   84LEU   HD21 1275   3.761   4.082   2.637
   84LEU   HD22 1276   3.873   3.991   2.560
   84LEU   HD23 1277   3.884   4.015   2.721
   84LEU      C 1278   4.303   4.046   2.710
   84LEU      O 1279   4.331   3.986   2.605
   85SER      N 1280   4.392   4.082   2.799
   85SER      H 1281   4.364   4.142   2.874
   85SER     CA 1282   4.532   4.037   2.794
   85SER     HA 1283   4.565   4.060   2.703
   85SER     CB 1284   4.609   4.110   2.904
   85SER    HB1 1285   4.595   4.209   2.899
   85SER    HB2 1286   4.583   4.077   2.995
   85SER     OG 1287   4.746   4.083   2.884
   85SER     HG 1288   4.800   4.130   2.954
   85SER      C 1289   4.545   3.886   2.817
   85SER      O 1290   4.474   3.826   2.899
   86SER      N 1291   4.660   3.836   2.773
   86SER      H 1292   4.722   3.895   2.721
   86SER     CA 1293   4.699   3.696   2.797
   86SER     HA 1294   4.618   3.642   2.777
   86SER     CB 1295   4.809   3.649   2.702
   86SER    HB1 1296   4.861   3.725   2.664
   86SER    HB2 1297   4.871   3.584   2.746
   86SER     OG 1298   4.738   3.583   2.598
   86SER     HG 1299   4.803   3.549   2.530
   86SER      C 1300   4.737   3.677   2.944
   86SER      O 1301   4.729   3.567   3.000
   87ASP      N 1302   4.783   3.786   3.000
   87ASP      H 1303   4.788   3.868   2.942
   87ASP     CA 1304   4.826   3.801   3.140
   87ASP     HA 1305   4.874   3.720   3.173
   87ASP     CB 1306   4.920   3.923   3.146
   87ASP    HB1 1307   4.999   3.902   3.088
   87ASP    HB2 1308   4.871   4.001   3.108
   87ASP     CG 1309   4.974   3.966   3.280
   87ASP    OD1 1310   4.932   3.932   3.393
   87ASP    OD2 1311   5.077   4.042   3.274
   87ASP      C 1312   4.698   3.828   3.220
   87ASP      O 1313   4.647   3.938   3.196
   88ILE      N 1314   4.671   3.747   3.321
   88ILE      H 1315   4.732   3.671   3.343
   88ILE     CA 1316   4.549   3.771   3.401
   88ILE     HA 1317   4.491   3.812   3.332
   88ILE     CB 1318   4.497   3.636   3.462
   88ILE     HB 1319   4.412   3.650   3.513
   88ILE    CG1 1320   4.590   3.582   3.574
   88ILE   HG11 1321   4.665   3.535   3.528
   88ILE   HG12 1322   4.625   3.662   3.622
   88ILE    CG2 1323   4.457   3.536   3.351
   88ILE   HG21 1324   4.424   3.451   3.392
   88ILE   HG22 1325   4.384   3.577   3.295
   88ILE   HG23 1326   4.536   3.517   3.293
   88ILE     CD 1327   4.534   3.485   3.681
   88ILE    HD1 1328   4.607   3.460   3.745
   88ILE    HD2 1329   4.460   3.529   3.731
   88ILE    HD3 1330   4.500   3.402   3.636
   88ILE      C 1331   4.556   3.876   3.511
   88ILE      O 1332   4.458   3.893   3.587
   89THR      N 1333   4.672   3.941   3.530
   89THR      H 1334   4.749   3.920   3.470
   89THR     CA 1335   4.689   4.039   3.636
   89THR     HA 1336   4.689   3.977   3.715
   89THR     CB 1337   4.825   4.121   3.625
   89THR     HB 1338   4.833   4.178   3.543
   89THR    OG1 1339   4.932   4.021   3.616
   89THR    HG1 1340   5.020   4.068   3.608
   89THR    CG2 1341   4.840   4.217   3.744
   89THR   HG21 1342   4.926   4.268   3.735
   89THR   HG22 1343   4.763   4.281   3.745
   89THR   HG23 1344   4.841   4.165   3.829
   89THR      C 1345   4.572   4.138   3.651
   89THR      O 1346   4.532   4.160   3.767
   90ALA      N 1347   4.549   4.210   3.543
   90ALA      H 1348   4.601   4.192   3.460
   90ALA     CA 1349   4.446   4.317   3.543
   90ALA     HA 1350   4.479   4.386   3.608
   90ALA     CB 1351   4.435   4.383   3.405
   90ALA    HB1 1352   4.365   4.455   3.408
   90ALA    HB2 1353   4.523   4.423   3.380
   90ALA    HB3 1354   4.409   4.314   3.337
   90ALA      C 1355   4.310   4.269   3.594
   90ALA      O 1356   4.235   4.329   3.674
   91SER      N 1357   4.273   4.154   3.537
   91SER      H 1358   4.335   4.112   3.471
   91SER     CA 1359   4.147   4.084   3.565
   91SER     HA 1360   4.076   4.149   3.541
   91SER     CB 1361   4.126   3.965   3.475
   91SER    HB1 1362   4.208   3.908   3.476
   91SER    HB2 1363   4.048   3.912   3.508
   91SER     OG 1364   4.100   3.995   3.341
   91SER     HG 1365   4.087   3.911   3.290
   91SER      C 1366   4.141   4.044   3.714
   91SER      O 1367   4.039   4.068   3.778
   92VAL      N 1368   4.248   3.983   3.762
   92VAL      H 1369   4.324   3.962   3.701
   92VAL     CA 1370   4.257   3.947   3.905
   92VAL     HA 1371   4.179   3.888   3.925
   92VAL     CB 1372   4.387   3.866   3.932
   92VAL     HB 1373   4.468   3.908   3.891
   92VAL    CG1 1374   4.411   3.861   4.082
   92VAL   HG11 1375   4.494   3.809   4.101
   92VAL   HG12 1376   4.420   3.954   4.117
   92VAL   HG13 1377   4.333   3.816   4.127
   92VAL    CG2 1378   4.376   3.729   3.868
   92VAL   HG21 1379   4.459   3.677   3.886
   92VAL   HG22 1380   4.297   3.681   3.907
   92VAL   HG23 1381   4.363   3.739   3.770
   92VAL      C 1382   4.246   4.073   3.993
   92VAL      O 1383   4.170   4.064   4.091
   93ASN      N 1384   4.318   4.178   3.958
   93ASN      H 1385   4.376   4.173   3.877
   93ASN     CA 1386   4.314   4.303   4.035
   93ASN     HA 1387   4.344   4.268   4.124
   93ASN     CB 1388   4.415   4.409   3.992
   93ASN    HB1 1389   4.411   4.419   3.892
   93ASN    HB2 1390   4.392   4.496   4.035
   93ASN     CG 1391   4.556   4.370   4.031
   93ASN    OD1 1392   4.653   4.429   3.979
   93ASN    ND2 1393   4.569   4.281   4.130
   93ASN   HD21 1394   4.488   4.243   4.174
   93ASN   HD22 1395   4.660   4.252   4.160
   93ASN      C 1396   4.173   4.365   4.047
   93ASN      O 1397   4.134   4.401   4.158
   94CYS      N 1398   4.108   4.362   3.934
   94CYS      H 1399   4.152   4.328   3.851
   94CYS     CA 1400   3.967   4.407   3.930
   94CYS     HA 1401   3.961   4.494   3.979
   94CYS     CB 1402   3.927   4.432   3.786
   94CYS    HB1 1403   3.998   4.493   3.749
   94CYS    HB2 1404   3.933   4.343   3.741
   94CYS     SG 1405   3.762   4.505   3.772
   94CYS      C 1406   3.876   4.315   4.009
   94CYS      O 1407   3.795   4.365   4.091
   95ALA      N 1408   3.892   4.185   3.993
   95ALA      H 1409   3.963   4.153   3.930
   95ALA     CA 1410   3.811   4.085   4.064
   95ALA     HA 1411   3.720   4.109   4.031
   95ALA     CB 1412   3.848   3.941   4.028
   95ALA    HB1 1413   3.789   3.879   4.079
   95ALA    HB2 1414   3.834   3.927   3.930
   95ALA    HB3 1415   3.943   3.924   4.052
   95ALA      C 1416   3.822   4.095   4.216
   95ALA      O 1417   3.720   4.080   4.285
   96LYS      N 1418   3.940   4.125   4.266
   96LYS      H 1419   4.019   4.128   4.204
   96LYS     CA 1420   3.961   4.153   4.409
   96LYS     HA 1421   3.928   4.070   4.453
   96LYS     CB 1422   4.108   4.173   4.444
   96LYS    HB1 1423   4.148   4.239   4.380
   96LYS    HB2 1424   4.114   4.209   4.538
   96LYS     CG 1425   4.185   4.041   4.437
   96LYS    HG1 1426   4.154   3.979   4.509
   96LYS    HG2 1427   4.170   3.999   4.348
   96LYS     CD 1428   4.334   4.069   4.455
   96LYS    HD1 1429   4.365   4.125   4.378
   96LYS    HD2 1430   4.346   4.120   4.540
   96LYS     CE 1431   4.418   3.944   4.461
   96LYS    HE1 1432   4.388   3.885   4.536
   96LYS    HE2 1433   4.412   3.893   4.375
   96LYS     NZ 1434   4.559   3.986   4.484
   96LYS    HZ1 1435   4.618   3.906   4.488
   96LYS    HZ2 1436   4.589   4.045   4.409
   96LYS    HZ3 1437   4.565   4.037   4.570
   96LYS      C 1438   3.878   4.274   4.458
   96LYS      O 1439   3.828   4.263   4.570
   97LYS      N 1440   3.864   4.372   4.372
   97LYS      H 1441   3.911   4.368   4.284
   97LYS     CA 1442   3.779   4.488   4.405
   97LYS     HA 1443   3.806   4.513   4.498
   97LYS     CB 1444   3.807   4.608   4.314
   97LYS    HB1 1445   3.787   4.581   4.220
   97LYS    HB2 1446   3.747   4.683   4.341
   97LYS     CG 1447   3.952   4.655   4.323
   97LYS    HG1 1448   3.970   4.685   4.417
   97LYS    HG2 1449   4.012   4.578   4.301
   97LYS     CD 1450   3.982   4.769   4.228
   97LYS    HD1 1451   3.946   4.747   4.137
   97LYS    HD2 1452   3.939   4.853   4.262
   97LYS     CE 1453   4.132   4.791   4.218
   97LYS    HE1 1454   4.171   4.803   4.309
   97LYS    HE2 1455   4.175   4.713   4.173
   97LYS     NZ 1456   4.155   4.914   4.138
   97LYS    HZ1 1457   4.253   4.931   4.130
   97LYS    HZ2 1458   4.115   4.903   4.047
   97LYS    HZ3 1459   4.111   4.992   4.183
   97LYS      C 1460   3.631   4.452   4.406
   97LYS      O 1461   3.555   4.494   4.494
   98ILE      N 1462   3.588   4.375   4.309
   98ILE      H 1463   3.654   4.343   4.241
   98ILE     CA 1464   3.450   4.331   4.294
   98ILE     HA 1465   3.397   4.416   4.296
   98ILE     CB 1466   3.429   4.262   4.157
   98ILE     HB 1467   3.494   4.187   4.149
   98ILE    CG1 1468   3.462   4.353   4.037
   98ILE   HG11 1469   3.396   4.427   4.036
   98ILE   HG12 1470   3.554   4.391   4.052
   98ILE    CG2 1471   3.287   4.201   4.149
   98ILE   HG21 1472   3.274   4.156   4.060
   98ILE   HG22 1473   3.275   4.133   4.222
   98ILE   HG23 1474   3.219   4.273   4.159
   98ILE     CD 1475   3.460   4.282   3.899
   98ILE    HD1 1476   3.483   4.348   3.828
   98ILE    HD2 1477   3.527   4.208   3.899
   98ILE    HD3 1478   3.369   4.245   3.882
   98ILE      C 1479   3.401   4.249   4.412
   98ILE      O 1480   3.304   4.287   4.480
   99VAL      N 1481   3.486   4.159   4.458
   99VAL      H 1482   3.578   4.155   4.421
   99VAL     CA 1483   3.447   4.063   4.563
   99VAL     HA 1484   3.353   4.032   4.546
   99VAL     CB 1485   3.538   3.939   4.553
   99VAL     HB 1486   3.542   3.909   4.458
   99VAL    CG1 1487   3.679   3.976   4.595
   99VAL   HG11 1488   3.738   3.895   4.588
   99VAL   HG12 1489   3.714   4.047   4.535
   99VAL   HG13 1490   3.678   4.009   4.689
   99VAL    CG2 1491   3.481   3.821   4.630
   99VAL   HG21 1492   3.543   3.743   4.622
   99VAL   HG22 1493   3.472   3.846   4.727
   99VAL   HG23 1494   3.392   3.797   4.593
   99VAL      C 1495   3.441   4.132   4.699
   99VAL      O 1496   3.372   4.083   4.790
  100SER      N 1497   3.519   4.237   4.708
  100SER      H 1498   3.572   4.265   4.629
  100SER     CA 1499   3.528   4.315   4.832
  100SER     HA 1500   3.521   4.252   4.910
  100SER     CB 1501   3.663   4.381   4.839
  100SER    HB1 1502   3.678   4.436   4.757
  100SER    HB2 1503   3.667   4.440   4.920
  100SER     OG 1504   3.769   4.288   4.849
  100SER     HG 1505   3.856   4.338   4.853
  100SER      C 1506   3.410   4.412   4.843
  100SER      O 1507   3.398   4.475   4.949
  101ASP      N 1508   3.329   4.422   4.742
  101ASP      H 1509   3.347   4.363   4.664
  101ASP     CA 1510   3.214   4.511   4.732
  101ASP     HA 1511   3.255   4.590   4.779
  101ASP     CB 1512   3.179   4.547   4.588
  101ASP    HB1 1513   3.258   4.527   4.530
  101ASP    HB2 1514   3.101   4.491   4.559
  101ASP     CG 1515   3.141   4.694   4.568
  101ASP    OD1 1516   3.223   4.784   4.594
  101ASP    OD2 1517   3.026   4.714   4.522
  101ASP      C 1518   3.090   4.480   4.815
  101ASP      O 1519   3.011   4.576   4.835
  102GLY      N 1520   3.070   4.356   4.856
  102GLY      H 1521   3.129   4.282   4.823
  102GLY     CA 1522   2.960   4.328   4.949
  102GLY    HA1 1523   3.000   4.317   5.040
  102GLY    HA2 1524   2.899   4.407   4.949
  102GLY      C 1525   2.879   4.203   4.917
  102GLY      O 1526   2.817   4.152   5.013
  103ASN      N 1527   2.878   4.162   4.791
  103ASN      H 1528   2.928   4.215   4.722
  103ASN     CA 1529   2.806   4.042   4.752
  103ASN     HA 1530   2.755   4.018   4.834
  103ASN     CB 1531   2.696   4.067   4.649
  103ASN    HB1 1532   2.672   4.164   4.651
  103ASN    HB2 1533   2.731   4.043   4.559
  103ASN     CG 1534   2.569   3.987   4.673
  103ASN    OD1 1535   2.549   3.920   4.777
  103ASN    ND2 1536   2.465   4.005   4.591
  103ASN   HD21 1537   2.472   4.070   4.516
  103ASN   HD22 1538   2.381   3.953   4.605
  103ASN      C 1539   2.897   3.922   4.727
  103ASN      O 1540   2.845   3.820   4.679
  104GLY      N 1541   3.022   3.933   4.767
  104GLY      H 1542   3.054   4.019   4.807
  104GLY     CA 1543   3.116   3.819   4.753
  104GLY    HA1 1544   3.207   3.847   4.781
  104GLY    HA2 1545   3.085   3.744   4.811
  104GLY      C 1546   3.115   3.776   4.606
  104GLY      O 1547   3.113   3.866   4.521
  105MET      N 1548   3.116   3.647   4.578
  105MET      H 1549   3.111   3.580   4.653
  105MET     CA 1550   3.126   3.599   4.439
  105MET     HA 1551   3.179   3.668   4.391
  105MET     CB 1552   3.202   3.467   4.430
  105MET    HB1 1553   3.165   3.404   4.499
  105MET    HB2 1554   3.188   3.428   4.339
  105MET     CG 1555   3.350   3.484   4.454
  105MET    HG1 1556   3.378   3.560   4.395
  105MET    HG2 1557   3.359   3.511   4.550
  105MET     SD 1558   3.436   3.328   4.416
  105MET     CE 1559   3.435   3.333   4.237
  105MET    HE1 1560   3.480   3.251   4.202
  105MET    HE2 1561   3.340   3.335   4.205
  105MET    HE3 1562   3.484   3.414   4.206
  105MET      C 1563   2.990   3.593   4.373
  105MET      O 1564   2.988   3.554   4.254
  106ASN      N 1565   2.888   3.646   4.441
  106ASN      H 1566   2.901   3.681   4.533
  106ASN     CA 1567   2.754   3.652   4.377
  106ASN     HA 1568   2.736   3.559   4.344
  106ASN     CB 1569   2.640   3.677   4.475
  106ASN    HB1 1570   2.663   3.756   4.533
  106ASN    HB2 1571   2.556   3.696   4.425
  106ASN     CG 1572   2.619   3.556   4.564
  106ASN    OD1 1573   2.582   3.449   4.511
  106ASN    ND2 1574   2.652   3.567   4.693
  106ASN   HD21 1575   2.690   3.653   4.727
  106ASN   HD22 1576   2.640   3.489   4.754
  106ASN      C 1577   2.755   3.745   4.256
  106ASN      O 1578   2.666   3.737   4.169
  107ALA      N 1579   2.860   3.827   4.247
  107ALA      H 1580   2.926   3.829   4.322
  107ALA     CA 1581   2.880   3.913   4.130
  107ALA     HA 1582   2.796   3.967   4.123
  107ALA     CB 1583   3.004   3.999   4.155
  107ALA    HB1 1584   3.019   4.059   4.076
  107ALA    HB2 1585   2.990   4.055   4.237
  107ALA    HB3 1586   3.084   3.940   4.168
  107ALA      C 1587   2.899   3.836   4.000
  107ALA      O 1588   2.871   3.891   3.893
  108TRP      N 1589   2.935   3.708   4.010
  108TRP      H 1590   2.952   3.669   4.101
  108TRP     CA 1591   2.951   3.624   3.891
  108TRP     HA 1592   2.956   3.685   3.812
  108TRP     CB 1593   3.082   3.545   3.901
  108TRP    HB1 1594   3.093   3.508   3.993
  108TRP    HB2 1595   3.081   3.469   3.835
  108TRP     CG 1596   3.198   3.636   3.870
  108TRP    CD1 1597   3.234   3.685   3.747
  108TRP    HD1 1598   3.190   3.662   3.660
  108TRP    CD2 1599   3.278   3.706   3.966
  108TRP    NE1 1600   3.339   3.772   3.762
  108TRP    HE1 1601   3.387   3.818   3.687
  108TRP    CE2 1602   3.369   3.786   3.894
  108TRP    CE3 1603   3.281   3.705   4.105
  108TRP    HE3 1604   3.217   3.649   4.157
  108TRP    CZ2 1605   3.466   3.860   3.959
  108TRP    HZ2 1606   3.533   3.914   3.907
  108TRP    CZ3 1607   3.375   3.782   4.170
  108TRP    HZ3 1608   3.378   3.784   4.270
  108TRP    CH2 1609   3.467   3.858   4.097
  108TRP    HH2 1610   3.535   3.912   4.146
  108TRP      C 1611   2.830   3.531   3.878
  108TRP      O 1612   2.822   3.444   3.966
  109VAL      N 1613   2.747   3.554   3.777
  109VAL      H 1614   2.766   3.625   3.709
  109VAL     CA 1615   2.625   3.472   3.769
  109VAL     HA 1616   2.585   3.480   3.861
  109VAL     CB 1617   2.513   3.528   3.681
  109VAL     HB 1618   2.488   3.616   3.723
  109VAL    CG1 1619   2.559   3.553   3.539
  109VAL   HG11 1620   2.483   3.589   3.485
  109VAL   HG12 1621   2.634   3.618   3.539
  109VAL   HG13 1622   2.589   3.466   3.498
  109VAL    CG2 1623   2.388   3.440   3.681
  109VAL   HG21 1624   2.319   3.482   3.622
  109VAL   HG22 1625   2.412   3.350   3.646
  109VAL   HG23 1626   2.352   3.432   3.774
  109VAL      C 1627   2.655   3.323   3.755
  109VAL      O 1628   2.590   3.243   3.826
  110ALA      N 1629   2.754   3.293   3.674
  110ALA      H 1630   2.805   3.368   3.632
  110ALA     CA 1631   2.795   3.155   3.643
  110ALA     HA 1632   2.710   3.111   3.615
  110ALA     CB 1633   2.884   3.140   3.521
  110ALA    HB1 1634   2.906   3.043   3.509
  110ALA    HB2 1635   2.836   3.174   3.441
  110ALA    HB3 1636   2.968   3.192   3.535
  110ALA      C 1637   2.848   3.086   3.768
  110ALA      O 1638   2.818   2.967   3.784
  111TRP      N 1639   2.910   3.160   3.856
  111TRP      H 1640   2.929   3.256   3.833
  111TRP     CA 1641   2.953   3.112   3.987
  111TRP     HA 1642   3.009   3.031   3.967
  111TRP     CB 1643   3.047   3.207   4.060
  111TRP    HB1 1644   3.130   3.220   4.006
  111TRP    HB2 1645   3.001   3.295   4.073
  111TRP     CG 1646   3.084   3.152   4.192
  111TRP    CD1 1647   3.184   3.060   4.216
  111TRP    HD1 1648   3.247   3.025   4.146
  111TRP    CD2 1649   3.018   3.171   4.317
  111TRP    NE1 1650   3.183   3.021   4.348
  111TRP    HE1 1651   3.248   2.958   4.391
  111TRP    CE2 1652   3.078   3.084   4.410
  111TRP    CE3 1653   2.916   3.258   4.358
  111TRP    HE3 1654   2.871   3.318   4.292
  111TRP    CZ2 1655   3.047   3.090   4.545
  111TRP    HZ2 1656   3.099   3.038   4.613
  111TRP    CZ3 1657   2.880   3.257   4.491
  111TRP    HZ3 1658   2.807   3.319   4.522
  111TRP    CH2 1659   2.942   3.173   4.583
  111TRP    HH2 1660   2.911   3.172   4.678
  111TRP      C 1661   2.832   3.070   4.072
  111TRP      O 1662   2.826   2.961   4.131
  112ARG      N 1663   2.742   3.166   4.090
  112ARG      H 1664   2.760   3.256   4.052
  112ARG     CA 1665   2.617   3.145   4.162
  112ARG     HA 1666   2.648   3.135   4.257
  112ARG     CB 1667   2.519   3.261   4.161
  112ARG    HB1 1668   2.471   3.255   4.074
  112ARG    HB2 1669   2.455   3.243   4.236
  112ARG     CG 1670   2.557   3.406   4.176
  112ARG    HG1 1671   2.609   3.418   4.261
  112ARG    HG2 1672   2.614   3.433   4.098
  112ARG     CD 1673   2.435   3.492   4.180
  112ARG    HD1 1674   2.366   3.447   4.237
  112ARG    HD2 1675   2.458   3.580   4.221
  112ARG     NE 1676   2.376   3.517   4.051
  112ARG     HE 1677   2.328   3.440   4.008
  112ARG     CZ 1678   2.377   3.632   3.981
  112ARG    NH1 1679   2.458   3.734   4.005
  112ARG   HH11 1680   2.524   3.729   4.080
  112ARG   HH12 1681   2.452   3.816   3.949
  112ARG    NH2 1682   2.270   3.663   3.907
  112ARG   HH21 1683   2.191   3.601   3.904
  112ARG   HH22 1684   2.269   3.748   3.854
  112ARG      C 1685   2.545   3.021   4.106
  112ARG      O 1686   2.498   2.941   4.189
  113ASN      N 1687   2.529   3.014   3.974
  113ASN      H 1688   2.574   3.081   3.915
  113ASN     CA 1689   2.444   2.908   3.916
  113ASN     HA 1690   2.364   2.909   3.975
  113ASN     CB 1691   2.395   2.940   3.775
  113ASN    HB1 1692   2.474   2.961   3.718
  113ASN    HB2 1693   2.348   2.859   3.740
  113ASN     CG 1694   2.298   3.058   3.769
  113ASN    OD1 1695   2.243   3.096   3.873
  113ASN    ND2 1696   2.282   3.118   3.651
  113ASN   HD21 1697   2.332   3.084   3.571
  113ASN   HD22 1698   2.220   3.195   3.643
  113ASN      C 1699   2.509   2.770   3.926
  113ASN      O 1700   2.443   2.667   3.948
  114ARG      N 1701   2.638   2.766   3.902
  114ARG      H 1702   2.689   2.852   3.907
  114ARG     CA 1703   2.714   2.646   3.871
  114ARG     HA 1704   2.647   2.573   3.888
  114ARG     CB 1705   2.760   2.653   3.725
  114ARG    HB1 1706   2.796   2.744   3.704
  114ARG    HB2 1707   2.832   2.585   3.708
  114ARG     CG 1708   2.638   2.623   3.637
  114ARG    HG1 1709   2.592   2.541   3.670
  114ARG    HG2 1710   2.574   2.700   3.642
  114ARG     CD 1711   2.671   2.602   3.494
  114ARG    HD1 1712   2.745   2.535   3.486
  114ARG    HD2 1713   2.591   2.568   3.445
  114ARG     NE 1714   2.713   2.730   3.437
  114ARG     HE 1715   2.770   2.790   3.493
  114ARG     CZ 1716   2.681   2.770   3.313
  114ARG    NH1 1717   2.636   2.685   3.221
  114ARG   HH11 1718   2.626   2.588   3.244
  114ARG   HH12 1719   2.612   2.717   3.130
  114ARG    NH2 1720   2.671   2.901   3.287
  114ARG   HH21 1721   2.689   2.968   3.360
  114ARG   HH22 1722   2.647   2.932   3.196
  114ARG      C 1723   2.824   2.606   3.966
  114ARG      O 1724   2.849   2.484   3.977
  115CYS      N 1725   2.872   2.699   4.044
  115CYS      H 1726   2.835   2.792   4.041
  115CYS     CA 1727   2.982   2.666   4.138
  115CYS     HA 1728   3.010   2.572   4.119
  115CYS     CB 1729   3.097   2.764   4.110
  115CYS    HB1 1730   3.061   2.853   4.136
  115CYS    HB2 1731   3.170   2.737   4.173
  115CYS     SG 1732   3.154   2.763   3.941
  115CYS      C 1733   2.943   2.655   4.283
  115CYS      O 1734   2.995   2.574   4.361
  116LYS      N 1735   2.869   2.754   4.329
  116LYS      H 1736   2.837   2.822   4.264
  116LYS     CA 1737   2.831   2.771   4.470
  116LYS     HA 1738   2.913   2.781   4.527
  116LYS     CB 1739   2.747   2.898   4.480
  116LYS    HB1 1740   2.805   2.977   4.458
  116LYS    HB2 1741   2.672   2.893   4.414
  116LYS     CG 1742   2.691   2.913   4.622
  116LYS    HG1 1743   2.661   2.824   4.655
  116LYS    HG2 1744   2.763   2.948   4.682
  116LYS     CD 1745   2.572   3.010   4.622
  116LYS    HD1 1746   2.586   3.080   4.552
  116LYS    HD2 1747   2.488   2.960   4.604
  116LYS     CE 1748   2.564   3.077   4.759
  116LYS    HE1 1749   2.560   3.006   4.830
  116LYS    HE2 1750   2.645   3.134   4.773
  116LYS     NZ 1751   2.443   3.163   4.772
  116LYS    HZ1 1752   2.442   3.205   4.863
  116LYS    HZ2 1753   2.446   3.235   4.702
  116LYS    HZ3 1754   2.361   3.108   4.759
  116LYS      C 1755   2.761   2.644   4.519
  116LYS      O 1756   2.680   2.585   4.446
  117GLY      N 1757   2.813   2.594   4.631
  117GLY      H 1758   2.893   2.637   4.672
  117GLY     CA 1759   2.754   2.475   4.694
  117GLY    HA1 1760   2.776   2.479   4.791
  117GLY    HA2 1761   2.655   2.481   4.682
  117GLY      C 1762   2.800   2.340   4.640
  117GLY      O 1763   2.748   2.235   4.683
  118THR      N 1764   2.887   2.342   4.541
  118THR      H 1765   2.915   2.431   4.503
  118THR     CA 1766   2.945   2.220   4.484
  118THR     HA 1767   2.887   2.144   4.515
  118THR     CB 1768   2.942   2.219   4.327
  118THR     HB 1769   2.955   2.128   4.286
  118THR    OG1 1770   3.054   2.302   4.283
  118THR    HG1 1771   3.056   2.305   4.183
  118THR    CG2 1772   2.808   2.272   4.274
  118THR   HG21 1773   2.808   2.271   4.174
  118THR   HG22 1774   2.733   2.215   4.308
  118THR   HG23 1775   2.794   2.366   4.306
  118THR      C 1776   3.085   2.200   4.543
  118THR      O 1777   3.130   2.274   4.632
  119ASP      N 1778   3.137   2.083   4.510
  119ASP      H 1779   3.080   2.018   4.460
  119ASP     CA 1780   3.275   2.045   4.543
  119ASP     HA 1781   3.294   2.075   4.636
  119ASP     CB 1782   3.291   1.893   4.541
  119ASP    HB1 1783   3.227   1.853   4.606
  119ASP    HB2 1784   3.272   1.859   4.449
  119ASP     CG 1785   3.433   1.852   4.579
  119ASP    OD1 1786   3.503   1.925   4.650
  119ASP    OD2 1787   3.470   1.737   4.547
  119ASP      C 1788   3.369   2.116   4.445
  119ASP      O 1789   3.416   2.057   4.345
  120VAL      N 1790   3.397   2.241   4.476
  120VAL      H 1791   3.354   2.280   4.558
  120VAL     CA 1792   3.487   2.326   4.398
  120VAL     HA 1793   3.454   2.308   4.305
  120VAL     CB 1794   3.470   2.475   4.430
  120VAL     HB 1795   3.538   2.527   4.377
  120VAL    CG1 1796   3.334   2.527   4.385
  120VAL   HG11 1797   3.326   2.625   4.408
  120VAL   HG12 1798   3.324   2.515   4.287
  120VAL   HG13 1799   3.261   2.477   4.432
  120VAL    CG2 1800   3.507   2.510   4.572
  120VAL   HG21 1801   3.494   2.608   4.587
  120VAL   HG22 1802   3.448   2.459   4.635
  120VAL   HG23 1803   3.602   2.486   4.589
  120VAL      C 1804   3.632   2.282   4.397
  120VAL      O 1805   3.708   2.322   4.308
  121GLN      N 1806   3.668   2.205   4.498
  121GLN      H 1807   3.603   2.190   4.572
  121GLN     CA 1808   3.800   2.140   4.506
  121GLN     HA 1809   3.869   2.213   4.501
  121GLN     CB 1810   3.807   2.067   4.640
  121GLN    HB1 1811   3.754   2.117   4.709
  121GLN    HB2 1812   3.770   1.974   4.630
  121GLN     CG 1813   3.951   2.058   4.684
  121GLN    HG1 1814   3.993   1.977   4.643
  121GLN    HG2 1815   4.000   2.140   4.653
  121GLN     CD 1816   3.960   2.050   4.834
  121GLN    OE1 1817   4.035   2.125   4.895
  121GLN    NE2 1818   3.886   1.949   4.882
  121GLN   HE21 1819   3.835   1.891   4.819
  121GLN   HE22 1820   3.883   1.932   4.981
  121GLN      C 1821   3.830   2.048   4.388
  121GLN      O 1822   3.946   2.029   4.349
  122ALA      N 1823   3.728   1.989   4.325
  122ALA      H 1824   3.638   1.995   4.368
  122ALA     CA 1825   3.737   1.917   4.198
  122ALA     HA 1826   3.786   1.833   4.223
  122ALA     CB 1827   3.598   1.886   4.145
  122ALA    HB1 1828   3.605   1.837   4.059
  122ALA    HB2 1829   3.549   1.830   4.212
  122ALA    HB3 1830   3.548   1.972   4.131
  122ALA      C 1831   3.817   1.991   4.090
  122ALA      O 1832   3.901   1.933   4.019
  123TRP      N 1833   3.800   2.124   4.091
  123TRP      H 1834   3.739   2.164   4.159
  123TRP     CA 1835   3.868   2.212   3.995
  123TRP     HA 1836   3.856   2.168   3.906
  123TRP     CB 1837   3.801   2.349   4.002
  123TRP    HB1 1838   3.799   2.382   4.096
  123TRP    HB2 1839   3.850   2.414   3.944
  123TRP     CG 1840   3.660   2.335   3.952
  123TRP    CD1 1841   3.546   2.323   4.026
  123TRP    HD1 1842   3.543   2.324   4.126
  123TRP    CD2 1843   3.622   2.317   3.815
  123TRP    NE1 1844   3.438   2.308   3.944
  123TRP    HE1 1845   3.343   2.303   3.975
  123TRP    CE2 1846   3.481   2.301   3.815
  123TRP    CE3 1847   3.693   2.309   3.695
  123TRP    HE3 1848   3.793   2.313   3.694
  123TRP    CZ2 1849   3.409   2.280   3.698
  123TRP    HZ2 1850   3.310   2.270   3.699
  123TRP    CZ3 1851   3.620   2.295   3.578
  123TRP    HZ3 1852   3.668   2.299   3.491
  123TRP    CH2 1853   3.481   2.275   3.580
  123TRP    HH2 1854   3.434   2.256   3.494
  123TRP      C 1855   4.020   2.220   4.006
  123TRP      O 1856   4.089   2.256   3.908
  124ILE      N 1857   4.072   2.189   4.122
  124ILE      H 1858   4.011   2.163   4.197
  124ILE     CA 1859   4.217   2.191   4.147
  124ILE     HA 1860   4.255   2.213   4.057
  124ILE     CB 1861   4.248   2.302   4.253
  124ILE     HB 1862   4.347   2.312   4.266
  124ILE    CG1 1863   4.194   2.260   4.390
  124ILE   HG11 1864   4.101   2.297   4.398
  124ILE   HG12 1865   4.190   2.160   4.392
  124ILE    CG2 1866   4.200   2.442   4.206
  124ILE   HG21 1867   4.222   2.511   4.276
  124ILE   HG22 1868   4.247   2.466   4.120
  124ILE   HG23 1869   4.102   2.440   4.191
  124ILE     CD 1870   4.271   2.306   4.516
  124ILE    HD1 1871   4.225   2.272   4.598
  124ILE    HD2 1872   4.364   2.269   4.513
  124ILE    HD3 1873   4.274   2.406   4.519
  124ILE      C 1874   4.284   2.058   4.169
  124ILE      O 1875   4.408   2.051   4.180
  125ARG      N 1876   4.206   1.952   4.180
  125ARG      H 1877   4.107   1.965   4.175
  125ARG     CA 1878   4.257   1.815   4.199
  125ARG     HA 1879   4.320   1.818   4.277
  125ARG     CB 1880   4.146   1.717   4.232
  125ARG    HB1 1881   4.065   1.741   4.178
  125ARG    HB2 1882   4.176   1.625   4.208
  125ARG     CG 1883   4.110   1.722   4.382
  125ARG    HG1 1884   4.193   1.720   4.437
  125ARG    HG2 1885   4.058   1.805   4.402
  125ARG     CD 1886   4.026   1.601   4.415
  125ARG    HD1 1887   3.979   1.568   4.333
  125ARG    HD2 1888   4.083   1.529   4.453
  125ARG     NE 1889   3.926   1.637   4.514
  125ARG     HE 1890   3.961   1.646   4.607
  125ARG     CZ 1891   3.796   1.661   4.500
  125ARG    NH1 1892   3.731   1.631   4.388
  125ARG   HH11 1893   3.781   1.589   4.311
  125ARG   HH12 1894   3.634   1.650   4.380
  125ARG    NH2 1895   3.737   1.717   4.606
  125ARG   HH21 1896   3.791   1.737   4.688
  125ARG   HH22 1897   3.639   1.738   4.604
  125ARG      C 1898   4.329   1.773   4.071
  125ARG      O 1899   4.282   1.796   3.958
  126GLY      N 1900   4.448   1.719   4.091
  126GLY      H 1901   4.484   1.712   4.184
  126GLY     CA 1902   4.527   1.668   3.977
  126GLY    HA1 1903   4.572   1.583   4.005
  126GLY    HA2 1904   4.465   1.649   3.901
  126GLY      C 1905   4.631   1.769   3.933
  126GLY      O 1906   4.720   1.735   3.852
  127CYS      N 1907   4.632   1.884   3.997
  127CYS      H 1908   4.567   1.897   4.072
  127CYS     CA 1909   4.721   1.995   3.963
  127CYS     HA 1910   4.756   1.979   3.871
  127CYS     CB 1911   4.643   2.125   3.966
  127CYS    HB1 1912   4.619   2.133   4.063
  127CYS    HB2 1913   4.713   2.193   3.944
  127CYS     SG 1914   4.499   2.144   3.861
  127CYS      C 1915   4.840   2.000   4.060
  127CYS      O 1916   4.819   1.989   4.181
  128ARG      N 1917   4.957   2.031   4.006
  128ARG      H 1918   4.964   2.037   3.907
  128ARG     CA 1919   5.075   2.058   4.089
  128ARG     HA 1920   5.064   2.009   4.175
  128ARG     CB 1921   5.203   1.992   4.038
  128ARG    HB1 1922   5.198   1.987   3.938
  128ARG    HB2 1923   5.281   2.049   4.065
  128ARG     CG 1924   5.221   1.851   4.095
  128ARG    HG1 1925   5.132   1.805   4.101
  128ARG    HG2 1926   5.282   1.798   4.035
  128ARG     CD 1927   5.281   1.853   4.232
  128ARG    HD1 1928   5.233   1.921   4.288
  128ARG    HD2 1929   5.272   1.763   4.274
  128ARG     NE 1930   5.423   1.888   4.231
  128ARG     HE 1931   5.481   1.830   4.174
  128ARG     CZ 1932   5.484   1.988   4.295
  128ARG    NH1 1933   5.422   2.069   4.382
  128ARG   HH11 1934   5.325   2.056   4.401
  128ARG   HH12 1935   5.473   2.142   4.428
  128ARG    NH2 1936   5.611   2.017   4.264
  128ARG   HH21 1937   5.659   1.965   4.194
  128ARG   HH22 1938   5.658   2.092   4.312
  128ARG      C 1939   5.080   2.206   4.125
  128ARG      O 1940   5.096   2.291   4.036
  129LEU      N 1941   5.027   2.233   4.244
  129LEU      H 1942   4.999   2.157   4.302
  129LEU     CA 1943   5.007   2.370   4.294
  129LEU     HA 1944   5.026   2.434   4.219
  129LEU     CB 1945   4.862   2.396   4.332
  129LEU    HB1 1946   4.823   2.308   4.360
  129LEU    HB2 1947   4.861   2.458   4.409
  129LEU     CG 1948   4.767   2.454   4.229
  129LEU     HG 1949   4.768   2.553   4.239
  129LEU    CD1 1950   4.809   2.428   4.086
  129LEU   HD11 1951   4.743   2.469   4.024
  129LEU   HD12 1952   4.899   2.468   4.070
  129LEU   HD13 1953   4.814   2.329   4.070
  129LEU    CD2 1954   4.629   2.394   4.256
  129LEU   HD21 1955   4.564   2.431   4.189
  129LEU   HD22 1956   4.633   2.295   4.247
  129LEU   HD23 1957   4.600   2.419   4.348
  129LEU      C 1958   5.110   2.400   4.404
  129LEU     O1 1959   5.071   2.390   4.523
  129LEU     O2 1960   5.221   2.430   4.358
  130HOH     OW 1961   3.241   5.168   3.001
  130HOH    HW1 1962   3.323   5.168   3.059
  130HOH    HW2 1963   3.160   5.168   3.059
  131HOH     OW 1964   4.097   3.804   3.062
  131HOH    HW1 1965   4.179   3.804   3.120
  131HOH    HW2 1966   4.097   3.885   3.005
  132HOH     OW 1967   3.923   2.496   4.646
  132HOH    HW1 1968   4.005   2.496   4.703
  132HOH    HW2 1969   3.923   2.414   4.588
  133HOH     OW 1970   3.136   5.395   2.850
  133HOH    HW1 1971   3.055   5.395   2.908
  133HOH    HW2 1972   3.136   5.477   2.793
  134HOH     OW 1973   3.822   3.924   3.300
  134HOH    HW1 1974   3.740   3.924   3.358
  134HOH    HW2 1975   3.822   3.842   3.242
  135HOH     OW 1976   3.844   4.938   2.618
  135HOH    HW1 1977   3.844   5.020   2.560
  135HOH    HW2 1978   3.844   4.856   2.560
  136HOH     OW 1979   2.979   4.793   2.559
  136HOH    HW1 1980   3.060   4.793   2.617
  136HOH    HW2 1981   2.897   4.793   2.617
  137HOH     OW 1982   5.030   2.947   3.529
  137HOH    HW1 1983   5.111   2.947   3.587
  137HOH    HW2 1984   5.030   3.029   3.471
  138HOH     OW 1985   4.368   4.068   3.263
  138HOH    HW1 1986   4.449   4.068   3.321
  138HOH    HW2 1987   4.368   3.986   3.205
  139HOH     OW 1988   3.585   2.892   5.017
  139HOH    HW1 1989   3.503   2.892   5.074
  139HOH    HW2 1990   3.585   2.973   4.959
  140HOH     OW 1991   4.111   2.267   3.085
  140HOH    HW1 1992   4.029   2.267   3.143
  140HOH    HW2 1993   4.111   2.185   3.028
  141HOH     OW 1994   3.245   5.166   3.430
  141HOH    HW1 1995   3.245   5.248   3.372
  141HOH    HW2 1996   3.245   5.084   3.372
  142HOH     OW 1997   3.037   5.714   2.563
  142HOH    HW1 1998   3.119   5.714   2.621
  142HOH    HW2 1999   2.955   5.714   2.621
  143HOH     OW 2000   4.347   3.820   3.093
  143HOH    HW1 2001   4.429   3.820   3.151
  143HOH    HW2 2002   4.347   3.901   3.035
  144HOH     OW 2003   2.540   4.576   3.314
  144HOH    HW1 2004   2.622   4.576   3.372
  144HOH    HW2 2005   2.540   4.494   3.257
  145HOH     OW 2006   3.035   4.155   4.562
  145HOH    HW1 2007   2.954   4.155   4.619
  145HOH    HW2 2008   3.035   4.236   4.504
  146HOH     OW 2009   5.003   2.416   3.666
  146HOH    HW1 2010   4.921   2.416   3.724
  146HOH    HW2 2011   5.003   2.334   3.608
  147HOH     OW 2012   4.177   4.731   3.923
  147HOH    HW1 2013   4.177   4.812   3.865
  147HOH    HW2 2014   4.177   4.649   3.865
  148HOH     OW 2015   5.863   2.058   4.301
  148HOH    HW1 2016   5.944   2.058   4.359
  148HOH    HW2 2017   5.781   2.058   4.359
  149HOH     OW 2018   2.343   4.652   2.333
  149HOH    HW1 2019   2.425   4.652   2.391
  149HOH    HW2 2020   2.343   4.734   2.275
  150HOH     OW 2021   3.191   2.246   4.071
  150HOH    HW1 2022   3.273   2.246   4.129
  150HOH    HW2 2023   3.191   2.164   4.014
  151HOH     OW 2024   2.499   3.011   3.447
  151HOH    HW1 2025   2.418   3.011   3.505
  151HOH    HW2 2026   2.499   3.093   3.389
  152HOH     OW 2027   2.111   3.321   3.971
  152HOH    HW1 2028   2.029   3.321   4.029
  152HOH    HW2 2029   2.111   3.239   3.914
  153HOH     OW 2030   2.466   5.054   3.086
  153HOH    HW1 2031   2.466   5.136   3.028
  153HOH    HW2 2032   2.466   4.973   3.028
  154HOH     OW 2033   1.963   3.585   4.010
  154HOH    HW1 2034   2.045   3.585   4.068
  154HOH    HW2 2035   1.882   3.585   4.068
  155HOH     OW 2036   5.305   2.960   3.952
  155HOH    HW1 2037   5.387   2.960   4.010
  155HOH    HW2 2038   5.305   3.041   3.894
  156HOH     OW 2039   4.101   2.470   2.856
  156HOH    HW1 2040   4.183   2.470   2.914
  156HOH    HW2 2041   4.101   2.388   2.798
  157HOH     OW 2042   4.540   3.123   5.184
  157HOH    HW1 2043   4.459   3.123   5.242
  157HOH    HW2 2044   4.540   3.205   5.127
  158HOH     OW 2045   4.692   4.212   3.298
  158HOH    HW1 2046   4.610   4.212   3.356
  158HOH    HW2 2047   4.692   4.131   3.241
  159HOH     OW 2048   3.969   5.436   3.038
  159HOH    HW1 2049   3.969   5.518   2.980
  159HOH    HW2 2050   3.969   5.354   2.980
  160HOH     OW 2051   3.290   5.599   2.902
  160HOH    HW1 2052   3.372   5.599   2.959
  160HOH    HW2 2053   3.209   5.599   2.959
  161HOH     OW 2054   4.281   4.587   3.730
  161HOH    HW1 2055   4.363   4.587   3.787
  161HOH    HW2 2056   4.281   4.669   3.672
  162HOH     OW 2057   3.859   5.235   2.707
  162HOH    HW1 2058   3.941   5.235   2.765
  162HOH    HW2 2059   3.859   5.153   2.649
  163HOH     OW 2060   3.254   1.961   4.108
  163HOH    HW1 2061   3.173   1.961   4.165
  163HOH    HW2 2062   3.254   2.043   4.050
  164HOH     OW 2063   4.049   5.398   3.249
  164HOH    HW1 2064   3.967   5.398   3.306
  164HOH    HW2 2065   4.049   5.317   3.191
  165HOH     OW 2066   3.086   4.116   2.166
  165HOH    HW1 2067   3.086   4.197   2.108
  165HOH    HW2 2068   3.086   4.034   2.108
  166HOH     OW 2069   4.674   3.253   4.645
  166HOH    HW1 2070   4.756   3.253   4.703
  166HOH    HW2 2071   4.593   3.253   4.703
  167HOH     OW 2072   5.132   2.910   4.183
  167HOH    HW1 2073   5.213   2.910   4.241
  167HOH    HW2 2074   5.132   2.992   4.126
  168HOH     OW 2075   3.232   5.136   3.231
  168HOH    HW1 2076   3.314   5.136   3.289
  168HOH    HW2 2077   3.232   5.054   3.173
  169HOH     OW 2078   3.196   4.084   4.979
  169HOH    HW1 2079   3.115   4.084   5.037
  169HOH    HW2 2080   3.196   4.166   4.922
  170HOH     OW 2081   3.976   1.941   3.316
  170HOH    HW1 2082   3.894   1.941   3.373
  170HOH    HW2 2083   3.976   1.860   3.258
  171HOH     OW 2084   5.195   2.628   4.166
  171HOH    HW1 2085   5.195   2.709   4.108
  171HOH    HW2 2086   5.195   2.546   4.108
  172HOH     OW 2087   4.591   2.957   2.358
  172HOH    HW1 2088   4.672   2.957   2.415
  172HOH    HW2 2089   4.509   2.957   2.415
  173HOH     OW 2090   4.439   3.747   2.509
  173HOH    HW1 2091   4.521   3.747   2.567
  173HOH    HW2 2092   4.439   3.829   2.452
  174HOH     OW 2093   4.641   4.416   3.088
  174HOH    HW1 2094   4.722   4.416   3.146
  174HOH    HW2 2095   4.641   4.334   3.031
  175HOH     OW 2096   4.630   2.021   4.413
  175HOH    HW1 2097   4.548   2.021   4.470
  175HOH    HW2 2098   4.630   2.103   4.355
  176HOH     OW 2099   1.829   4.833   2.512
  176HOH    HW1 2100   1.748   4.833   2.570
  176HOH    HW2 2101   1.829   4.751   2.455
  177HOH     OW 2102   4.895   3.538   3.401
  177HOH    HW1 2103   4.895   3.620   3.344
  177HOH    HW2 2104   4.895   3.456   3.344
  178HOH     OW 2105   3.111   4.189   3.613
  178HOH    HW1 2106   3.192   4.189   3.670
  178HOH    HW2 2107   3.029   4.189   3.670
  179HOH     OW 2108   3.122   2.743   4.667
  179HOH    HW1 2109   3.204   2.743   4.725
  179HOH    HW2 2110   3.122   2.825   4.609
  180HOH     OW 2111   4.971   2.084   3.696
  180HOH    HW1 2112   5.053   2.084   3.754
  180HOH    HW2 2113   4.971   2.003   3.638
  181HOH     OW 2114   2.148   2.689   4.077
  181HOH    HW1 2115   2.066   2.689   4.134
  181HOH    HW2 2116   2.148   2.770   4.019
  182HOH     OW 2117   2.935   4.024   3.432
  182HOH    HW1 2118   2.854   4.024   3.489
  182HOH    HW2 2119   2.935   3.942   3.374
  183HOH     OW 2120   3.177   2.708   3.000
  183HOH    HW1 2121   3.177   2.790   2.942
  183HOH    HW2 2122   3.177   2.627   2.942
  184HOH     OW 2123   3.212   4.343   5.179
  184HOH    HW1 2124   3.293   4.343   5.237
  184HOH    HW2 2125   3.130   4.343   5.237
  185HOH     OW 2126   3.165   5.031   4.492
  185HOH    HW1 2127   3.247   5.031   4.549
  185HOH    HW2 2128   3.165   5.113   4.434
  186HOH     OW 2129   4.295   4.473   4.351
  186HOH    HW1 2130   4.376   4.473   4.408
  186HOH    HW2 2131   4.295   4.392   4.293
  187HOH     OW 2132   2.855   3.704   3.525
  187HOH    HW1 2133   2.774   3.704   3.583
  187HOH    HW2 2134   2.855   3.786   3.467
  188HOH     OW 2135   2.377   2.729   4.393
  188HOH    HW1 2136   2.295   2.729   4.451
  188HOH    HW2 2137   2.377   2.648   4.335
  189HOH     OW 2138   2.809   3.964   2.202
  189HOH    HW1 2139   2.809   4.046   2.145
  189HOH    HW2 2140   2.809   3.883   2.145
  190HOH     OW 2141   2.628   5.068   2.422
  190HOH    HW1 2142   2.710   5.068   2.479
  190HOH    HW2 2143   2.547   5.068   2.479
  191HOH     OW 2144   2.518   2.612   4.225
  191HOH    HW1 2145   2.599   2.612   4.282
  191HOH    HW2 2146   2.518   2.694   4.167
  192HOH     OW 2147   2.633   5.797   2.959
  192HOH    HW1 2148   2.714   5.797   3.017
  192HOH    HW2 2149   2.633   5.715   2.901
  193HOH     OW 2150   2.397   4.292   3.243
  193HOH    HW1 2151   2.316   4.292   3.301
  193HOH    HW2 2152   2.397   4.374   3.185
  194HOH     OW 2153   3.718   5.639   3.352
  194HOH    HW1 2154   3.636   5.639   3.410
  194HOH    HW2 2155   3.718   5.558   3.294
  195HOH     OW 2156   3.846   2.548   2.756
  195HOH    HW1 2157   3.846   2.630   2.699
  195HOH    HW2 2158   3.846   2.467   2.699
  196HOH     OW 2159   3.259   5.643   3.928
  196HOH    HW1 2160   3.341   5.643   3.986
  196HOH    HW2 2161   3.178   5.643   3.986
  197HOH     OW 2162   4.955   3.380   3.031
  197HOH    HW1 2163   5.037   3.380   3.089
  197HOH    HW2 2164   4.955   3.462   2.973
  198HOH     OW 2165   2.145   4.348   3.044
  198HOH    HW1 2166   2.227   4.348   3.102
  198HOH    HW2 2167   2.145   4.266   2.987
  199HOH     OW 2168   2.566   2.521   3.084
  199HOH    HW1 2169   2.485   2.521   3.142
  199HOH    HW2 2170   2.566   2.603   3.026
  200HOH     OW 2171   3.651   4.968   2.381
  200HOH    HW1 2172   3.570   4.968   2.439
  200HOH    HW2 2173   3.651   4.886   2.323
  201HOH     OW 2174   3.487   4.759   4.823
  201HOH    HW1 2175   3.487   4.841   4.766
  201HOH    HW2 2176   3.487   4.678   4.766
  202HOH     OW 2177   3.377   3.680   5.273
  202HOH    HW1 2178   3.459   3.680   5.331
  202HOH    HW2 2179   3.295   3.680   5.331
  203HOH     OW 2180   2.156   3.283   4.168
  203HOH    HW1 2181   2.238   3.283   4.225
  203HOH    HW2 2182   2.156   3.365   4.110
  204HOH     OW 2183   2.867   3.537   3.182
  204HOH    HW1 2184   2.948   3.537   3.240
  204HOH    HW2 2185   2.867   3.455   3.124
  205HOH     OW 2186   3.608   4.758   2.431
  205HOH    HW1 2187   3.526   4.758   2.489
  205HOH    HW2 2188   3.608   4.839   2.373
  206HOH     OW 2189   4.624   2.125   4.667
  206HOH    HW1 2190   4.542   2.125   4.725
  206HOH    HW2 2191   4.624   2.044   4.609
  207HOH     OW 2192   5.274   3.546   4.471
  207HOH    HW1 2193   5.274   3.628   4.413
  207HOH    HW2 2194   5.274   3.465   4.413
   7.33925   7.33925   7.33925