NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
586880 2mv1 25238 cing 1-original 4 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           1HT      ASP   1  10.819  -2.598   4.417
    2    H2   ASP   1           2HT      ASP   1  12.302  -2.386   3.583
    3    H3   ASP   1           3HT      ASP   1  11.325  -3.683   3.230
    4    HA   ASP   1           HA       ASP   1   9.682  -2.399   2.263
    5    HB2  ASP   1           2HB      ASP   1   9.879   0.023   1.988
    6    HB3  ASP   1           1HB      ASP   1   9.874  -0.376   3.696
    7    H    SER   2           H        SER   2   9.762  -2.037   0.100
    8    HA   SER   2           HA       SER   2  12.194  -1.434  -1.197
    9    HB2  SER   2           2HB      SER   2  11.911  -3.556  -2.688
   10    HB3  SER   2           1HB      SER   2  12.819  -3.630  -1.175
   11    HG   SER   2           HG       SER   2  11.351  -4.872  -0.350
   12    H    TRP   3           H        TRP   3  11.528   0.090  -2.306
   13    HA   TRP   3           HA       TRP   3   8.827   0.429  -3.175
   14    HB2  TRP   3           2HB      TRP   3  11.232   2.092  -3.929
   15    HB3  TRP   3           1HB      TRP   3   9.556   2.534  -4.186
   16    HD1  TRP   3           HD       TRP   3  11.562   4.342  -2.523
   17    HE1  TRP   3           1HE      TRP   3  11.048   4.933  -0.067
   18    HE3  TRP   3           3HE      TRP   3   8.332   0.494  -1.334
   19    HZ2  TRP   3           2HZ      TRP   3   9.540   3.927   2.057
   20    HZ3  TRP   3           3HZ      TRP   3   7.429   0.406   0.903
   21    HH2  TRP   3           HH       TRP   3   8.013   2.087   2.589
   22    H    MET   4           H        MET   4  11.389  -1.160  -4.669
   23    HA   MET   4           HA       MET   4  10.467  -0.686  -7.340
   24    HB2  MET   4           2HB      MET   4  12.814  -1.349  -6.989
   25    HB3  MET   4           1HB      MET   4  12.281  -2.894  -6.339
   26    HG2  MET   4           2HG      MET   4  11.311  -3.497  -8.483
   27    HG3  MET   4           1HG      MET   4  11.765  -1.935  -9.147
   28    HE1  MET   4           3HE      MET   4  14.080  -4.478 -11.016
   29    HE2  MET   4           1HE      MET   4  12.836  -3.243 -11.188
   30    HE3  MET   4           2HE      MET   4  12.437  -4.799 -10.459
   31    H    GLU   5           H        GLU   5   9.716  -2.961  -4.831
   32    HA   GLU   5           HA       GLU   5   7.714  -4.025  -6.612
   33    HB2  GLU   5           2HB      GLU   5   9.653  -5.737  -5.080
   34    HB3  GLU   5           1HB      GLU   5   8.127  -6.347  -5.695
   35    HG2  GLU   5           2HG      GLU   5   8.842  -5.808  -7.977
   36    HG3  GLU   5           1HG      GLU   5  10.364  -5.183  -7.345
   37    H    GLU   6           H        GLU   6   8.372  -5.553  -3.607
   38    HA   GLU   6           HA       GLU   6   7.079  -6.109  -1.964
   39    HB2  GLU   6           2HB      GLU   6   6.882  -3.172  -1.823
   40    HB3  GLU   6           1HB      GLU   6   5.875  -4.122  -0.751
   41    HG2  GLU   6           2HG      GLU   6   8.055  -5.277  -0.084
   42    HG3  GLU   6           1HG      GLU   6   8.857  -3.931  -0.896
   43    H    VAL   7           H        VAL   7   5.446  -7.194  -1.759
   44    HA   VAL   7           HA       VAL   7   2.891  -6.109  -2.586
   45    HB   VAL   7           HB       VAL   7   3.366  -7.809  -4.282
   46   HG11  VAL   7          1HG1      VAL   7   3.806 -10.151  -3.736
   47   HG12  VAL   7          2HG1      VAL   7   3.885  -9.730  -2.023
   48   HG13  VAL   7          3HG1      VAL   7   5.077  -9.079  -3.148
   49   HG21  VAL   7          3HG2      VAL   7   1.504  -9.405  -3.900
   50   HG22  VAL   7          1HG2      VAL   7   1.060  -7.735  -3.537
   51   HG23  VAL   7          2HG2      VAL   7   1.416  -8.856  -2.229
   52    H    ILE   8           H        ILE   8   1.614  -5.930  -0.951
   53    HA   ILE   8           HA       ILE   8   2.332  -7.480   1.431
   54    HB   ILE   8           HB       ILE   8   1.635  -5.635   2.827
   55   HG12  ILE   8          2HG1      ILE   8   1.098  -4.204   0.230
   56   HG13  ILE   8          1HG1      ILE   8  -0.098  -4.692   1.404
   57   HG21  ILE   8          1HG2      ILE   8   3.611  -4.764   0.722
   58   HG22  ILE   8          2HG2      ILE   8   3.962  -5.697   2.176
   59   HG23  ILE   8          3HG2      ILE   8   3.425  -4.022   2.314
   60   HD11  ILE   8          3HD1      ILE   8   2.028  -2.609   1.874
   61   HD12  ILE   8          1HD1      ILE   8   0.809  -3.125   3.039
   62   HD13  ILE   8          2HD1      ILE   8   0.321  -2.297   1.560
   63    H    LYS   9           H        LYS   9   0.619  -7.657   2.926
   64    HA   LYS   9           HA       LYS   9  -2.048  -7.799   1.731
   65    HB2  LYS   9           2HB      LYS   9  -0.684  -9.948   3.362
   66    HB3  LYS   9           1HB      LYS   9  -2.419  -9.917   3.107
   67    HG2  LYS   9           2HG      LYS   9  -2.104 -10.169   0.718
   68    HG3  LYS   9           1HG      LYS   9  -0.355 -10.071   0.917
   69    HD2  LYS   9           2HD      LYS   9  -1.118 -12.387   0.610
   70    HD3  LYS   9           1HD      LYS   9  -0.357 -12.155   2.178
   71    HE2  LYS   9           2HE      LYS   9  -2.361 -13.559   2.340
   72    HE3  LYS   9           1HE      LYS   9  -2.559 -12.065   3.243
   73    HZ1  LYS   9           3HZ      LYS   9  -4.502 -12.721   1.942
   74    HZ2  LYS   9           1HZ      LYS   9  -3.653 -12.523   0.508
   75    HZ3  LYS   9           2HZ      LYS   9  -3.972 -11.203   1.551
   76    H    LEU  10           H        LEU  10  -2.254  -5.793   2.836
   77    HA   LEU  10           HA       LEU  10  -2.648  -6.035   5.738
   78    HB2  LEU  10           2HB      LEU  10  -1.472  -3.783   4.152
   79    HB3  LEU  10           1HB      LEU  10  -2.358  -3.446   5.604
   80    HG   LEU  10           HG       LEU  10  -0.826  -4.680   6.951
   81   HD11  LEU  10          1HD1      LEU  10   0.714  -5.196   4.415
   82   HD12  LEU  10          2HD1      LEU  10  -0.138  -6.423   5.353
   83   HD13  LEU  10          3HD1      LEU  10   1.279  -5.613   6.031
   84   HD21  LEU  10          3HD2      LEU  10   1.182  -3.288   6.676
   85   HD22  LEU  10          1HD2      LEU  10  -0.312  -2.361   6.546
   86   HD23  LEU  10          2HD2      LEU  10   0.589  -2.786   5.097
   87    H    CYS  11           H        CYS  11  -4.034  -4.161   6.457
   88    HA   CYS  11           HA       CYS  11  -6.256  -3.682   4.621
   89    HB2  CYS  11           2HB      CYS  11  -6.439  -5.014   7.227
   90    HB3  CYS  11           1HB      CYS  11  -7.875  -4.610   6.279
   91    H    GLY  12           H        GLY  12  -7.779  -2.190   5.642
   92    HA2  GLY  12           2HA      GLY  12  -8.394  -0.316   6.831
   93    HA3  GLY  12           1HA      GLY  12  -7.945  -1.300   8.185
   94    H    ARG  13           H        ARG  13  -6.726  -0.411   9.449
   95    HA   ARG  13           HA       ARG  13  -5.546   2.152   8.933
   96    HB2  ARG  13           2HB      ARG  13  -5.016   2.242  11.262
   97    HB3  ARG  13           1HB      ARG  13  -6.610   1.530  11.089
   98    HG2  ARG  13           2HG      ARG  13  -5.530  -0.713  11.336
   99    HG3  ARG  13           1HG      ARG  13  -4.040   0.132  11.743
  100    HD2  ARG  13           2HD      ARG  13  -5.144  -0.457  13.786
  101    HD3  ARG  13           1HD      ARG  13  -5.278   1.282  13.560
  102    HE   ARG  13           HE       ARG  13  -7.510   1.034  12.947
  103   HH11  ARG  13          1HH1      ARG  13  -6.052  -1.989  14.112
  104   HH12  ARG  13          2HH1      ARG  13  -7.527  -2.698  14.580
  105   HH21  ARG  13          1HH2      ARG  13  -9.580   0.005  13.592
  106   HH22  ARG  13          2HH2      ARG  13  -9.539  -1.552  14.302
  107    H    GLU  14           H        GLU  14  -4.311  -1.137   8.982
  108    HA   GLU  14           HA       GLU  14  -1.554  -0.339   9.284
  109    HB2  GLU  14           2HB      GLU  14  -2.860  -2.874   8.300
  110    HB3  GLU  14           1HB      GLU  14  -1.128  -2.667   8.461
  111    HG2  GLU  14           2HG      GLU  14  -1.430  -2.300  10.871
  112    HG3  GLU  14           1HG      GLU  14  -3.160  -2.572  10.677
  113    H    LEU  15           H        LEU  15  -3.850  -0.862   6.820
  114    HA   LEU  15           HA       LEU  15  -2.154  -0.872   4.566
  115    HB2  LEU  15           2HB      LEU  15  -4.715  -1.370   4.908
  116    HB3  LEU  15           1HB      LEU  15  -4.880   0.328   4.527
  117    HG   LEU  15           HG       LEU  15  -3.664  -0.126   2.384
  118   HD11  LEU  15          1HD1      LEU  15  -2.541  -2.159   3.032
  119   HD12  LEU  15          2HD1      LEU  15  -3.654  -2.529   1.704
  120   HD13  LEU  15          3HD1      LEU  15  -4.089  -2.916   3.377
  121   HD21  LEU  15          3HD2      LEU  15  -6.103   0.065   2.495
  122   HD22  LEU  15          1HD2      LEU  15  -6.207  -1.656   2.879
  123   HD23  LEU  15          2HD2      LEU  15  -5.589  -1.137   1.307
  124    H    VAL  16           H        VAL  16  -3.900   1.647   6.312
  125    HA   VAL  16           HA       VAL  16  -3.024   3.840   4.690
  126    HB   VAL  16           HB       VAL  16  -4.027   3.880   7.566
  127   HG11  VAL  16          1HG1      VAL  16  -4.609   6.213   7.141
  128   HG12  VAL  16          2HG1      VAL  16  -3.912   6.102   5.524
  129   HG13  VAL  16          3HG1      VAL  16  -2.875   5.950   6.943
  130   HG21  VAL  16          3HG2      VAL  16  -5.665   2.859   6.103
  131   HG22  VAL  16          1HG2      VAL  16  -5.537   4.214   4.981
  132   HG23  VAL  16          2HG2      VAL  16  -6.204   4.468   6.592
  133    H    ARG  17           H        ARG  17  -1.850   2.393   7.685
  134    HA   ARG  17           HA       ARG  17   0.256   4.147   8.166
  135    HB2  ARG  17           2HB      ARG  17  -0.022   1.218   8.722
  136    HB3  ARG  17           1HB      ARG  17   1.417   2.066   9.210
  137    HG2  ARG  17           2HG      ARG  17  -0.126   3.618  10.505
  138    HG3  ARG  17           1HG      ARG  17  -1.398   2.437  10.174
  139    HD2  ARG  17           2HD      ARG  17  -0.380   2.019  12.350
  140    HD3  ARG  17           1HD      ARG  17  -0.035   0.695  11.232
  141    HE   ARG  17           HE       ARG  17   2.079   2.398  10.983
  142   HH11  ARG  17          1HH1      ARG  17   0.687   0.561  13.679
  143   HH12  ARG  17          2HH1      ARG  17   2.139   0.527  14.577
  144   HH21  ARG  17          1HH2      ARG  17   4.069   2.266  12.189
  145   HH22  ARG  17          2HH2      ARG  17   4.103   1.501  13.703
  146    H    ALA  18           H        ALA  18   0.176   1.310   6.163
  147    HA   ALA  18           HA       ALA  18   2.861   1.416   5.280
  148    HB1  ALA  18           1HB      ALA  18   1.489  -0.598   5.043
  149    HB2  ALA  18           2HB      ALA  18   2.143  -0.098   3.483
  150    HB3  ALA  18           3HB      ALA  18   0.459   0.235   3.882
  151    H    GLN  19           H        GLN  19  -0.108   2.804   4.065
  152    HA   GLN  19           HA       GLN  19   0.817   3.911   1.676
  153    HB2  GLN  19           2HB      GLN  19  -1.296   4.712   3.607
  154    HB3  GLN  19           1HB      GLN  19  -1.121   5.634   2.161
  155    HG2  GLN  19           2HG      GLN  19  -1.414   3.364   0.989
  156    HG3  GLN  19           1HG      GLN  19  -1.964   2.785   2.562
  157   HE21  GLN  19          1HE2      GLN  19  -2.660   4.636  -0.196
  158   HE22  GLN  19          2HE2      GLN  19  -4.287   5.046   0.175
  159    H    ILE  20           H        ILE  20   0.299   5.441   4.798
  160    HA   ILE  20           HA       ILE  20   1.446   7.948   4.389
  161    HB   ILE  20           HB       ILE  20   1.429   6.321   6.953
  162   HG12  ILE  20          2HG1      ILE  20  -0.826   6.743   6.096
  163   HG13  ILE  20          1HG1      ILE  20  -0.548   7.639   7.581
  164   HG21  ILE  20          1HG2      ILE  20   1.695   8.441   8.169
  165   HG22  ILE  20          2HG2      ILE  20   1.928   9.273   6.630
  166   HG23  ILE  20          3HG2      ILE  20   3.090   8.055   7.159
  167   HD11  ILE  20          3HD1      ILE  20  -0.510   8.755   4.784
  168   HD12  ILE  20          1HD1      ILE  20  -0.190   9.676   6.254
  169   HD13  ILE  20          2HD1      ILE  20  -1.781   8.966   5.983
  170    H    ALA  21           H        ALA  21   2.988   4.977   5.494
  171    HA   ALA  21           HA       ALA  21   5.556   6.073   5.796
  172    HB1  ALA  21           1HB      ALA  21   4.808   3.207   5.231
  173    HB2  ALA  21           2HB      ALA  21   4.868   3.955   6.827
  174    HB3  ALA  21           3HB      ALA  21   6.345   3.785   5.878
  175    H    ILE  22           H        ILE  22   4.080   4.278   3.094
  176    HA   ILE  22           HA       ILE  22   6.407   4.247   1.518
  177    HB   ILE  22           HB       ILE  22   4.128   2.853   1.283
  178   HG12  ILE  22          2HG1      ILE  22   6.088   2.295  -0.037
  179   HG13  ILE  22          1HG1      ILE  22   4.647   2.249  -1.041
  180   HG21  ILE  22          1HG2      ILE  22   2.695   3.483  -0.547
  181   HG22  ILE  22          2HG2      ILE  22   3.530   5.036  -0.651
  182   HG23  ILE  22          3HG2      ILE  22   2.628   4.622   0.803
  183   HD11  ILE  22          3HD1      ILE  22   5.283   4.419  -2.002
  184   HD12  ILE  22          1HD1      ILE  22   6.523   3.184  -2.245
  185   HD13  ILE  22          2HD1      ILE  22   6.733   4.415  -1.001
  186    H    CYS  23           H        CYS  23   3.726   6.530   1.625
  187    HA   CYS  23           HA       CYS  23   4.712   7.949  -0.660
  188    HB2  CYS  23           2HB      CYS  23   2.261   7.656   0.038
  189    HB3  CYS  23           1HB      CYS  23   2.571   8.931   1.209
  190    H    GLY  24           H        GLY  24   5.168   8.093   2.732
  191    HA2  GLY  24           2HA      GLY  24   6.187  10.799   2.687
  192    HA3  GLY  24           1HA      GLY  24   6.186   9.701   4.063
  193    H    MET  25           H        MET  25   7.434   7.525   2.675
  194    HA   MET  25           HA       MET  25  10.197   8.433   2.889
  195    HB2  MET  25           2HB      MET  25   8.954   5.706   2.738
  196    HB3  MET  25           1HB      MET  25  10.692   5.982   2.829
  197    HG2  MET  25           2HG      MET  25  10.410   7.011   5.005
  198    HG3  MET  25           1HG      MET  25   8.662   6.803   4.886
  199    HE1  MET  25           3HE      MET  25  12.124   4.979   5.083
  200    HE2  MET  25           1HE      MET  25  11.396   4.211   3.673
  201    HE3  MET  25           2HE      MET  25  11.641   3.284   5.152
  202    H    SER  26           H        SER  26   8.747   9.154   0.560
  203    HA   SER  26           HA       SER  26   9.576   7.402  -1.591
  204    HB2  SER  26           2HB      SER  26   8.333  10.151  -1.717
  205    HB3  SER  26           1HB      SER  26   8.474   8.999  -3.043
  206    HG   SER  26           HG       SER  26   7.280   7.821  -0.914
  207    H    THR  27           H        THR  27  11.507   8.913   0.192
  208    HA   THR  27           HA       THR  27  12.899  10.798  -1.422
  209    HB   THR  27           HB       THR  27  13.941   9.276   0.967
  210    HG1  THR  27           1HG      THR  27  12.041  11.343   0.725
  211   HG21  THR  27          3HG2      THR  27  14.464  12.092  -0.028
  212   HG22  THR  27          1HG2      THR  27  15.564  10.725  -0.204
  213   HG23  THR  27          2HG2      THR  27  15.188  11.352   1.401
  214    H    TRP  28           H        TRP  28  12.764   7.575  -1.203
  215    HA   TRP  28           HA       TRP  28  15.341   7.093  -2.526
  216    HB2  TRP  28           2HB      TRP  28  14.893   5.697  -0.554
  217    HB3  TRP  28           1HB      TRP  28  13.403   5.125  -1.287
  218    HD1  TRP  28           HD       TRP  28  13.567   3.040  -2.789
  219    HE1  TRP  28           1HE      TRP  28  15.490   1.545  -3.605
  220    HE3  TRP  28           3HE      TRP  28  17.541   5.889  -1.304
  221    HZ2  TRP  28           2HZ      TRP  28  18.290   1.550  -3.631
  222    HZ3  TRP  28           3HZ      TRP  28  19.812   5.069  -1.767
  223    HH2  TRP  28           HH       TRP  28  20.178   2.944  -2.907
  224    H    SER  29           H        SER  29  15.408   6.544  -4.608
  225    HA   SER  29           HA       SER  29  12.896   6.314  -6.044
  226    HB2  SER  29           2HB      SER  29  15.736   6.581  -7.082
  227    HB3  SER  29           1HB      SER  29  14.267   6.648  -8.058
  228    HG   SER  29           HG       SER  29  15.127   8.467  -6.065
  229    HN1  NH2  30           HT1      SER  29  12.263   4.272  -5.578
  230    HN2  NH2  30           HT2      SER  29  13.138   2.843  -5.984
  231    HA   PCA   1           HA       PCA   1 -14.509   4.480  -5.400
  232    HB2  PCA   1           2HB      PCA   1 -13.124   4.570  -2.857
  233    HB3  PCA   1           1HB      PCA   1 -14.213   5.784  -3.583
  234    HG2  PCA   1           2HG      PCA   1 -14.778   4.037  -1.403
  235    HG3  PCA   1           1HG      PCA   1 -15.956   5.074  -2.274
  236    H    LEU   2           H        LEU   2 -12.145   4.984  -5.449
  237    HA   LEU   2           HA       LEU   2 -10.661   2.587  -6.187
  238    HB2  LEU   2           2HB      LEU   2  -9.698   5.429  -5.960
  239    HB3  LEU   2           1HB      LEU   2  -8.858   4.089  -6.715
  240    HG   LEU   2           HG       LEU   2 -11.390   5.383  -7.714
  241   HD11  LEU   2          1HD1      LEU   2  -8.574   5.413  -8.767
  242   HD12  LEU   2          2HD1      LEU   2  -9.436   6.769  -8.036
  243   HD13  LEU   2          3HD1      LEU   2  -9.978   6.104  -9.577
  244   HD21  LEU   2          3HD2      LEU   2  -9.759   3.121  -8.872
  245   HD22  LEU   2          1HD2      LEU   2 -11.090   3.939  -9.690
  246   HD23  LEU   2          2HD2      LEU   2 -11.397   3.007  -8.228
  247    H    TYR   3           H        TYR   3 -10.671   4.613  -3.419
  248    HA   TYR   3           HA       TYR   3  -8.430   3.184  -2.531
  249    HB2  TYR   3           2HB      TYR   3  -8.877   5.416  -1.614
  250    HB3  TYR   3           1HB      TYR   3 -10.343   4.801  -0.834
  251    HD1  TYR   3           2HD      TYR   3  -6.858   3.718  -1.263
  252    HD2  TYR   3           1HD      TYR   3 -10.088   4.293   1.403
  253    HE1  TYR   3           2HE      TYR   3  -5.539   2.793   0.431
  254    HE2  TYR   3           1HE      TYR   3  -8.770   3.338   3.221
  255    HH   TYR   3           HH       TYR   3  -5.417   2.889   2.935
  256    H    SER   4           H        SER   4 -11.884   2.814  -2.078
  257    HA   SER   4           HA       SER   4 -11.738   0.696  -0.262
  258    HB2  SER   4           2HB      SER   4 -13.825   1.965  -0.744
  259    HB3  SER   4           1HB      SER   4 -13.895   1.205  -2.331
  260    HG   SER   4           HG       SER   4 -14.944  -0.299  -1.376
  261    H    ALA   5           H        ALA   5 -11.601   0.756  -3.793
  262    HA   ALA   5           HA       ALA   5 -11.639  -2.005  -4.257
  263    HB1  ALA   5           1HB      ALA   5 -11.813  -0.323  -6.060
  264    HB2  ALA   5           2HB      ALA   5 -10.542  -1.500  -6.388
  265    HB3  ALA   5           3HB      ALA   5 -10.124   0.108  -5.802
  266    H    LEU   6           H        LEU   6  -8.925   0.194  -3.679
  267    HA   LEU   6           HA       LEU   6  -6.897  -1.748  -3.737
  268    HB2  LEU   6           2HB      LEU   6  -6.536   0.724  -3.840
  269    HB3  LEU   6           1HB      LEU   6  -6.985   0.834  -2.153
  270    HG   LEU   6           HG       LEU   6  -5.009  -0.611  -1.608
  271   HD11  LEU   6          1HD1      LEU   6  -3.245  -0.823  -3.286
  272   HD12  LEU   6          2HD1      LEU   6  -4.325  -0.137  -4.500
  273   HD13  LEU   6          3HD1      LEU   6  -4.709  -1.687  -3.750
  274   HD21  LEU   6          3HD2      LEU   6  -3.351   1.202  -1.899
  275   HD22  LEU   6          1HD2      LEU   6  -4.907   1.807  -1.333
  276   HD23  LEU   6          2HD2      LEU   6  -4.449   1.998  -3.021
  277    H    ALA   7           H        ALA   7  -8.749  -0.355  -1.053
  278    HA   ALA   7           HA       ALA   7  -7.631  -1.666   1.096
  279    HB1  ALA   7           1HB      ALA   7 -10.541  -0.948   0.764
  280    HB2  ALA   7           2HB      ALA   7  -9.270   0.159   1.283
  281    HB3  ALA   7           3HB      ALA   7  -9.702  -1.222   2.291
  282    H    ASN   8           H        ASN   8 -10.379  -2.752  -0.868
  283    HA   ASN   8           HA       ASN   8 -10.687  -5.225   0.486
  284    HB2  ASN   8           2HB      ASN   8 -11.600  -4.285  -2.226
  285    HB3  ASN   8           1HB      ASN   8 -11.837  -5.949  -1.717
  286   HD21  ASN   8          1HD2      ASN   8 -12.756  -2.634  -1.203
  287   HD22  ASN   8          2HD2      ASN   8 -14.166  -2.973  -0.273
  288    H    LYS   9           H        LYS   9  -8.927  -4.299  -2.418
  289    HA   LYS   9           HA       LYS   9  -8.185  -6.878  -3.222
  290    HB2  LYS   9           2HB      LYS   9  -7.999  -4.772  -4.630
  291    HB3  LYS   9           1HB      LYS   9  -6.624  -4.341  -3.650
  292    HG2  LYS   9           2HG      LYS   9  -5.409  -6.309  -4.373
  293    HG3  LYS   9           1HG      LYS   9  -6.786  -6.811  -5.352
  294    HD2  LYS   9           2HD      LYS   9  -6.581  -4.731  -6.660
  295    HD3  LYS   9           1HD      LYS   9  -5.165  -4.291  -5.703
  296    HE2  LYS   9           2HE      LYS   9  -5.423  -6.777  -7.382
  297    HE3  LYS   9           1HE      LYS   9  -4.585  -5.315  -7.882
  298    HZ1  LYS   9           3HZ      LYS   9  -3.812  -6.948  -5.498
  299    HZ2  LYS   9           1HZ      LYS   9  -2.996  -5.622  -6.151
  300    HZ3  LYS   9           2HZ      LYS   9  -3.112  -7.055  -7.022
  301    H    CYS  10           H        CYS  10  -6.366  -4.552  -1.260
  302    HA   CYS  10           HA       CYS  10  -4.134  -6.269  -0.918
  303    HB2  CYS  10           2HB      CYS  10  -5.053  -4.096   0.959
  304    HB3  CYS  10           1HB      CYS  10  -3.423  -4.727   0.780
  305    H    CYS  11           H        CYS  11  -7.169  -5.901   0.755
  306    HA   CYS  11           HA       CYS  11  -6.293  -7.309   3.074
  307    HB2  CYS  11           2HB      CYS  11  -8.149  -5.496   2.819
  308    HB3  CYS  11           1HB      CYS  11  -9.162  -6.852   2.351
  309    H    HIS  12           H        HIS  12  -7.736  -8.114   0.003
  310    HA   HIS  12           HA       HIS  12  -8.431 -10.758   0.950
  311    HB2  HIS  12           2HB      HIS  12  -8.819  -9.413  -1.726
  312    HB3  HIS  12           1HB      HIS  12  -9.219 -11.100  -1.439
  313    HD1  HIS  12           1HD      HIS  12 -11.711 -10.049  -2.159
  314    HD2  HIS  12           2HD      HIS  12 -10.169  -9.051   1.557
  315    HE1  HIS  12           1HE      HIS  12 -13.663  -9.207  -0.794
  316    H    VAL  13           H        VAL  13  -6.507  -9.450  -1.703
  317    HA   VAL  13           HA       VAL  13  -5.045 -11.985  -1.667
  318    HB   VAL  13           HB       VAL  13  -4.413 -11.462  -4.024
  319   HG11  VAL  13          1HG1      VAL  13  -7.356 -11.784  -3.375
  320   HG12  VAL  13          2HG1      VAL  13  -6.178 -13.091  -3.490
  321   HG13  VAL  13          3HG1      VAL  13  -6.645 -12.188  -4.937
  322   HG21  VAL  13          3HG2      VAL  13  -5.875  -9.938  -5.323
  323   HG22  VAL  13          1HG2      VAL  13  -4.915  -9.083  -4.114
  324   HG23  VAL  13          2HG2      VAL  13  -6.622  -9.407  -3.816
  325    H    GLY  14           H        GLY  14  -4.704  -8.610  -2.182
  326    HA2  GLY  14           2HA      GLY  14  -2.887  -7.698  -0.668
  327    HA3  GLY  14           1HA      GLY  14  -1.844  -8.776  -1.524
  328    H    CYS  15           H        CYS  15  -1.069  -6.365  -1.730
  329    HA   CYS  15           HA       CYS  15  -1.618  -5.656  -4.469
  330    HB2  CYS  15           2HB      CYS  15  -1.906  -3.266  -3.830
  331    HB3  CYS  15           1HB      CYS  15  -3.250  -4.305  -3.371
  332    H    THR  16           H        THR  16  -0.031  -3.996  -5.181
  333    HA   THR  16           HA       THR  16   2.443  -4.632  -4.002
  334    HB   THR  16           HB       THR  16   3.307  -3.168  -5.895
  335    HG1  THR  16           1HG      THR  16   1.469  -3.201  -7.577
  336   HG21  THR  16          3HG2      THR  16   1.623  -5.589  -6.577
  337   HG22  THR  16          1HG2      THR  16   3.288  -5.626  -5.994
  338   HG23  THR  16          2HG2      THR  16   2.921  -4.922  -7.568
  339    H    LYS  17           H        LYS  17   3.776  -3.217  -3.128
  340    HA   LYS  17           HA       LYS  17   2.713  -1.055  -1.531
  341    HB2  LYS  17           2HB      LYS  17   4.702  -2.568  -1.156
  342    HB3  LYS  17           1HB      LYS  17   5.598  -1.621  -2.298
  343    HG2  LYS  17           2HG      LYS  17   6.199  -1.061  -0.112
  344    HG3  LYS  17           1HG      LYS  17   5.333   0.323  -0.797
  345    HD2  LYS  17           2HD      LYS  17   3.408  -0.152   0.507
  346    HD3  LYS  17           1HD      LYS  17   3.994  -1.771   0.909
  347    HE2  LYS  17           2HE      LYS  17   5.346   0.783   1.766
  348    HE3  LYS  17           1HE      LYS  17   4.210  -0.118   2.767
  349    HZ1  LYS  17           3HZ      LYS  17   6.549  -0.638   3.246
  350    HZ2  LYS  17           1HZ      LYS  17   6.765  -1.307   1.711
  351    HZ3  LYS  17           2HZ      LYS  17   5.676  -1.977   2.811
  352    H    ARG  18           H        ARG  18   4.133  -1.328  -4.611
  353    HA   ARG  18           HA       ARG  18   4.524   1.405  -5.263
  354    HB2  ARG  18           2HB      ARG  18   3.771  -0.858  -7.102
  355    HB3  ARG  18           1HB      ARG  18   4.497   0.672  -7.557
  356    HG2  ARG  18           2HG      ARG  18   6.531   0.076  -6.377
  357    HG3  ARG  18           1HG      ARG  18   5.792  -1.443  -5.862
  358    HD2  ARG  18           2HD      ARG  18   6.357  -0.585  -8.694
  359    HD3  ARG  18           1HD      ARG  18   7.219  -1.819  -7.780
  360    HE   ARG  18           HE       ARG  18   4.351  -2.095  -8.400
  361   HH11  ARG  18          1HH1      ARG  18   7.646  -3.429  -8.546
  362   HH12  ARG  18          2HH1      ARG  18   7.144  -4.894  -9.236
  363   HH21  ARG  18          1HH2      ARG  18   3.697  -4.121  -9.335
  364   HH22  ARG  18          2HH2      ARG  18   4.875  -5.312  -9.649
  365    H    SER  19           H        SER  19   1.707  -0.688  -5.176
  366    HA   SER  19           HA       SER  19   0.103   0.968  -6.834
  367    HB2  SER  19           2HB      SER  19  -1.669  -0.636  -6.462
  368    HB3  SER  19           1HB      SER  19  -0.166  -1.580  -6.320
  369    HG   SER  19           HG       SER  19  -0.331  -1.574  -4.165
  370    H    LEU  20           H        LEU  20   0.395   0.436  -3.341
  371    HA   LEU  20           HA       LEU  20  -1.455   2.552  -2.700
  372    HB2  LEU  20           2HB      LEU  20   0.707   1.895  -0.660
  373    HB3  LEU  20           1HB      LEU  20  -0.892   2.477  -0.511
  374    HG   LEU  20           HG       LEU  20  -1.759   0.200  -1.191
  375   HD11  LEU  20          1HD1      LEU  20  -0.318  -1.677  -0.740
  376   HD12  LEU  20          2HD1      LEU  20   1.035  -0.583  -0.482
  377   HD13  LEU  20          3HD1      LEU  20   0.302  -0.720  -2.085
  378   HD21  LEU  20          3HD2      LEU  20  -1.518  -0.671   1.066
  379   HD22  LEU  20          1HD2      LEU  20  -1.878   1.059   1.079
  380   HD23  LEU  20          2HD2      LEU  20  -0.227   0.490   1.366
  381    H    ALA  21           H        ALA  21   1.815   2.410  -3.417
  382    HA   ALA  21           HA       ALA  21   2.628   4.989  -2.645
  383    HB1  ALA  21           1HB      ALA  21   4.197   3.267  -3.440
  384    HB2  ALA  21           2HB      ALA  21   4.423   4.816  -4.256
  385    HB3  ALA  21           3HB      ALA  21   3.587   3.498  -5.076
  386    H    ARG  22           H        ARG  22   0.983   3.957  -5.605
  387    HA   ARG  22           HA       ARG  22   1.135   6.650  -6.605
  388    HB2  ARG  22           2HB      ARG  22  -0.077   5.898  -8.564
  389    HB3  ARG  22           1HB      ARG  22   1.218   4.776  -8.205
  390    HG2  ARG  22           2HG      ARG  22  -0.460   3.278  -7.159
  391    HG3  ARG  22           1HG      ARG  22  -1.717   4.396  -7.688
  392    HD2  ARG  22           2HD      ARG  22   0.198   2.855  -9.432
  393    HD3  ARG  22           1HD      ARG  22  -1.535   2.590  -9.273
  394    HE   ARG  22           HE       ARG  22  -0.435   5.099 -10.342
  395   HH11  ARG  22          1HH1      ARG  22  -2.607   2.308 -10.701
  396   HH12  ARG  22          2HH1      ARG  22  -3.313   2.873 -12.145
  397   HH21  ARG  22          1HH2      ARG  22  -1.403   5.850 -12.343
  398   HH22  ARG  22          2HH2      ARG  22  -2.592   4.916 -13.124
  399    H    PHE  23           H        PHE  23  -0.879   5.070  -4.483
  400    HA   PHE  23           HA       PHE  23  -3.089   6.893  -5.013
  401    HB2  PHE  23           2HB      PHE  23  -2.887   4.519  -3.179
  402    HB3  PHE  23           1HB      PHE  23  -4.195   5.681  -3.030
  403    HD1  PHE  23           1HD      PHE  23  -5.687   6.065  -5.027
  404    HD2  PHE  23           2HD      PHE  23  -2.991   2.791  -4.765
  405    HE1  PHE  23           1HE      PHE  23  -6.975   4.877  -6.743
  406    HE2  PHE  23           2HE      PHE  23  -4.271   1.591  -6.484
  407    HZ   PHE  23           HZ       PHE  23  -6.271   2.631  -7.477
  408    H    CYS  24           H        CYS  24  -1.102   6.021  -2.320
  409    HA   CYS  24           HA       CYS  24  -0.359   7.135  -0.489
  410    HB2  CYS  24           2HB      CYS  24  -1.001   9.618  -2.092
  411    HB3  CYS  24           1HB      CYS  24  -0.185   9.633  -0.535
  412    HN1  NH2  25           HT1      CYS  24  -2.933   9.426  -1.286
  413    HN2  NH2  25           HT2      CYS  24  -3.822   9.160   0.172
  Start of MODEL    2
    1    H1   ASP   1           1HT      ASP   1  10.112  -1.903   1.649
    2    H2   ASP   1           2HT      ASP   1  11.135  -2.845   2.599
    3    H3   ASP   1           3HT      ASP   1  10.699  -3.351   1.042
    4    HA   ASP   1           HA       ASP   1  12.229  -0.911   1.652
    5    HB2  ASP   1           2HB      ASP   1  13.592  -2.817   2.257
    6    HB3  ASP   1           1HB      ASP   1  13.227  -3.598   0.730
    7    H    SER   2           H        SER   2  11.512  -3.286  -0.834
    8    HA   SER   2           HA       SER   2  12.306  -1.475  -2.909
    9    HB2  SER   2           2HB      SER   2  10.836  -4.068  -3.161
   10    HB3  SER   2           1HB      SER   2  11.790  -3.260  -4.395
   11    HG   SER   2           HG       SER   2  13.540  -3.376  -2.779
   12    H    TRP   3           H        TRP   3  11.028  -0.521  -4.365
   13    HA   TRP   3           HA       TRP   3   8.376  -0.026  -3.334
   14    HB2  TRP   3           2HB      TRP   3   9.958   1.668  -5.253
   15    HB3  TRP   3           1HB      TRP   3   8.337   2.042  -4.676
   16    HD1  TRP   3           HD       TRP   3  11.543   3.279  -4.064
   17    HE1  TRP   3           1HE      TRP   3  11.936   4.071  -1.635
   18    HE3  TRP   3           3HE      TRP   3   7.627   0.895  -1.785
   19    HZ2  TRP   3           2HZ      TRP   3  10.744   3.698   0.899
   20    HZ3  TRP   3           3HZ      TRP   3   7.345   1.146   0.619
   21    HH2  TRP   3           HH       TRP   3   8.835   2.504   1.937
   22    H    MET   4           H        MET   4   9.810  -0.697  -6.548
   23    HA   MET   4           HA       MET   4   7.327  -0.515  -7.900
   24    HB2  MET   4           2HB      MET   4   9.725  -2.133  -8.756
   25    HB3  MET   4           1HB      MET   4   8.364  -1.719  -9.762
   26    HG2  MET   4           2HG      MET   4  10.160  -0.335 -10.386
   27    HG3  MET   4           1HG      MET   4   9.026   0.680  -9.503
   28    HE1  MET   4           3HE      MET   4  12.162   1.108 -10.293
   29    HE2  MET   4           1HE      MET   4  12.756   1.953  -8.864
   30    HE3  MET   4           2HE      MET   4  11.198   2.393  -9.570
   31    H    GLU   5           H        GLU   5   9.109  -3.325  -6.691
   32    HA   GLU   5           HA       GLU   5   6.588  -4.740  -6.892
   33    HB2  GLU   5           2HB      GLU   5   8.006  -5.412  -8.791
   34    HB3  GLU   5           1HB      GLU   5   9.235  -5.964  -7.660
   35    HG2  GLU   5           2HG      GLU   5   7.672  -7.594  -6.751
   36    HG3  GLU   5           1HG      GLU   5   6.432  -7.035  -7.863
   37    H    GLU   6           H        GLU   6   6.274  -4.370  -4.796
   38    HA   GLU   6           HA       GLU   6   7.455  -6.412  -3.136
   39    HB2  GLU   6           2HB      GLU   6   8.353  -3.900  -2.596
   40    HB3  GLU   6           1HB      GLU   6   6.713  -3.791  -2.010
   41    HG2  GLU   6           2HG      GLU   6   6.938  -5.277  -0.320
   42    HG3  GLU   6           1HG      GLU   6   8.362  -6.032  -1.016
   43    H    VAL   7           H        VAL   7   5.877  -6.999  -1.584
   44    HA   VAL   7           HA       VAL   7   3.183  -6.114  -2.254
   45    HB   VAL   7           HB       VAL   7   3.644  -7.954  -3.816
   46   HG11  VAL   7          1HG1      VAL   7   3.924 -10.262  -3.051
   47   HG12  VAL   7          2HG1      VAL   7   4.046  -9.684  -1.391
   48   HG13  VAL   7          3HG1      VAL   7   5.268  -9.223  -2.576
   49   HG21  VAL   7          3HG2      VAL   7   1.618  -8.702  -1.705
   50   HG22  VAL   7          1HG2      VAL   7   1.681  -9.364  -3.339
   51   HG23  VAL   7          2HG2      VAL   7   1.344  -7.651  -3.091
   52    H    ILE   8           H        ILE   8   1.748  -6.221  -0.676
   53    HA   ILE   8           HA       ILE   8   2.384  -7.655   1.775
   54    HB   ILE   8           HB       ILE   8   1.585  -5.721   3.126
   55   HG12  ILE   8          2HG1      ILE   8   1.752  -4.280   0.490
   56   HG13  ILE   8          1HG1      ILE   8   0.309  -4.557   1.439
   57   HG21  ILE   8          1HG2      ILE   8   4.048  -5.165   1.484
   58   HG22  ILE   8          2HG2      ILE   8   3.963  -6.110   2.973
   59   HG23  ILE   8          3HG2      ILE   8   3.636  -4.378   3.007
   60   HD11  ILE   8          3HD1      ILE   8   1.127  -3.078   3.189
   61   HD12  ILE   8          1HD1      ILE   8   1.083  -2.247   1.638
   62   HD13  ILE   8          2HD1      ILE   8   2.619  -2.817   2.288
   63    H    LYS   9           H        LYS   9   0.413  -7.456   3.219
   64    HA   LYS   9           HA       LYS   9  -2.071  -7.481   1.694
   65    HB2  LYS   9           2HB      LYS   9  -1.157  -9.712   3.529
   66    HB3  LYS   9           1HB      LYS   9  -2.804  -9.534   2.959
   67    HG2  LYS   9           2HG      LYS   9  -2.082  -9.892   0.681
   68    HG3  LYS   9           1HG      LYS   9  -0.398  -9.962   1.213
   69    HD2  LYS   9           2HD      LYS   9  -0.889 -11.942   2.552
   70    HD3  LYS   9           1HD      LYS   9  -2.591 -11.847   2.106
   71    HE2  LYS   9           2HE      LYS   9  -1.452 -13.561   0.802
   72    HE3  LYS   9           1HE      LYS   9  -1.991 -12.245  -0.236
   73    HZ1  LYS   9           3HZ      LYS   9   0.279 -11.379  -0.235
   74    HZ2  LYS   9           1HZ      LYS   9   0.241 -12.954  -0.796
   75    HZ3  LYS   9           2HZ      LYS   9   0.780 -12.629   0.759
   76    H    LEU  10           H        LEU  10  -2.534  -5.557   2.755
   77    HA   LEU  10           HA       LEU  10  -3.154  -5.823   5.613
   78    HB2  LEU  10           2HB      LEU  10  -1.737  -3.583   4.315
   79    HB3  LEU  10           1HB      LEU  10  -2.828  -3.238   5.627
   80    HG   LEU  10           HG       LEU  10  -0.985  -3.332   6.694
   81   HD11  LEU  10          1HD1      LEU  10  -0.663  -5.362   7.994
   82   HD12  LEU  10          2HD1      LEU  10  -1.666  -6.237   6.855
   83   HD13  LEU  10          3HD1      LEU  10  -2.355  -4.905   7.797
   84   HD21  LEU  10          3HD2      LEU  10   0.608  -3.768   4.988
   85   HD22  LEU  10          1HD2      LEU  10   0.113  -5.461   4.876
   86   HD23  LEU  10          2HD2      LEU  10   0.962  -4.885   6.306
   87    H    CYS  11           H        CYS  11  -4.374  -3.817   6.325
   88    HA   CYS  11           HA       CYS  11  -6.612  -3.298   4.505
   89    HB2  CYS  11           2HB      CYS  11  -6.887  -4.603   7.085
   90    HB3  CYS  11           1HB      CYS  11  -8.266  -4.342   6.001
   91    H    GLY  12           H        GLY  12  -8.127  -1.779   5.643
   92    HA2  GLY  12           2HA      GLY  12  -8.648   0.014   6.962
   93    HA3  GLY  12           1HA      GLY  12  -8.030  -0.978   8.263
   94    H    ARG  13           H        ARG  13  -6.980   0.425   9.462
   95    HA   ARG  13           HA       ARG  13  -5.384   2.430   8.232
   96    HB2  ARG  13           2HB      ARG  13  -5.047   3.433  10.361
   97    HB3  ARG  13           1HB      ARG  13  -6.708   2.898  10.299
   98    HG2  ARG  13           2HG      ARG  13  -4.438   1.661  11.845
   99    HG3  ARG  13           1HG      ARG  13  -5.812   2.545  12.489
  100    HD2  ARG  13           2HD      ARG  13  -5.826  -0.157  11.157
  101    HD3  ARG  13           1HD      ARG  13  -6.105   0.184  12.858
  102    HE   ARG  13           HE       ARG  13  -8.055   1.576  11.573
  103   HH11  ARG  13          1HH1      ARG  13  -6.987  -1.822  11.441
  104   HH12  ARG  13          2HH1      ARG  13  -8.570  -2.442  11.241
  105   HH21  ARG  13          1HH2      ARG  13 -10.181   0.717  11.188
  106   HH22  ARG  13          2HH2      ARG  13 -10.427  -0.983  11.120
  107    H    GLU  14           H        GLU  14  -4.742  -0.801   8.926
  108    HA   GLU  14           HA       GLU  14  -1.973  -0.486   9.603
  109    HB2  GLU  14           2HB      GLU  14  -3.692  -2.790   8.667
  110    HB3  GLU  14           1HB      GLU  14  -1.954  -2.946   8.809
  111    HG2  GLU  14           2HG      GLU  14  -3.189  -3.874  10.727
  112    HG3  GLU  14           1HG      GLU  14  -2.056  -2.609  11.177
  113    H    LEU  15           H        LEU  15  -4.019  -0.677   6.903
  114    HA   LEU  15           HA       LEU  15  -2.138  -1.078   4.805
  115    HB2  LEU  15           2HB      LEU  15  -4.673  -1.366   4.892
  116    HB3  LEU  15           1HB      LEU  15  -4.757   0.370   4.749
  117    HG   LEU  15           HG       LEU  15  -3.452   0.076   2.578
  118   HD11  LEU  15          1HD1      LEU  15  -3.805  -2.174   1.571
  119   HD12  LEU  15          2HD1      LEU  15  -4.352  -2.712   3.182
  120   HD13  LEU  15          3HD1      LEU  15  -2.700  -2.169   2.952
  121   HD21  LEU  15          3HD2      LEU  15  -5.817   0.661   2.736
  122   HD22  LEU  15          1HD2      LEU  15  -6.212  -1.052   2.870
  123   HD23  LEU  15          2HD2      LEU  15  -5.496  -0.421   1.376
  124    H    VAL  16           H        VAL  16  -3.789   1.636   6.344
  125    HA   VAL  16           HA       VAL  16  -2.734   3.726   4.776
  126    HB   VAL  16           HB       VAL  16  -3.821   3.798   7.611
  127   HG11  VAL  16          1HG1      VAL  16  -3.343   6.052   5.676
  128   HG12  VAL  16          2HG1      VAL  16  -2.491   5.782   7.196
  129   HG13  VAL  16          3HG1      VAL  16  -4.207   6.194   7.204
  130   HG21  VAL  16          3HG2      VAL  16  -5.146   4.393   4.972
  131   HG22  VAL  16          1HG2      VAL  16  -5.887   4.570   6.562
  132   HG23  VAL  16          2HG2      VAL  16  -5.428   2.970   5.974
  133    H    ARG  17           H        ARG  17  -1.726   2.330   7.819
  134    HA   ARG  17           HA       ARG  17   0.416   3.867   8.626
  135    HB2  ARG  17           2HB      ARG  17  -0.663   1.702   9.565
  136    HB3  ARG  17           1HB      ARG  17   0.430   0.888   8.519
  137    HG2  ARG  17           2HG      ARG  17   2.366   1.684   9.608
  138    HG3  ARG  17           1HG      ARG  17   1.427   2.794  10.608
  139    HD2  ARG  17           2HD      ARG  17   2.067   0.801  11.881
  140    HD3  ARG  17           1HD      ARG  17   0.322   0.910  11.692
  141    HE   ARG  17           HE       ARG  17   1.690  -0.710   9.728
  142   HH11  ARG  17          1HH1      ARG  17  -0.053  -0.690  12.786
  143   HH12  ARG  17          2HH1      ARG  17  -0.386  -2.346  12.819
  144   HH21  ARG  17          1HH2      ARG  17   1.226  -3.013   9.714
  145   HH22  ARG  17          2HH2      ARG  17   0.348  -3.712  10.990
  146    H    ALA  18           H        ALA  18   0.395   1.097   6.605
  147    HA   ALA  18           HA       ALA  18   3.049   1.169   5.637
  148    HB1  ALA  18           1HB      ALA  18   0.633   0.050   4.210
  149    HB2  ALA  18           2HB      ALA  18   1.618  -0.818   5.386
  150    HB3  ALA  18           3HB      ALA  18   2.315  -0.325   3.844
  151    H    GLN  19           H        GLN  19   0.082   2.375   4.110
  152    HA   GLN  19           HA       GLN  19   0.988   3.448   1.761
  153    HB2  GLN  19           2HB      GLN  19  -1.069   4.419   3.678
  154    HB3  GLN  19           1HB      GLN  19  -0.835   5.215   2.145
  155    HG2  GLN  19           2HG      GLN  19  -1.261   3.066   1.045
  156    HG3  GLN  19           1HG      GLN  19  -1.577   2.327   2.619
  157   HE21  GLN  19          1HE2      GLN  19  -3.239   2.447   0.355
  158   HE22  GLN  19          2HE2      GLN  19  -4.676   3.271   0.805
  159    H    ILE  20           H        ILE  20   0.631   5.218   4.766
  160    HA   ILE  20           HA       ILE  20   1.772   7.653   4.035
  161    HB   ILE  20           HB       ILE  20   1.846   6.346   6.772
  162   HG12  ILE  20          2HG1      ILE  20  -0.432   6.629   5.973
  163   HG13  ILE  20          1HG1      ILE  20  -0.115   7.779   7.264
  164   HG21  ILE  20          1HG2      ILE  20   3.507   8.126   6.665
  165   HG22  ILE  20          2HG2      ILE  20   2.166   8.584   7.710
  166   HG23  ILE  20          3HG2      ILE  20   2.280   9.253   6.083
  167   HD11  ILE  20          3HD1      ILE  20  -1.403   8.806   5.501
  168   HD12  ILE  20          1HD1      ILE  20  -0.174   8.380   4.311
  169   HD13  ILE  20          2HD1      ILE  20   0.197   9.542   5.583
  170    H    ALA  21           H        ALA  21   3.367   4.768   5.276
  171    HA   ALA  21           HA       ALA  21   5.965   5.885   5.436
  172    HB1  ALA  21           1HB      ALA  21   5.177   3.006   4.992
  173    HB2  ALA  21           2HB      ALA  21   5.370   3.784   6.561
  174    HB3  ALA  21           3HB      ALA  21   6.765   3.576   5.499
  175    H    ILE  22           H        ILE  22   4.233   4.227   2.894
  176    HA   ILE  22           HA       ILE  22   6.450   4.048   1.100
  177    HB   ILE  22           HB       ILE  22   3.519   3.932   0.363
  178   HG12  ILE  22          2HG1      ILE  22   5.313   1.608   1.054
  179   HG13  ILE  22          1HG1      ILE  22   4.206   2.345   2.208
  180   HG21  ILE  22          1HG2      ILE  22   6.003   2.795  -0.928
  181   HG22  ILE  22          2HG2      ILE  22   5.067   4.165  -1.518
  182   HG23  ILE  22          3HG2      ILE  22   4.353   2.545  -1.494
  183   HD11  ILE  22          3HD1      ILE  22   3.252   0.354   1.197
  184   HD12  ILE  22          1HD1      ILE  22   3.429   1.086  -0.401
  185   HD13  ILE  22          2HD1      ILE  22   2.334   1.803   0.784
  186    H    CYS  23           H        CYS  23   3.616   6.214   1.257
  187    HA   CYS  23           HA       CYS  23   4.364   7.602  -1.133
  188    HB2  CYS  23           2HB      CYS  23   2.270   7.973   0.938
  189    HB3  CYS  23           1HB      CYS  23   2.607   9.267  -0.200
  190    H    GLY  24           H        GLY  24   4.989   8.048   2.182
  191    HA2  GLY  24           2HA      GLY  24   5.873  10.719   2.097
  192    HA3  GLY  24           1HA      GLY  24   6.378   9.518   3.280
  193    H    MET  25           H        MET  25   7.328   7.769   1.013
  194    HA   MET  25           HA       MET  25   9.658   9.269   0.162
  195    HB2  MET  25           2HB      MET  25  11.192   7.453   0.963
  196    HB3  MET  25           1HB      MET  25  10.452   8.414   2.235
  197    HG2  MET  25           2HG      MET  25   8.800   6.601   2.555
  198    HG3  MET  25           1HG      MET  25   9.682   5.645   1.366
  199    HE1  MET  25           3HE      MET  25  10.440   3.986   4.875
  200    HE2  MET  25           1HE      MET  25   9.795   3.711   3.256
  201    HE3  MET  25           2HE      MET  25   8.953   4.788   4.367
  202    H    SER  26           H        SER  26   7.725   8.570  -1.554
  203    HA   SER  26           HA       SER  26   8.440   6.091  -2.856
  204    HB2  SER  26           2HB      SER  26   6.587   8.300  -3.830
  205    HB3  SER  26           1HB      SER  26   6.752   6.702  -4.544
  206    HG   SER  26           HG       SER  26   6.203   6.533  -1.893
  207    H    THR  27           H        THR  27  10.652   6.905  -2.888
  208    HA   THR  27           HA       THR  27  11.481   8.986  -4.637
  209    HB   THR  27           HB       THR  27  13.145   6.693  -3.642
  210    HG1  THR  27           1HG      THR  27  12.310   9.105  -2.392
  211   HG21  THR  27          3HG2      THR  27  13.840   9.566  -4.304
  212   HG22  THR  27          1HG2      THR  27  14.282   8.141  -5.241
  213   HG23  THR  27          2HG2      THR  27  14.963   8.385  -3.631
  214    H    TRP  28           H        TRP  28  10.651   5.891  -5.150
  215    HA   TRP  28           HA       TRP  28  11.896   5.884  -7.812
  216    HB2  TRP  28           2HB      TRP  28  11.397   3.496  -6.046
  217    HB3  TRP  28           1HB      TRP  28  11.904   3.397  -7.724
  218    HD1  TRP  28           HD       TRP  28  13.292   4.058  -4.248
  219    HE1  TRP  28           1HE      TRP  28  15.797   4.374  -4.375
  220    HE3  TRP  28           3HE      TRP  28  13.785   4.320  -9.337
  221    HZ2  TRP  28           2HZ      TRP  28  17.786   4.704  -6.389
  222    HZ3  TRP  28           3HZ      TRP  28  16.034   4.642 -10.278
  223    HH2  TRP  28           HH       TRP  28  17.992   4.830  -8.834
  224    H    SER  29           H        SER  29  10.749   5.434  -9.583
  225    HA   SER  29           HA       SER  29   7.914   5.551  -9.380
  226    HB2  SER  29           2HB      SER  29   8.194   5.461 -11.940
  227    HB3  SER  29           1HB      SER  29   8.842   6.864 -11.086
  228    HG   SER  29           HG       SER  29  10.549   6.347 -12.135
  229    HN1  NH2  30           HT1      SER  29   9.596   3.457 -11.620
  230    HN2  NH2  30           HT2      SER  29   8.735   2.006 -11.213
  231    HA   PCA   1           HA       PCA   1 -13.877   5.136  -5.664
  232    HB2  PCA   1           2HB      PCA   1 -12.316   5.195  -3.284
  233    HB3  PCA   1           1HB      PCA   1 -13.363   6.503  -3.905
  234    HG2  PCA   1           2HG      PCA   1 -13.794   4.776  -1.618
  235    HG3  PCA   1           1HG      PCA   1 -14.846   6.103  -2.220
  236    H    LEU   2           H        LEU   2 -11.698   4.713  -6.261
  237    HA   LEU   2           HA       LEU   2 -11.140   1.903  -6.112
  238    HB2  LEU   2           2HB      LEU   2  -9.607   4.073  -7.550
  239    HB3  LEU   2           1HB      LEU   2  -9.253   2.362  -7.666
  240    HG   LEU   2           HG       LEU   2 -11.780   3.710  -8.622
  241   HD11  LEU   2          1HD1      LEU   2  -9.879   4.232 -10.019
  242   HD12  LEU   2          2HD1      LEU   2 -10.975   3.131 -10.853
  243   HD13  LEU   2          3HD1      LEU   2  -9.479   2.519 -10.149
  244   HD21  LEU   2          3HD2      LEU   2 -12.263   1.449  -7.864
  245   HD22  LEU   2          1HD2      LEU   2 -10.912   0.822  -8.812
  246   HD23  LEU   2          2HD2      LEU   2 -12.310   1.521  -9.623
  247    H    TYR   3           H        TYR   3 -10.064   4.673  -4.574
  248    HA   TYR   3           HA       TYR   3  -7.769   3.715  -3.355
  249    HB2  TYR   3           2HB      TYR   3  -8.042   5.920  -2.798
  250    HB3  TYR   3           1HB      TYR   3  -9.786   5.816  -2.910
  251    HD1  TYR   3           2HD      TYR   3 -11.115   5.302  -1.023
  252    HD2  TYR   3           1HD      TYR   3  -6.901   5.590  -0.666
  253    HE1  TYR   3           2HE      TYR   3 -11.374   5.417   1.333
  254    HE2  TYR   3           1HE      TYR   3  -7.116   5.720   1.774
  255    HH   TYR   3           HH       TYR   3  -9.971   4.905   3.363
  256    H    SER   4           H        SER   4 -11.176   3.119  -2.655
  257    HA   SER   4           HA       SER   4 -10.613   1.539  -0.315
  258    HB2  SER   4           2HB      SER   4 -12.692   2.892  -0.499
  259    HB3  SER   4           1HB      SER   4 -13.207   1.890  -1.850
  260    HG   SER   4           HG       SER   4 -12.550   0.710   0.621
  261    H    ALA   5           H        ALA   5 -11.103   1.058  -3.729
  262    HA   ALA   5           HA       ALA   5 -11.590  -1.707  -3.750
  263    HB1  ALA   5           1HB      ALA   5 -11.867  -0.320  -5.760
  264    HB2  ALA   5           2HB      ALA   5 -10.734  -1.639  -6.073
  265    HB3  ALA   5           3HB      ALA   5 -10.132  -0.011  -5.786
  266    H    LEU   6           H        LEU   6  -8.614   0.190  -3.882
  267    HA   LEU   6           HA       LEU   6  -6.684  -1.805  -3.907
  268    HB2  LEU   6           2HB      LEU   6  -6.110   0.544  -4.085
  269    HB3  LEU   6           1HB      LEU   6  -6.708   0.850  -2.468
  270    HG   LEU   6           HG       LEU   6  -4.903  -0.715  -1.639
  271   HD11  LEU   6          1HD1      LEU   6  -2.950  -1.023  -3.059
  272   HD12  LEU   6          2HD1      LEU   6  -3.843  -0.342  -4.420
  273   HD13  LEU   6          3HD1      LEU   6  -4.378  -1.852  -3.679
  274   HD21  LEU   6          3HD2      LEU   6  -4.790   1.712  -1.416
  275   HD22  LEU   6          1HD2      LEU   6  -4.018   1.822  -2.998
  276   HD23  LEU   6          2HD2      LEU   6  -3.203   0.994  -1.657
  277    H    ALA   7           H        ALA   7  -8.336  -0.344  -1.137
  278    HA   ALA   7           HA       ALA   7  -7.052  -1.716   0.917
  279    HB1  ALA   7           1HB      ALA   7  -8.525   0.202   1.282
  280    HB2  ALA   7           2HB      ALA   7  -8.986  -1.167   2.296
  281    HB3  ALA   7           3HB      ALA   7  -9.922  -0.784   0.848
  282    H    ASN   8           H        ASN   8 -10.039  -2.505  -0.752
  283    HA   ASN   8           HA       ASN   8 -10.527  -4.948   0.549
  284    HB2  ASN   8           2HB      ASN   8 -11.382  -3.990  -2.188
  285    HB3  ASN   8           1HB      ASN   8 -11.956  -5.482  -1.455
  286   HD21  ASN   8          1HD2      ASN   8 -13.384  -3.062  -2.256
  287   HD22  ASN   8          2HD2      ASN   8 -14.207  -2.509  -0.841
  288    H    LYS   9           H        LYS   9  -8.947  -4.269  -2.524
  289    HA   LYS   9           HA       LYS   9  -8.348  -6.913  -3.241
  290    HB2  LYS   9           2HB      LYS   9  -6.950  -4.334  -3.894
  291    HB3  LYS   9           1HB      LYS   9  -6.512  -5.854  -4.635
  292    HG2  LYS   9           2HG      LYS   9  -8.727  -6.006  -5.647
  293    HG3  LYS   9           1HG      LYS   9  -9.214  -4.522  -4.823
  294    HD2  LYS   9           2HD      LYS   9  -8.627  -4.016  -7.121
  295    HD3  LYS   9           1HD      LYS   9  -7.434  -3.302  -6.038
  296    HE2  LYS   9           2HE      LYS   9  -5.948  -5.246  -6.470
  297    HE3  LYS   9           1HE      LYS   9  -7.135  -5.857  -7.614
  298    HZ1  LYS   9           3HZ      LYS   9  -6.834  -3.837  -8.922
  299    HZ2  LYS   9           1HZ      LYS   9  -5.396  -4.684  -8.750
  300    HZ3  LYS   9           2HZ      LYS   9  -5.655  -3.287  -7.854
  301    H    CYS  10           H        CYS  10  -6.468  -4.621  -1.353
  302    HA   CYS  10           HA       CYS  10  -4.242  -6.404  -1.139
  303    HB2  CYS  10           2HB      CYS  10  -4.224  -3.844  -0.965
  304    HB3  CYS  10           1HB      CYS  10  -4.848  -4.073   0.658
  305    H    CYS  11           H        CYS  11  -7.149  -5.827   0.665
  306    HA   CYS  11           HA       CYS  11  -6.299  -7.182   3.019
  307    HB2  CYS  11           2HB      CYS  11  -8.170  -5.395   2.716
  308    HB3  CYS  11           1HB      CYS  11  -9.160  -6.743   2.188
  309    H    HIS  12           H        HIS  12  -7.691  -8.066  -0.031
  310    HA   HIS  12           HA       HIS  12  -8.290 -10.751   0.907
  311    HB2  HIS  12           2HB      HIS  12  -8.839  -9.337  -1.682
  312    HB3  HIS  12           1HB      HIS  12  -9.003 -11.078  -1.525
  313    HD1  HIS  12           1HD      HIS  12 -11.283 -11.855  -0.796
  314    HD2  HIS  12           2HD      HIS  12 -10.541  -7.903   0.200
  315    HE1  HIS  12           1HE      HIS  12 -13.441 -10.963   0.100
  316    H    VAL  13           H        VAL  13  -6.627  -9.484  -1.954
  317    HA   VAL  13           HA       VAL  13  -5.043 -11.908  -1.918
  318    HB   VAL  13           HB       VAL  13  -4.334 -11.267  -4.208
  319   HG11  VAL  13          1HG1      VAL  13  -7.308 -11.586  -3.710
  320   HG12  VAL  13          2HG1      VAL  13  -6.136 -12.899  -3.839
  321   HG13  VAL  13          3HG1      VAL  13  -6.529 -11.920  -5.256
  322   HG21  VAL  13          3HG2      VAL  13  -6.521  -9.190  -3.989
  323   HG22  VAL  13          1HG2      VAL  13  -5.708  -9.650  -5.485
  324   HG23  VAL  13          2HG2      VAL  13  -4.796  -8.879  -4.188
  325    H    GLY  14           H        GLY  14  -4.611  -8.486  -2.253
  326    HA2  GLY  14           2HA      GLY  14  -2.850  -7.747  -0.548
  327    HA3  GLY  14           1HA      GLY  14  -1.776  -8.770  -1.451
  328    H    CYS  15           H        CYS  15  -0.941  -6.349  -1.365
  329    HA   CYS  15           HA       CYS  15  -1.600  -5.225  -3.971
  330    HB2  CYS  15           2HB      CYS  15  -1.541  -2.974  -2.978
  331    HB3  CYS  15           1HB      CYS  15  -2.929  -3.934  -2.516
  332    H    THR  16           H        THR  16   0.025  -3.929  -4.848
  333    HA   THR  16           HA       THR  16   2.612  -4.593  -3.784
  334    HB   THR  16           HB       THR  16   3.543  -3.592  -5.877
  335    HG1  THR  16           1HG      THR  16   0.905  -3.556  -6.886
  336   HG21  THR  16          3HG2      THR  16   3.130  -5.986  -5.769
  337   HG22  THR  16          1HG2      THR  16   2.800  -5.381  -7.392
  338   HG23  THR  16          2HG2      THR  16   1.466  -5.740  -6.296
  339    H    LYS  17           H        LYS  17   4.072  -3.141  -3.343
  340    HA   LYS  17           HA       LYS  17   3.305  -0.967  -1.684
  341    HB2  LYS  17           2HB      LYS  17   5.476  -2.437  -2.169
  342    HB3  LYS  17           1HB      LYS  17   6.136  -0.970  -2.776
  343    HG2  LYS  17           2HG      LYS  17   6.752  -1.048  -0.533
  344    HG3  LYS  17           1HG      LYS  17   5.320  -0.011  -0.479
  345    HD2  LYS  17           2HD      LYS  17   3.942  -1.975   0.094
  346    HD3  LYS  17           1HD      LYS  17   5.385  -2.983   0.056
  347    HE2  LYS  17           2HE      LYS  17   4.815  -0.713   1.958
  348    HE3  LYS  17           1HE      LYS  17   4.834  -2.433   2.336
  349    HZ1  LYS  17           3HZ      LYS  17   7.262  -2.351   1.598
  350    HZ2  LYS  17           1HZ      LYS  17   6.868  -1.559   3.047
  351    HZ3  LYS  17           2HZ      LYS  17   7.081  -0.661   1.685
  352    H    ARG  18           H        ARG  18   4.497  -0.670  -5.036
  353    HA   ARG  18           HA       ARG  18   4.025   2.112  -4.881
  354    HB2  ARG  18           2HB      ARG  18   4.620   0.342  -7.199
  355    HB3  ARG  18           1HB      ARG  18   4.118   2.007  -7.476
  356    HG2  ARG  18           2HG      ARG  18   6.446   1.188  -5.768
  357    HG3  ARG  18           1HG      ARG  18   6.578   1.713  -7.448
  358    HD2  ARG  18           2HD      ARG  18   5.274   3.472  -5.351
  359    HD3  ARG  18           1HD      ARG  18   7.010   3.449  -5.582
  360    HE   ARG  18           HE       ARG  18   6.790   4.432  -7.608
  361   HH11  ARG  18          1HH1      ARG  18   3.415   3.801  -6.522
  362   HH12  ARG  18          2HH1      ARG  18   2.807   5.159  -7.328
  363   HH21  ARG  18          1HH2      ARG  18   5.786   6.337  -8.695
  364   HH22  ARG  18          2HH2      ARG  18   4.112   6.577  -8.542
  365    H    SER  19           H        SER  19   1.951  -0.433  -5.355
  366    HA   SER  19           HA       SER  19  -0.071   0.983  -6.776
  367    HB2  SER  19           2HB      SER  19   0.042  -1.521  -6.713
  368    HB3  SER  19           1HB      SER  19  -0.370  -1.467  -5.008
  369    HG   SER  19           HG       SER  19  -1.950  -0.345  -7.050
  370    H    LEU  20           H        LEU  20   0.609   0.283  -3.337
  371    HA   LEU  20           HA       LEU  20  -1.612   1.873  -2.432
  372    HB2  LEU  20           2HB      LEU  20   0.903   1.634  -0.723
  373    HB3  LEU  20           1HB      LEU  20  -0.714   1.986  -0.294
  374    HG   LEU  20           HG       LEU  20  -1.311  -0.416  -0.932
  375   HD11  LEU  20          1HD1      LEU  20   0.491  -1.995  -0.654
  376   HD12  LEU  20          2HD1      LEU  20   1.641  -0.670  -0.501
  377   HD13  LEU  20          3HD1      LEU  20   0.805  -0.941  -2.034
  378   HD21  LEU  20          3HD2      LEU  20   0.425   0.157   1.441
  379   HD22  LEU  20          1HD2      LEU  20  -0.737  -1.159   1.294
  380   HD23  LEU  20          2HD2      LEU  20  -1.307   0.515   1.337
  381    H    ALA  21           H        ALA  21   1.618   2.454  -3.199
  382    HA   ALA  21           HA       ALA  21   1.823   5.119  -2.346
  383    HB1  ALA  21           1HB      ALA  21   3.736   3.729  -3.076
  384    HB2  ALA  21           2HB      ALA  21   3.742   5.371  -3.718
  385    HB3  ALA  21           3HB      ALA  21   3.242   4.027  -4.743
  386    H    ARG  22           H        ARG  22   0.218   3.920  -5.229
  387    HA   ARG  22           HA       ARG  22   0.144   6.600  -6.321
  388    HB2  ARG  22           2HB      ARG  22  -1.193   5.727  -8.170
  389    HB3  ARG  22           1HB      ARG  22   0.245   4.752  -7.933
  390    HG2  ARG  22           2HG      ARG  22  -1.045   3.015  -6.914
  391    HG3  ARG  22           1HG      ARG  22  -2.490   4.024  -6.935
  392    HD2  ARG  22           2HD      ARG  22  -2.525   2.402  -8.756
  393    HD3  ARG  22           1HD      ARG  22  -2.455   4.050  -9.364
  394    HE   ARG  22           HE       ARG  22   0.153   3.056  -9.157
  395   HH11  ARG  22          1HH1      ARG  22  -2.757   2.520 -11.109
  396   HH12  ARG  22          2HH1      ARG  22  -1.890   2.045 -12.493
  397   HH21  ARG  22          1HH2      ARG  22   1.319   2.410 -11.060
  398   HH22  ARG  22          2HH2      ARG  22   0.474   2.003 -12.470
  399    H    PHE  23           H        PHE  23  -1.535   5.000  -3.987
  400    HA   PHE  23           HA       PHE  23  -3.838   6.771  -4.371
  401    HB2  PHE  23           2HB      PHE  23  -3.726   4.125  -2.912
  402    HB3  PHE  23           1HB      PHE  23  -5.087   5.229  -2.823
  403    HD1  PHE  23           2HD      PHE  23  -6.464   5.636  -4.835
  404    HD2  PHE  23           1HD      PHE  23  -3.396   2.699  -4.788
  405    HE1  PHE  23           2HE      PHE  23  -7.446   4.578  -6.821
  406    HE2  PHE  23           1HE      PHE  23  -4.371   1.637  -6.772
  407    HZ   PHE  23           HZ       PHE  23  -6.403   2.576  -7.795
  408    H    CYS  24           H        CYS  24  -2.659   5.101  -1.589
  409    HA   CYS  24           HA       CYS  24  -2.485   5.695   0.577
  410    HB2  CYS  24           2HB      CYS  24  -1.146   8.101  -0.679
  411    HB3  CYS  24           1HB      CYS  24  -1.117   7.778   1.054
  412    HN1  NH2  25           HT1      CYS  24  -4.562   5.762   1.164
  413    HN2  NH2  25           HT2      CYS  24  -5.467   7.217   1.363
  Start of MODEL    3
    1    H1   ASP   1           1HT      ASP   1  12.108  -4.492   0.032
    2    H2   ASP   1           2HT      ASP   1  10.574  -3.948   0.503
    3    H3   ASP   1           3HT      ASP   1  11.723  -4.367   1.663
    4    HA   ASP   1           HA       ASP   1  11.493  -1.974   1.466
    5    HB2  ASP   1           2HB      ASP   1  14.156  -3.127   0.598
    6    HB3  ASP   1           1HB      ASP   1  13.918  -1.468   1.118
    7    H    SER   2           H        SER   2  11.668  -3.638  -1.502
    8    HA   SER   2           HA       SER   2  12.343  -1.349  -3.052
    9    HB2  SER   2           2HB      SER   2  11.226  -4.012  -3.879
   10    HB3  SER   2           1HB      SER   2  12.073  -2.862  -4.898
   11    HG   SER   2           HG       SER   2  13.922  -3.143  -3.638
   12    H    TRP   3           H        TRP   3  10.939  -0.339  -4.421
   13    HA   TRP   3           HA       TRP   3   8.198  -0.265  -3.464
   14    HB2  TRP   3           2HB      TRP   3   9.605   1.567  -5.423
   15    HB3  TRP   3           1HB      TRP   3   8.000   1.825  -4.741
   16    HD1  TRP   3           HD       TRP   3  11.264   3.181  -4.312
   17    HE1  TRP   3           1HE      TRP   3  11.692   4.025  -1.926
   18    HE3  TRP   3           3HE      TRP   3   7.439   0.814  -1.917
   19    HZ2  TRP   3           2HZ      TRP   3  10.561   3.715   0.649
   20    HZ3  TRP   3           3HZ      TRP   3   7.177   1.094   0.457
   21    HH2  TRP   3           HH       TRP   3   8.705   2.528   1.758
   22    H    MET   4           H        MET   4  10.055  -0.844  -6.355
   23    HA   MET   4           HA       MET   4   7.851  -1.255  -8.100
   24    HB2  MET   4           2HB      MET   4  10.666  -2.341  -8.282
   25    HB3  MET   4           1HB      MET   4   9.487  -2.352  -9.578
   26    HG2  MET   4           2HG      MET   4  10.707   0.085  -8.304
   27    HG3  MET   4           1HG      MET   4  11.129  -0.606  -9.870
   28    HE1  MET   4           3HE      MET   4   7.901   0.060 -11.969
   29    HE2  MET   4           1HE      MET   4   8.236  -1.400 -11.034
   30    HE3  MET   4           2HE      MET   4   9.527  -0.620 -11.941
   31    H    GLU   5           H        GLU   5   9.915  -3.318  -6.192
   32    HA   GLU   5           HA       GLU   5   8.209  -5.598  -6.838
   33    HB2  GLU   5           2HB      GLU   5  11.129  -5.568  -6.091
   34    HB3  GLU   5           1HB      GLU   5  10.174  -7.002  -6.419
   35    HG2  GLU   5           2HG      GLU   5  10.770  -4.807  -8.394
   36    HG3  GLU   5           1HG      GLU   5  11.587  -6.366  -8.320
   37    H    GLU   6           H        GLU   6   6.811  -5.052  -5.071
   38    HA   GLU   6           HA       GLU   6   7.476  -6.639  -2.856
   39    HB2  GLU   6           2HB      GLU   6   8.279  -4.089  -2.212
   40    HB3  GLU   6           1HB      GLU   6   6.545  -3.963  -2.056
   41    HG2  GLU   6           2HG      GLU   6   6.354  -5.569  -0.371
   42    HG3  GLU   6           1HG      GLU   6   8.030  -6.056  -0.545
   43    H    VAL   7           H        VAL   7   5.665  -7.180  -1.796
   44    HA   VAL   7           HA       VAL   7   3.105  -6.101  -2.493
   45    HB   VAL   7           HB       VAL   7   3.347  -7.675  -4.358
   46   HG11  VAL   7          1HG1      VAL   7   3.654 -10.075  -4.036
   47   HG12  VAL   7          2HG1      VAL   7   3.867  -9.813  -2.305
   48   HG13  VAL   7          3HG1      VAL   7   5.037  -9.151  -3.447
   49   HG21  VAL   7          3HG2      VAL   7   1.455  -8.775  -2.258
   50   HG22  VAL   7          1HG2      VAL   7   1.381  -9.136  -3.981
   51   HG23  VAL   7          2HG2      VAL   7   1.098  -7.496  -3.400
   52    H    ILE   8           H        ILE   8   1.892  -6.084  -0.814
   53    HA   ILE   8           HA       ILE   8   2.557  -7.912   1.362
   54    HB   ILE   8           HB       ILE   8   2.103  -6.120   2.979
   55   HG12  ILE   8          2HG1      ILE   8   1.898  -4.402   0.510
   56   HG13  ILE   8          1HG1      ILE   8   0.628  -4.721   1.667
   57   HG21  ILE   8          1HG2      ILE   8   4.403  -6.565   2.371
   58   HG22  ILE   8          2HG2      ILE   8   4.169  -4.835   2.645
   59   HG23  ILE   8          3HG2      ILE   8   4.278  -5.460   1.000
   60   HD11  ILE   8          3HD1      ILE   8   1.527  -2.477   1.979
   61   HD12  ILE   8          1HD1      ILE   8   3.136  -3.148   2.228
   62   HD13  ILE   8          2HD1      ILE   8   1.858  -3.477   3.393
   63    H    LYS   9           H        LYS   9   0.815  -7.873   2.979
   64    HA   LYS   9           HA       LYS   9  -1.807  -7.556   1.736
   65    HB2  LYS   9           2HB      LYS   9  -0.937  -9.882   3.456
   66    HB3  LYS   9           1HB      LYS   9  -2.599  -9.547   3.001
   67    HG2  LYS   9           2HG      LYS   9  -1.980  -9.842   0.640
   68    HG3  LYS   9           1HG      LYS   9  -0.336 -10.230   1.147
   69    HD2  LYS   9           2HD      LYS   9  -1.577 -12.290   0.724
   70    HD3  LYS   9           1HD      LYS   9  -1.237 -12.150   2.450
   71    HE2  LYS   9           2HE      LYS   9  -3.519 -11.294   2.820
   72    HE3  LYS   9           1HE      LYS   9  -3.850 -11.448   1.096
   73    HZ1  LYS   9           3HZ      LYS   9  -3.460 -13.855   1.343
   74    HZ2  LYS   9           1HZ      LYS   9  -4.746 -13.300   2.275
   75    HZ3  LYS   9           2HZ      LYS   9  -3.268 -13.653   2.998
   76    H    LEU  10           H        LEU  10  -2.032  -5.665   2.776
   77    HA   LEU  10           HA       LEU  10  -2.414  -5.869   5.675
   78    HB2  LEU  10           2HB      LEU  10  -1.254  -3.607   4.099
   79    HB3  LEU  10           1HB      LEU  10  -2.148  -3.283   5.545
   80    HG   LEU  10           HG       LEU  10  -0.633  -4.515   6.899
   81   HD11  LEU  10          1HD1      LEU  10   0.130  -6.254   5.359
   82   HD12  LEU  10          2HD1      LEU  10   1.528  -5.388   6.002
   83   HD13  LEU  10          3HD1      LEU  10   0.946  -5.047   4.372
   84   HD21  LEU  10          3HD2      LEU  10   0.792  -2.588   5.095
   85   HD22  LEU  10          1HD2      LEU  10   1.358  -3.092   6.684
   86   HD23  LEU  10          2HD2      LEU  10  -0.152  -2.195   6.527
   87    H    CYS  11           H        CYS  11  -3.857  -4.069   6.408
   88    HA   CYS  11           HA       CYS  11  -6.002  -3.440   4.600
   89    HB2  CYS  11           2HB      CYS  11  -6.400  -5.734   4.883
   90    HB3  CYS  11           1HB      CYS  11  -6.372  -5.639   6.652
   91    H    GLY  12           H        GLY  12  -7.692  -2.459   5.745
   92    HA2  GLY  12           2HA      GLY  12  -8.483  -0.780   7.181
   93    HA3  GLY  12           1HA      GLY  12  -7.769  -1.767   8.433
   94    H    ARG  13           H        ARG  13  -6.766  -0.507   9.701
   95    HA   ARG  13           HA       ARG  13  -5.629   1.966   8.978
   96    HB2  ARG  13           2HB      ARG  13  -6.448   1.599  11.238
   97    HB3  ARG  13           1HB      ARG  13  -5.231   0.355  11.500
   98    HG2  ARG  13           2HG      ARG  13  -3.467   2.030  11.223
   99    HG3  ARG  13           1HG      ARG  13  -4.695   3.270  10.990
  100    HD2  ARG  13           2HD      ARG  13  -5.508   2.929  13.231
  101    HD3  ARG  13           1HD      ARG  13  -4.391   1.579  13.457
  102    HE   ARG  13           HE       ARG  13  -3.100   4.032  12.750
  103   HH11  ARG  13          1HH1      ARG  13  -4.413   2.199  15.487
  104   HH12  ARG  13          2HH1      ARG  13  -3.367   2.894  16.633
  105   HH21  ARG  13          1HH2      ARG  13  -1.681   4.986  14.301
  106   HH22  ARG  13          2HH2      ARG  13  -1.784   4.526  15.950
  107    H    GLU  14           H        GLU  14  -4.200  -1.306   9.249
  108    HA   GLU  14           HA       GLU  14  -1.504  -0.393   9.375
  109    HB2  GLU  14           2HB      GLU  14  -2.689  -2.986   8.402
  110    HB3  GLU  14           1HB      GLU  14  -0.968  -2.689   8.514
  111    HG2  GLU  14           2HG      GLU  14  -1.206  -2.385  10.941
  112    HG3  GLU  14           1HG      GLU  14  -2.928  -2.760  10.797
  113    H    LEU  15           H        LEU  15  -3.751  -1.070   6.859
  114    HA   LEU  15           HA       LEU  15  -1.968  -1.067   4.676
  115    HB2  LEU  15           2HB      LEU  15  -4.310  -1.910   4.713
  116    HB3  LEU  15           1HB      LEU  15  -4.866  -0.254   4.767
  117    HG   LEU  15           HG       LEU  15  -3.882   0.126   2.533
  118   HD11  LEU  15          1HD1      LEU  15  -3.140  -1.805   1.240
  119   HD12  LEU  15          2HD1      LEU  15  -3.327  -2.829   2.663
  120   HD13  LEU  15          3HD1      LEU  15  -2.109  -1.552   2.648
  121   HD21  LEU  15          3HD2      LEU  15  -5.480  -1.255   1.316
  122   HD22  LEU  15          1HD2      LEU  15  -6.211  -0.507   2.743
  123   HD23  LEU  15          2HD2      LEU  15  -5.755  -2.209   2.780
  124    H    VAL  16           H        VAL  16  -3.909   1.432   6.244
  125    HA   VAL  16           HA       VAL  16  -3.094   3.601   4.563
  126    HB   VAL  16           HB       VAL  16  -4.168   3.646   7.410
  127   HG11  VAL  16          1HG1      VAL  16  -3.125   5.764   6.840
  128   HG12  VAL  16          2HG1      VAL  16  -4.879   5.938   6.924
  129   HG13  VAL  16          3HG1      VAL  16  -4.075   5.852   5.355
  130   HG21  VAL  16          3HG2      VAL  16  -5.703   2.520   5.929
  131   HG22  VAL  16          1HG2      VAL  16  -5.606   3.849   4.774
  132   HG23  VAL  16          2HG2      VAL  16  -6.342   4.110   6.351
  133    H    ARG  17           H        ARG  17  -1.907   2.280   7.572
  134    HA   ARG  17           HA       ARG  17   0.029   4.222   8.134
  135    HB2  ARG  17           2HB      ARG  17  -0.116   1.311   8.839
  136    HB3  ARG  17           1HB      ARG  17   1.163   2.329   9.453
  137    HG2  ARG  17           2HG      ARG  17  -0.539   3.782  10.481
  138    HG3  ARG  17           1HG      ARG  17  -1.788   2.682   9.901
  139    HD2  ARG  17           2HD      ARG  17  -1.303   2.196  12.214
  140    HD3  ARG  17           1HD      ARG  17  -0.747   0.867  11.200
  141    HE   ARG  17           HE       ARG  17   1.364   2.662  11.608
  142   HH11  ARG  17          1HH1      ARG  17  -0.554   0.307  13.427
  143   HH12  ARG  17          2HH1      ARG  17   0.703  -0.080  14.518
  144   HH21  ARG  17          1HH2      ARG  17   3.089   2.122  13.155
  145   HH22  ARG  17          2HH2      ARG  17   2.775   0.969  14.362
  146    H    ALA  18           H        ALA  18   0.215   1.335   6.219
  147    HA   ALA  18           HA       ALA  18   2.958   1.580   5.540
  148    HB1  ALA  18           1HB      ALA  18   2.479  -0.019   3.747
  149    HB2  ALA  18           2HB      ALA  18   0.748   0.210   4.003
  150    HB3  ALA  18           3HB      ALA  18   1.737  -0.527   5.264
  151    H    GLN  19           H        GLN  19  -0.010   2.543   3.907
  152    HA   GLN  19           HA       GLN  19   0.902   3.672   1.575
  153    HB2  GLN  19           2HB      GLN  19  -1.335   4.319   3.428
  154    HB3  GLN  19           1HB      GLN  19  -1.183   5.257   1.970
  155    HG2  GLN  19           2HG      GLN  19  -1.352   3.287   0.659
  156    HG3  GLN  19           1HG      GLN  19  -1.359   2.247   2.098
  157   HE21  GLN  19          1HE2      GLN  19  -3.143   2.199   0.026
  158   HE22  GLN  19          2HE2      GLN  19  -4.703   2.650   0.609
  159    H    ILE  20           H        ILE  20   0.250   5.398   4.560
  160    HA   ILE  20           HA       ILE  20   1.396   7.834   3.822
  161    HB   ILE  20           HB       ILE  20   0.575   6.654   6.441
  162   HG12  ILE  20          2HG1      ILE  20  -0.863   8.650   6.554
  163   HG13  ILE  20          1HG1      ILE  20  -0.136   9.262   5.081
  164   HG21  ILE  20          1HG2      ILE  20   2.647   7.730   7.086
  165   HG22  ILE  20          2HG2      ILE  20   1.270   8.633   7.715
  166   HG23  ILE  20          3HG2      ILE  20   2.140   9.225   6.299
  167   HD11  ILE  20          3HD1      ILE  20  -1.817   6.779   5.348
  168   HD12  ILE  20          1HD1      ILE  20  -1.079   7.361   3.856
  169   HD13  ILE  20          2HD1      ILE  20  -2.318   8.324   4.656
  170    H    ALA  21           H        ALA  21   2.913   5.031   5.295
  171    HA   ALA  21           HA       ALA  21   5.380   6.268   5.913
  172    HB1  ALA  21           1HB      ALA  21   4.859   3.368   5.236
  173    HB2  ALA  21           2HB      ALA  21   4.741   4.078   6.845
  174    HB3  ALA  21           3HB      ALA  21   6.302   4.000   6.028
  175    H    ILE  22           H        ILE  22   4.235   4.531   3.066
  176    HA   ILE  22           HA       ILE  22   6.603   4.628   1.532
  177    HB   ILE  22           HB       ILE  22   3.778   4.762   0.442
  178   HG12  ILE  22          2HG1      ILE  22   5.451   2.298   0.921
  179   HG13  ILE  22          1HG1      ILE  22   4.166   2.833   2.001
  180   HG21  ILE  22          1HG2      ILE  22   6.374   3.829  -0.788
  181   HG22  ILE  22          2HG2      ILE  22   5.463   5.276  -1.230
  182   HG23  ILE  22          3HG2      ILE  22   4.785   3.673  -1.531
  183   HD11  ILE  22          3HD1      ILE  22   3.348   1.095   0.533
  184   HD12  ILE  22          1HD1      ILE  22   3.849   2.030  -0.882
  185   HD13  ILE  22          2HD1      ILE  22   2.570   2.634   0.167
  186    H    CYS  23           H        CYS  23   3.942   6.870   1.915
  187    HA   CYS  23           HA       CYS  23   4.817   8.637  -0.133
  188    HB2  CYS  23           2HB      CYS  23   2.838   8.840   2.079
  189    HB3  CYS  23           1HB      CYS  23   3.161  10.172   0.975
  190    H    GLY  24           H        GLY  24   5.419   8.351   3.174
  191    HA2  GLY  24           2HA      GLY  24   6.730  10.879   3.517
  192    HA3  GLY  24           1HA      GLY  24   6.883   9.502   4.607
  193    H    MET  25           H        MET  25   7.638   7.904   2.121
  194    HA   MET  25           HA       MET  25  10.467   8.743   1.923
  195    HB2  MET  25           2HB      MET  25   9.315   5.946   2.116
  196    HB3  MET  25           1HB      MET  25  11.003   6.300   1.803
  197    HG2  MET  25           2HG      MET  25  11.224   7.307   4.005
  198    HG3  MET  25           1HG      MET  25   9.510   7.045   4.314
  199    HE1  MET  25           3HE      MET  25   9.293   3.132   4.526
  200    HE2  MET  25           1HE      MET  25   9.039   4.121   3.088
  201    HE3  MET  25           2HE      MET  25   8.411   4.653   4.645
  202    H    SER  26           H        SER  26   8.400   9.482   0.138
  203    HA   SER  26           HA       SER  26   8.422   7.571  -2.032
  204    HB2  SER  26           2HB      SER  26   6.292   8.679  -1.434
  205    HB3  SER  26           1HB      SER  26   6.978  10.238  -1.887
  206    HG   SER  26           HG       SER  26   7.246   9.341  -4.023
  207    H    THR  27           H        THR  27  10.750   7.934  -2.087
  208    HA   THR  27           HA       THR  27  11.670  10.226  -3.580
  209    HB   THR  27           HB       THR  27  13.145   7.648  -3.046
  210    HG1  THR  27           1HG      THR  27  12.493   9.834  -1.394
  211   HG21  THR  27          3HG2      THR  27  14.245   9.211  -4.609
  212   HG22  THR  27          1HG2      THR  27  15.144   9.101  -3.096
  213   HG23  THR  27          2HG2      THR  27  14.117  10.498  -3.410
  214    H    TRP  28           H        TRP  28  10.346   7.344  -4.133
  215    HA   TRP  28           HA       TRP  28  10.830   7.394  -7.040
  216    HB2  TRP  28           2HB      TRP  28  10.597   4.874  -5.364
  217    HB3  TRP  28           1HB      TRP  28  10.870   4.951  -7.098
  218    HD1  TRP  28           HD       TRP  28  12.668   5.069  -3.782
  219    HE1  TRP  28           1HE      TRP  28  15.205   5.146  -4.167
  220    HE3  TRP  28           3HE      TRP  28  12.688   5.863  -8.832
  221    HZ2  TRP  28           2HZ      TRP  28  16.986   5.487  -6.332
  222    HZ3  TRP  28           3HZ      TRP  28  14.853   6.047  -9.984
  223    HH2  TRP  28           HH       TRP  28  16.956   5.864  -8.760
  224    H    SER  29           H        SER  29   8.998   6.183  -8.162
  225    HA   SER  29           HA       SER  29   6.534   6.881  -6.831
  226    HB2  SER  29           2HB      SER  29   6.940   7.622  -9.181
  227    HB3  SER  29           1HB      SER  29   7.063   5.939  -9.672
  228    HG   SER  29           HG       SER  29   4.764   7.090  -8.462
  229    HN1  NH2  30           HT1      SER  29   6.106   5.330  -5.401
  230    HN2  NH2  30           HT2      SER  29   6.019   3.631  -5.722
  231    HA   PCA   1           HA       PCA   1 -13.951   5.183  -6.019
  232    HB2  PCA   1           2HB      PCA   1 -13.292   4.565  -3.288
  233    HB3  PCA   1           1HB      PCA   1 -14.101   6.034  -3.902
  234    HG2  PCA   1           2HG      PCA   1 -15.269   3.936  -2.358
  235    HG3  PCA   1           1HG      PCA   1 -16.141   5.283  -3.170
  236    H    LEU   2           H        LEU   2 -11.838   4.839  -6.444
  237    HA   LEU   2           HA       LEU   2 -10.935   2.067  -6.415
  238    HB2  LEU   2           2HB      LEU   2  -9.625   4.530  -7.573
  239    HB3  LEU   2           1HB      LEU   2  -8.904   2.938  -7.584
  240    HG   LEU   2           HG       LEU   2 -10.823   2.156  -9.003
  241   HD11  LEU   2          1HD1      LEU   2 -12.456   3.870  -8.459
  242   HD12  LEU   2          2HD1      LEU   2 -12.163   3.793 -10.195
  243   HD13  LEU   2          3HD1      LEU   2 -11.449   5.091  -9.239
  244   HD21  LEU   2          3HD2      LEU   2  -9.125   4.383 -10.109
  245   HD22  LEU   2          1HD2      LEU   2  -9.960   3.154 -11.059
  246   HD23  LEU   2          2HD2      LEU   2  -8.660   2.687  -9.964
  247    H    TYR   3           H        TYR   3 -10.498   4.669  -4.433
  248    HA   TYR   3           HA       TYR   3  -8.211   3.546  -3.290
  249    HB2  TYR   3           2HB      TYR   3  -8.795   5.848  -2.754
  250    HB3  TYR   3           1HB      TYR   3 -10.302   5.307  -1.989
  251    HD1  TYR   3           1HD      TYR   3  -6.703   4.567  -1.923
  252    HD2  TYR   3           2HD      TYR   3 -10.287   5.007   0.265
  253    HE1  TYR   3           1HE      TYR   3  -5.514   4.008   0.025
  254    HE2  TYR   3           2HE      TYR   3  -9.139   4.463   2.306
  255    HH   TYR   3           HH       TYR   3  -5.665   4.225   2.508
  256    H    SER   4           H        SER   4 -11.676   3.153  -2.599
  257    HA   SER   4           HA       SER   4 -11.378   1.317  -0.515
  258    HB2  SER   4           2HB      SER   4 -13.658   1.618  -2.477
  259    HB3  SER   4           1HB      SER   4 -13.748   0.889  -0.869
  260    HG   SER   4           HG       SER   4 -13.242   2.883   0.025
  261    H    ALA   5           H        ALA   5 -11.361   1.011  -3.998
  262    HA   ALA   5           HA       ALA   5 -11.600  -1.771  -4.219
  263    HB1  ALA   5           1HB      ALA   5 -10.017   0.102  -5.988
  264    HB2  ALA   5           2HB      ALA   5 -11.736  -0.249  -6.159
  265    HB3  ALA   5           3HB      ALA   5 -10.544  -1.524  -6.418
  266    H    LEU   6           H        LEU   6  -8.664   0.273  -4.070
  267    HA   LEU   6           HA       LEU   6  -6.794  -1.818  -3.890
  268    HB2  LEU   6           2HB      LEU   6  -6.009   0.448  -4.254
  269    HB3  LEU   6           1HB      LEU   6  -6.676   0.973  -2.720
  270    HG   LEU   6           HG       LEU   6  -5.070  -0.544  -1.559
  271   HD11  LEU   6          1HD1      LEU   6  -4.644  -2.117  -3.300
  272   HD12  LEU   6          2HD1      LEU   6  -3.137  -1.374  -2.767
  273   HD13  LEU   6          3HD1      LEU   6  -3.880  -0.871  -4.285
  274   HD21  LEU   6          3HD2      LEU   6  -4.565   1.838  -1.772
  275   HD22  LEU   6          1HD2      LEU   6  -3.778   1.537  -3.321
  276   HD23  LEU   6          2HD2      LEU   6  -3.101   0.863  -1.838
  277    H    ALA   7           H        ALA   7  -8.567  -0.112  -1.393
  278    HA   ALA   7           HA       ALA   7  -7.396  -1.212   0.861
  279    HB1  ALA   7           1HB      ALA   7  -9.425  -0.617   2.051
  280    HB2  ALA   7           2HB      ALA   7 -10.293  -0.460   0.525
  281    HB3  ALA   7           3HB      ALA   7  -8.987   0.660   0.914
  282    H    ASN   8           H        ASN   8 -10.280  -2.346  -0.839
  283    HA   ASN   8           HA       ASN   8 -10.603  -4.678   0.731
  284    HB2  ASN   8           2HB      ASN   8 -11.684  -3.963  -2.002
  285    HB3  ASN   8           1HB      ASN   8 -12.146  -5.409  -1.116
  286   HD21  ASN   8          1HD2      ASN   8 -14.303  -4.701  -1.102
  287   HD22  ASN   8          2HD2      ASN   8 -14.829  -3.412  -0.064
  288    H    LYS   9           H        LYS   9  -9.144  -4.140  -2.438
  289    HA   LYS   9           HA       LYS   9  -8.598  -6.832  -2.945
  290    HB2  LYS   9           2HB      LYS   9  -7.374  -4.317  -4.008
  291    HB3  LYS   9           1HB      LYS   9  -6.836  -5.884  -4.568
  292    HG2  LYS   9           2HG      LYS   9  -9.155  -6.371  -5.300
  293    HG3  LYS   9           1HG      LYS   9  -9.631  -4.765  -4.756
  294    HD2  LYS   9           2HD      LYS   9  -9.280  -4.780  -7.164
  295    HD3  LYS   9           1HD      LYS   9  -8.071  -3.768  -6.374
  296    HE2  LYS   9           2HE      LYS   9  -6.426  -5.513  -6.566
  297    HE3  LYS   9           1HE      LYS   9  -7.621  -6.631  -7.219
  298    HZ1  LYS   9           3HZ      LYS   9  -6.277  -5.701  -8.982
  299    HZ2  LYS   9           1HZ      LYS   9  -6.674  -4.125  -8.505
  300    HZ3  LYS   9           2HZ      LYS   9  -7.858  -5.124  -9.121
  301    H    CYS  10           H        CYS  10  -6.579  -4.427  -1.336
  302    HA   CYS  10           HA       CYS  10  -4.389  -6.314  -1.113
  303    HB2  CYS  10           2HB      CYS  10  -4.215  -3.751  -1.151
  304    HB3  CYS  10           1HB      CYS  10  -4.796  -3.806   0.504
  305    H    CYS  11           H        CYS  11  -7.210  -5.498   0.708
  306    HA   CYS  11           HA       CYS  11  -6.365  -6.631   3.143
  307    HB2  CYS  11           2HB      CYS  11  -8.220  -4.981   2.876
  308    HB3  CYS  11           1HB      CYS  11  -9.196  -6.236   2.120
  309    H    HIS  12           H        HIS  12  -7.961  -7.829   0.266
  310    HA   HIS  12           HA       HIS  12  -8.204 -10.464   1.455
  311    HB2  HIS  12           2HB      HIS  12  -9.188  -9.371  -1.170
  312    HB3  HIS  12           1HB      HIS  12  -9.331 -11.072  -0.741
  313    HD1  HIS  12           1HD      HIS  12 -11.372 -11.694   0.687
  314    HD2  HIS  12           2HD      HIS  12 -10.637  -7.610   0.540
  315    HE1  HIS  12           1HE      HIS  12 -13.315 -10.586   1.826
  316    H    VAL  13           H        VAL  13  -6.924  -9.344  -1.704
  317    HA   VAL  13           HA       VAL  13  -5.318 -11.757  -1.675
  318    HB   VAL  13           HB       VAL  13  -4.674 -11.176  -3.989
  319   HG11  VAL  13          1HG1      VAL  13  -6.489 -12.763  -3.555
  320   HG12  VAL  13          2HG1      VAL  13  -6.906 -11.796  -4.973
  321   HG13  VAL  13          3HG1      VAL  13  -7.638 -11.433  -3.410
  322   HG21  VAL  13          3HG2      VAL  13  -6.076  -9.561  -5.266
  323   HG22  VAL  13          1HG2      VAL  13  -5.062  -8.792  -4.043
  324   HG23  VAL  13          2HG2      VAL  13  -6.780  -9.026  -3.739
  325    H    GLY  14           H        GLY  14  -4.790  -8.358  -2.059
  326    HA2  GLY  14           2HA      GLY  14  -2.858  -7.658  -0.464
  327    HA3  GLY  14           1HA      GLY  14  -1.941  -8.775  -1.422
  328    H    CYS  15           H        CYS  15  -0.969  -6.387  -1.402
  329    HA   CYS  15           HA       CYS  15  -1.586  -5.384  -4.061
  330    HB2  CYS  15           2HB      CYS  15  -1.530  -3.087  -3.230
  331    HB3  CYS  15           1HB      CYS  15  -2.926  -4.001  -2.700
  332    H    THR  16           H        THR  16   0.076  -4.201  -4.971
  333    HA   THR  16           HA       THR  16   2.656  -4.863  -3.945
  334    HB   THR  16           HB       THR  16   3.427  -3.642  -6.034
  335    HG1  THR  16           1HG      THR  16   0.861  -3.929  -7.079
  336   HG21  THR  16          3HG2      THR  16   1.566  -5.995  -6.367
  337   HG22  THR  16          1HG2      THR  16   3.279  -6.072  -5.957
  338   HG23  THR  16          2HG2      THR  16   2.780  -5.479  -7.541
  339    H    LYS  17           H        LYS  17   4.173  -3.304  -3.603
  340    HA   LYS  17           HA       LYS  17   3.245  -1.206  -1.897
  341    HB2  LYS  17           2HB      LYS  17   5.442  -2.569  -2.032
  342    HB3  LYS  17           1HB      LYS  17   6.103  -1.219  -2.926
  343    HG2  LYS  17           2HG      LYS  17   6.669  -1.099  -0.674
  344    HG3  LYS  17           1HG      LYS  17   5.495   0.212  -0.969
  345    HD2  LYS  17           2HD      LYS  17   3.736  -1.215   0.016
  346    HD3  LYS  17           1HD      LYS  17   4.917  -2.502   0.246
  347    HE2  LYS  17           2HE      LYS  17   4.998   0.220   1.531
  348    HE3  LYS  17           1HE      LYS  17   4.458  -1.269   2.303
  349    HZ1  LYS  17           3HZ      LYS  17   6.685  -0.896   2.948
  350    HZ2  LYS  17           1HZ      LYS  17   7.202  -0.648   1.350
  351    HZ3  LYS  17           2HZ      LYS  17   6.698  -2.170   1.820
  352    H    ARG  18           H        ARG  18   4.276  -1.142  -5.237
  353    HA   ARG  18           HA       ARG  18   4.108   1.655  -5.623
  354    HB2  ARG  18           2HB      ARG  18   3.807  -0.691  -7.441
  355    HB3  ARG  18           1HB      ARG  18   3.435   0.920  -8.022
  356    HG2  ARG  18           2HG      ARG  18   5.696   1.633  -7.541
  357    HG3  ARG  18           1HG      ARG  18   6.066   0.038  -6.876
  358    HD2  ARG  18           2HD      ARG  18   5.109   0.502  -9.685
  359    HD3  ARG  18           1HD      ARG  18   6.811   0.387  -9.239
  360    HE   ARG  18           HE       ARG  18   5.941  -1.879  -8.243
  361   HH11  ARG  18          1HH1      ARG  18   5.064  -0.449 -11.363
  362   HH12  ARG  18          2HH1      ARG  18   4.952  -1.940 -12.170
  363   HH21  ARG  18          1HH2      ARG  18   5.817  -3.929  -9.351
  364   HH22  ARG  18          2HH2      ARG  18   5.344  -3.981 -10.980
  365    H    SER  19           H        SER  19   1.689  -0.754  -5.256
  366    HA   SER  19           HA       SER  19  -0.397   0.641  -6.583
  367    HB2  SER  19           2HB      SER  19  -0.318  -1.831  -6.405
  368    HB3  SER  19           1HB      SER  19  -0.477  -1.715  -4.665
  369    HG   SER  19           HG       SER  19  -2.369  -0.779  -6.559
  370    H    LEU  20           H        LEU  20   0.617   0.135  -3.199
  371    HA   LEU  20           HA       LEU  20  -1.484   1.868  -2.207
  372    HB2  LEU  20           2HB      LEU  20   1.057   1.543  -0.624
  373    HB3  LEU  20           1HB      LEU  20  -0.532   1.849  -0.095
  374    HG   LEU  20           HG       LEU  20  -1.104  -0.564  -0.712
  375   HD11  LEU  20          1HD1      LEU  20   1.877  -0.685  -0.525
  376   HD12  LEU  20          2HD1      LEU  20   0.923  -1.053  -1.971
  377   HD13  LEU  20          3HD1      LEU  20   0.799  -2.075  -0.538
  378   HD21  LEU  20          3HD2      LEU  20  -0.266  -1.313   1.446
  379   HD22  LEU  20          1HD2      LEU  20  -0.992   0.293   1.547
  380   HD23  LEU  20          2HD2      LEU  20   0.765   0.113   1.534
  381    H    ALA  21           H        ALA  21   1.704   2.254  -3.247
  382    HA   ALA  21           HA       ALA  21   2.202   4.875  -2.333
  383    HB1  ALA  21           1HB      ALA  21   3.299   3.643  -4.841
  384    HB2  ALA  21           2HB      ALA  21   3.910   3.317  -3.235
  385    HB3  ALA  21           3HB      ALA  21   4.020   4.953  -3.902
  386    H    ARG  22           H        ARG  22   0.521   3.741  -5.178
  387    HA   ARG  22           HA       ARG  22   0.472   6.393  -6.316
  388    HB2  ARG  22           2HB      ARG  22  -0.710   5.422  -8.190
  389    HB3  ARG  22           1HB      ARG  22   0.726   4.485  -7.817
  390    HG2  ARG  22           2HG      ARG  22  -0.769   2.891  -6.595
  391    HG3  ARG  22           1HG      ARG  22  -2.138   3.794  -7.243
  392    HD2  ARG  22           2HD      ARG  22  -0.000   2.387  -8.831
  393    HD3  ARG  22           1HD      ARG  22  -1.671   1.866  -8.626
  394    HE   ARG  22           HE       ARG  22  -1.581   4.469  -9.709
  395   HH11  ARG  22          1HH1      ARG  22  -0.994   1.111 -10.617
  396   HH12  ARG  22          2HH1      ARG  22  -1.364   1.339 -12.259
  397   HH21  ARG  22          1HH2      ARG  22  -2.081   4.802 -11.959
  398   HH22  ARG  22          2HH2      ARG  22  -1.985   3.495 -13.044
  399    H    PHE  23           H        PHE  23  -1.355   4.825  -4.051
  400    HA   PHE  23           HA       PHE  23  -3.658   6.543  -4.654
  401    HB2  PHE  23           2HB      PHE  23  -3.500   4.019  -3.019
  402    HB3  PHE  23           1HB      PHE  23  -4.857   5.129  -2.887
  403    HD1  PHE  23           1HD      PHE  23  -3.155   2.709  -5.045
  404    HD2  PHE  23           2HD      PHE  23  -6.456   5.343  -4.654
  405    HE1  PHE  23           1HE      PHE  23  -4.234   1.624  -6.962
  406    HE2  PHE  23           2HE      PHE  23  -7.544   4.271  -6.567
  407    HZ   PHE  23           HZ       PHE  23  -6.437   2.404  -7.731
  408    H    CYS  24           H        CYS  24  -1.875   5.340  -1.958
  409    HA   CYS  24           HA       CYS  24  -1.160   6.193  -0.021
  410    HB2  CYS  24           2HB      CYS  24  -0.150   7.859  -1.661
  411    HB3  CYS  24           1HB      CYS  24  -1.453   8.951  -1.223
  412    HN1  NH2  25           HT1      CYS  24  -3.201   9.015  -0.643
  413    HN2  NH2  25           HT2      CYS  24  -4.289   8.723   0.662
  Start of MODEL    4
    1    H1   ASP   1           1HT      ASP   1  11.767   3.893  -3.064
    2    H2   ASP   1           2HT      ASP   1  11.981   5.044  -4.228
    3    H3   ASP   1           3HT      ASP   1  13.351   4.330  -3.589
    4    HA   ASP   1           HA       ASP   1  11.334   3.217  -5.422
    5    HB2  ASP   1           2HB      ASP   1  13.256   2.935  -6.907
    6    HB3  ASP   1           1HB      ASP   1  13.122   4.623  -6.401
    7    H    SER   2           H        SER   2  14.064   2.354  -3.330
    8    HA   SER   2           HA       SER   2  14.251  -0.317  -4.051
    9    HB2  SER   2           2HB      SER   2  14.792   0.816  -1.313
   10    HB3  SER   2           1HB      SER   2  15.578  -0.578  -2.066
   11    HG   SER   2           HG       SER   2  16.506   0.745  -3.552
   12    H    TRP   3           H        TRP   3  11.994   1.142  -2.334
   13    HA   TRP   3           HA       TRP   3  10.939  -1.197  -0.942
   14    HB2  TRP   3           2HB      TRP   3   9.310   0.467   0.079
   15    HB3  TRP   3           1HB      TRP   3  11.004   0.669   0.503
   16    HD1  TRP   3           HD       TRP   3  12.027   3.051   0.113
   17    HE1  TRP   3           1HE      TRP   3  11.206   5.216  -1.011
   18    HE3  TRP   3           3HE      TRP   3   7.701   1.337  -2.049
   19    HZ2  TRP   3           2HZ      TRP   3   9.089   6.083  -2.566
   20    HZ3  TRP   3           3HZ      TRP   3   6.353   2.902  -3.350
   21    HH2  TRP   3           HH       TRP   3   7.027   5.244  -3.607
   22    H    MET   4           H        MET   4  10.533   0.154  -3.969
   23    HA   MET   4           HA       MET   4   7.662   0.274  -3.951
   24    HB2  MET   4           2HB      MET   4   7.706   1.021  -6.199
   25    HB3  MET   4           1HB      MET   4   9.021   1.818  -5.364
   26    HG2  MET   4           2HG      MET   4  10.613   0.270  -6.380
   27    HG3  MET   4           1HG      MET   4   9.292  -0.544  -7.219
   28    HE1  MET   4           3HE      MET   4  10.588  -0.234  -9.505
   29    HE2  MET   4           1HE      MET   4  11.899   0.584  -8.657
   30    HE3  MET   4           2HE      MET   4  11.187   1.316 -10.095
   31    H    GLU   5           H        GLU   5   9.986  -2.045  -4.987
   32    HA   GLU   5           HA       GLU   5   7.893  -3.699  -6.170
   33    HB2  GLU   5           2HB      GLU   5  10.354  -3.506  -7.038
   34    HB3  GLU   5           1HB      GLU   5  10.775  -4.505  -5.662
   35    HG2  GLU   5           2HG      GLU   5   8.982  -5.289  -7.964
   36    HG3  GLU   5           1HG      GLU   5  10.643  -5.794  -7.721
   37    H    GLU   6           H        GLU   6   6.592  -4.413  -4.620
   38    HA   GLU   6           HA       GLU   6   7.449  -6.283  -2.698
   39    HB2  GLU   6           2HB      GLU   6   8.041  -3.869  -1.713
   40    HB3  GLU   6           1HB      GLU   6   6.299  -3.815  -1.597
   41    HG2  GLU   6           2HG      GLU   6   6.135  -5.510  -0.054
   42    HG3  GLU   6           1HG      GLU   6   7.800  -6.026  -0.325
   43    H    VAL   7           H        VAL   7   5.642  -7.070  -1.638
   44    HA   VAL   7           HA       VAL   7   3.026  -6.109  -2.389
   45    HB   VAL   7           HB       VAL   7   3.506  -7.808  -4.136
   46   HG11  VAL   7          1HG1      VAL   7   3.834  -9.777  -1.881
   47   HG12  VAL   7          2HG1      VAL   7   5.102  -9.211  -2.965
   48   HG13  VAL   7          3HG1      VAL   7   3.769 -10.180  -3.597
   49   HG21  VAL   7          3HG2      VAL   7   1.200  -7.552  -3.413
   50   HG22  VAL   7          1HG2      VAL   7   1.441  -8.741  -2.137
   51   HG23  VAL   7          2HG2      VAL   7   1.521  -9.232  -3.828
   52    H    ILE   8           H        ILE   8   1.688  -6.209  -0.744
   53    HA   ILE   8           HA       ILE   8   2.465  -7.855   1.555
   54    HB   ILE   8           HB       ILE   8   1.787  -6.055   3.075
   55   HG12  ILE   8          2HG1      ILE   8   1.440  -4.443   0.546
   56   HG13  ILE   8          1HG1      ILE   8   0.172  -4.921   1.651
   57   HG21  ILE   8          1HG2      ILE   8   3.882  -5.188   1.089
   58   HG22  ILE   8          2HG2      ILE   8   4.137  -6.217   2.500
   59   HG23  ILE   8          3HG2      ILE   8   3.672  -4.524   2.709
   60   HD11  ILE   8          3HD1      ILE   8   0.735  -2.577   1.959
   61   HD12  ILE   8          1HD1      ILE   8   2.412  -3.012   2.292
   62   HD13  ILE   8          2HD1      ILE   8   1.136  -3.515   3.398
   63    H    LYS   9           H        LYS   9   0.593  -7.898   3.105
   64    HA   LYS   9           HA       LYS   9  -1.974  -7.787   1.724
   65    HB2  LYS   9           2HB      LYS   9  -1.166 -10.141   1.648
   66    HB3  LYS   9           1HB      LYS   9  -1.039 -10.138   3.398
   67    HG2  LYS   9           2HG      LYS   9  -3.465  -9.848   3.576
   68    HG3  LYS   9           1HG      LYS   9  -3.593  -9.846   1.814
   69    HD2  LYS   9           2HD      LYS   9  -2.651 -12.108   1.751
   70    HD3  LYS   9           1HD      LYS   9  -2.532 -12.105   3.509
   71    HE2  LYS   9           2HE      LYS   9  -4.957 -11.915   3.671
   72    HE3  LYS   9           1HE      LYS   9  -5.077 -11.877   1.911
   73    HZ1  LYS   9           3HZ      LYS   9  -4.068 -14.147   3.547
   74    HZ2  LYS   9           1HZ      LYS   9  -4.110 -14.125   1.860
   75    HZ3  LYS   9           2HZ      LYS   9  -5.534 -14.077   2.733
   76    H    LEU  10           H        LEU  10  -2.257  -5.911   2.868
   77    HA   LEU  10           HA       LEU  10  -2.746  -6.193   5.764
   78    HB2  LEU  10           2HB      LEU  10  -1.466  -3.976   4.230
   79    HB3  LEU  10           1HB      LEU  10  -2.443  -3.567   5.599
   80    HG   LEU  10           HG       LEU  10  -1.001  -4.785   7.093
   81   HD11  LEU  10          1HD1      LEU  10   0.690  -5.411   4.668
   82   HD12  LEU  10          2HD1      LEU  10  -0.240  -6.584   5.602
   83   HD13  LEU  10          3HD1      LEU  10   1.133  -5.755   6.340
   84   HD21  LEU  10          3HD2      LEU  10   0.615  -3.013   5.283
   85   HD22  LEU  10          1HD2      LEU  10   0.970  -3.386   6.962
   86   HD23  LEU  10          2HD2      LEU  10  -0.472  -2.447   6.535
   87    H    CYS  11           H        CYS  11  -4.164  -4.307   6.428
   88    HA   CYS  11           HA       CYS  11  -6.282  -3.916   4.449
   89    HB2  CYS  11           2HB      CYS  11  -6.935  -4.982   7.179
   90    HB3  CYS  11           1HB      CYS  11  -7.993  -4.675   5.806
   91    H    GLY  12           H        GLY  12  -7.828  -2.336   5.096
   92    HA2  GLY  12           2HA      GLY  12  -8.462  -0.271   5.892
   93    HA3  GLY  12           1HA      GLY  12  -8.248  -1.076   7.414
   94    H    ARG  13           H        ARG  13  -7.114  -0.182   8.695
   95    HA   ARG  13           HA       ARG  13  -5.898   2.351   8.256
   96    HB2  ARG  13           2HB      ARG  13  -5.835   0.651  10.750
   97    HB3  ARG  13           1HB      ARG  13  -5.481   2.375  10.655
   98    HG2  ARG  13           2HG      ARG  13  -7.735   2.839   9.954
   99    HG3  ARG  13           1HG      ARG  13  -8.120   1.119   9.949
  100    HD2  ARG  13           2HD      ARG  13  -7.617   1.119  12.400
  101    HD3  ARG  13           1HD      ARG  13  -7.474   2.878  12.303
  102    HE   ARG  13           HE       ARG  13  -9.885   1.944  11.142
  103   HH11  ARG  13          1HH1      ARG  13  -8.424   2.685  14.282
  104   HH12  ARG  13          2HH1      ARG  13  -9.897   2.983  15.065
  105   HH21  ARG  13          1HH2      ARG  13 -11.928   2.331  12.207
  106   HH22  ARG  13          2HH2      ARG  13 -11.951   2.792  13.848
  107    H    GLU  14           H        GLU  14  -4.619  -0.898   8.363
  108    HA   GLU  14           HA       GLU  14  -1.945   0.004   8.887
  109    HB2  GLU  14           2HB      GLU  14  -3.093  -2.634   8.041
  110    HB3  GLU  14           1HB      GLU  14  -1.374  -2.366   8.260
  111    HG2  GLU  14           2HG      GLU  14  -1.906  -1.648  10.611
  112    HG3  GLU  14           1HG      GLU  14  -3.551  -2.202  10.330
  113    H    LEU  15           H        LEU  15  -3.938  -0.693   6.195
  114    HA   LEU  15           HA       LEU  15  -2.000  -0.562   4.130
  115    HB2  LEU  15           2HB      LEU  15  -4.862   0.387   4.103
  116    HB3  LEU  15           1HB      LEU  15  -3.857   0.224   2.680
  117    HG   LEU  15           HG       LEU  15  -4.633  -2.058   4.474
  118   HD11  LEU  15          1HD1      LEU  15  -6.573  -1.097   3.359
  119   HD12  LEU  15          2HD1      LEU  15  -6.154  -2.676   2.713
  120   HD13  LEU  15          3HD1      LEU  15  -5.729  -1.207   1.807
  121   HD21  LEU  15          3HD2      LEU  15  -3.398  -1.990   1.739
  122   HD22  LEU  15          1HD2      LEU  15  -3.873  -3.402   2.685
  123   HD23  LEU  15          2HD2      LEU  15  -2.559  -2.371   3.258
  124    H    VAL  16           H        VAL  16  -3.922   1.855   5.777
  125    HA   VAL  16           HA       VAL  16  -2.943   4.107   4.366
  126    HB   VAL  16           HB       VAL  16  -4.032   4.019   7.206
  127   HG11  VAL  16          1HG1      VAL  16  -4.629   6.373   6.842
  128   HG12  VAL  16          2HG1      VAL  16  -3.861   6.318   5.255
  129   HG13  VAL  16          3HG1      VAL  16  -2.888   6.116   6.712
  130   HG21  VAL  16          3HG2      VAL  16  -5.623   3.040   5.651
  131   HG22  VAL  16          1HG2      VAL  16  -5.495   4.451   4.604
  132   HG23  VAL  16          2HG2      VAL  16  -6.201   4.609   6.212
  133    H    ARG  17           H        ARG  17  -1.904   2.526   7.353
  134    HA   ARG  17           HA       ARG  17   0.200   4.273   7.937
  135    HB2  ARG  17           2HB      ARG  17  -0.343   1.435   8.641
  136    HB3  ARG  17           1HB      ARG  17   1.234   2.088   9.018
  137    HG2  ARG  17           2HG      ARG  17  -1.415   3.149   9.984
  138    HG3  ARG  17           1HG      ARG  17  -0.256   2.210  10.923
  139    HD2  ARG  17           2HD      ARG  17   0.191   4.984   9.790
  140    HD3  ARG  17           1HD      ARG  17  -0.014   4.541  11.478
  141    HE   ARG  17           HE       ARG  17   2.061   3.041  10.787
  142   HH11  ARG  17          1HH1      ARG  17   1.483   6.526  10.427
  143   HH12  ARG  17          2HH1      ARG  17   3.142   6.925  10.436
  144   HH21  ARG  17          1HH2      ARG  17   4.327   3.629  10.830
  145   HH22  ARG  17          2HH2      ARG  17   4.765   5.270  10.700
  146    H    ALA  18           H        ALA  18   0.132   1.487   5.882
  147    HA   ALA  18           HA       ALA  18   2.900   1.501   5.258
  148    HB1  ALA  18           1HB      ALA  18   2.295   0.046   3.366
  149    HB2  ALA  18           2HB      ALA  18   0.589   0.412   3.646
  150    HB3  ALA  18           3HB      ALA  18   1.510  -0.474   4.857
  151    H    GLN  19           H        GLN  19   0.062   2.838   3.662
  152    HA   GLN  19           HA       GLN  19   1.149   4.058   1.451
  153    HB2  GLN  19           2HB      GLN  19  -1.114   4.653   3.269
  154    HB3  GLN  19           1HB      GLN  19  -0.819   5.792   1.994
  155    HG2  GLN  19           2HG      GLN  19  -1.049   3.943   0.373
  156    HG3  GLN  19           1HG      GLN  19  -1.346   2.834   1.717
  157   HE21  GLN  19          1HE2      GLN  19  -2.951   3.472  -0.571
  158   HE22  GLN  19          2HE2      GLN  19  -4.468   4.043   0.034
  159    H    ILE  20           H        ILE  20   0.528   5.492   4.609
  160    HA   ILE  20           HA       ILE  20   1.753   7.975   4.320
  161    HB   ILE  20           HB       ILE  20   1.398   6.276   6.810
  162   HG12  ILE  20          2HG1      ILE  20  -0.201   8.627   5.779
  163   HG13  ILE  20          1HG1      ILE  20  -0.678   6.939   5.655
  164   HG21  ILE  20          1HG2      ILE  20   3.163   7.900   7.211
  165   HG22  ILE  20          2HG2      ILE  20   1.707   8.302   8.122
  166   HG23  ILE  20          3HG2      ILE  20   2.102   9.199   6.657
  167   HD11  ILE  20          3HD1      ILE  20  -0.297   8.490   8.209
  168   HD12  ILE  20          1HD1      ILE  20  -0.772   6.795   8.096
  169   HD13  ILE  20          2HD1      ILE  20  -1.839   8.052   7.474
  170    H    ALA  21           H        ALA  21   3.143   4.906   5.422
  171    HA   ALA  21           HA       ALA  21   5.701   5.862   6.047
  172    HB1  ALA  21           1HB      ALA  21   4.879   3.666   6.780
  173    HB2  ALA  21           2HB      ALA  21   6.422   3.529   5.935
  174    HB3  ALA  21           3HB      ALA  21   4.923   3.099   5.111
  175    H    ILE  22           H        ILE  22   4.376   4.514   3.085
  176    HA   ILE  22           HA       ILE  22   6.616   4.449   1.433
  177    HB   ILE  22           HB       ILE  22   3.707   4.940   0.832
  178   HG12  ILE  22          2HG1      ILE  22   5.452   2.530   0.329
  179   HG13  ILE  22          1HG1      ILE  22   4.369   2.723   1.704
  180   HG21  ILE  22          1HG2      ILE  22   4.157   4.523  -1.528
  181   HG22  ILE  22          2HG2      ILE  22   5.890   4.527  -1.195
  182   HG23  ILE  22          3HG2      ILE  22   4.941   5.995  -0.954
  183   HD11  ILE  22          3HD1      ILE  22   2.476   2.842   0.169
  184   HD12  ILE  22          1HD1      ILE  22   3.366   1.328   0.005
  185   HD13  ILE  22          2HD1      ILE  22   3.573   2.607  -1.193
  186    H    CYS  23           H        CYS  23   4.348   7.099   1.955
  187    HA   CYS  23           HA       CYS  23   5.718   8.809   0.136
  188    HB2  CYS  23           2HB      CYS  23   3.522   9.177   2.098
  189    HB3  CYS  23           1HB      CYS  23   4.275  10.568   1.329
  190    H    GLY  24           H        GLY  24   5.994   8.138   3.402
  191    HA2  GLY  24           2HA      GLY  24   7.847  10.335   3.920
  192    HA3  GLY  24           1HA      GLY  24   7.399   9.079   5.068
  193    H    MET  25           H        MET  25   8.239   7.693   2.115
  194    HA   MET  25           HA       MET  25  10.887   6.934   3.132
  195    HB2  MET  25           2HB      MET  25   8.898   5.578   1.367
  196    HB3  MET  25           1HB      MET  25  10.594   5.154   1.231
  197    HG2  MET  25           2HG      MET  25   8.954   5.010   3.738
  198    HG3  MET  25           1HG      MET  25   9.351   3.654   2.677
  199    HE1  MET  25           3HE      MET  25  11.545   3.065   5.893
  200    HE2  MET  25           1HE      MET  25  10.267   2.417   4.868
  201    HE3  MET  25           2HE      MET  25   9.960   3.841   5.859
  202    H    SER  26           H        SER  26  10.565   9.419   1.864
  203    HA   SER  26           HA       SER  26  11.411   9.173  -0.869
  204    HB2  SER  26           2HB      SER  26   9.872  10.989  -0.062
  205    HB3  SER  26           1HB      SER  26  11.196  11.640   0.895
  206    HG   SER  26           HG       SER  26  12.341  11.850  -1.119
  207    H    THR  27           H        THR  27  13.034   8.272   1.548
  208    HA   THR  27           HA       THR  27  15.469   9.817   1.415
  209    HB   THR  27           HB       THR  27  15.093   7.128   2.716
  210    HG1  THR  27           1HG      THR  27  14.303   9.705   3.608
  211   HG21  THR  27          3HG2      THR  27  16.777   9.536   3.464
  212   HG22  THR  27          1HG2      THR  27  17.368   8.067   2.690
  213   HG23  THR  27          2HG2      THR  27  16.725   8.000   4.329
  214    H    TRP  28           H        TRP  28  14.061   7.320  -0.087
  215    HA   TRP  28           HA       TRP  28  16.543   6.083  -1.043
  216    HB2  TRP  28           2HB      TRP  28  13.679   5.167  -1.478
  217    HB3  TRP  28           1HB      TRP  28  15.128   4.273  -1.928
  218    HD1  TRP  28           HD       TRP  28  12.934   5.124   1.040
  219    HE1  TRP  28           1HE      TRP  28  13.672   3.771   3.076
  220    HE3  TRP  28           3HE      TRP  28  17.206   3.086  -0.884
  221    HZ2  TRP  28           2HZ      TRP  28  15.793   2.022   3.771
  222    HZ3  TRP  28           3HZ      TRP  28  18.527   1.572   0.533
  223    HH2  TRP  28           HH       TRP  28  17.836   1.051   2.811
  224    H    SER  29           H        SER  29  17.349   6.847  -2.875
  225    HA   SER  29           HA       SER  29  15.522   7.565  -5.003
  226    HB2  SER  29           2HB      SER  29  17.657   9.438  -3.965
  227    HB3  SER  29           1HB      SER  29  16.618   9.737  -5.361
  228    HG   SER  29           HG       SER  29  15.086   9.080  -3.327
  229    HN1  NH2  30           HT1      SER  29  16.441   5.545  -5.704
  230    HN2  NH2  30           HT2      SER  29  17.973   5.508  -6.494
  231    HA   PCA   1           HA       PCA   1 -14.309   4.103  -3.855
  232    HB2  PCA   1           2HB      PCA   1 -14.965   1.958  -5.602
  233    HB3  PCA   1           1HB      PCA   1 -16.119   2.906  -4.623
  234    HG2  PCA   1           2HG      PCA   1 -15.706   2.969  -7.503
  235    HG3  PCA   1           1HG      PCA   1 -16.920   3.875  -6.536
  236    H    LEU   2           H        LEU   2 -12.191   4.813  -5.567
  237    HA   LEU   2           HA       LEU   2 -10.742   2.449  -6.337
  238    HB2  LEU   2           2HB      LEU   2  -9.690   5.262  -6.110
  239    HB3  LEU   2           1HB      LEU   2  -8.897   3.918  -6.911
  240    HG   LEU   2           HG       LEU   2 -11.491   5.187  -7.779
  241   HD11  LEU   2          1HD1      LEU   2  -9.591   6.634  -8.169
  242   HD12  LEU   2          2HD1      LEU   2 -10.199   5.985  -9.693
  243   HD13  LEU   2          3HD1      LEU   2  -8.734   5.321  -8.970
  244   HD21  LEU   2          3HD2      LEU   2 -11.243   3.786  -9.787
  245   HD22  LEU   2          1HD2      LEU   2 -11.446   2.815  -8.328
  246   HD23  LEU   2          2HD2      LEU   2  -9.849   2.997  -9.050
  247    H    TYR   3           H        TYR   3 -10.672   4.541  -3.563
  248    HA   TYR   3           HA       TYR   3  -8.360   3.388  -2.349
  249    HB2  TYR   3           2HB      TYR   3 -10.698   4.885  -1.219
  250    HB3  TYR   3           1HB      TYR   3  -9.443   4.234  -0.194
  251    HD1  TYR   3           2HD      TYR   3  -7.015   5.032  -0.738
  252    HD2  TYR   3           1HD      TYR   3 -10.506   6.996  -2.155
  253    HE1  TYR   3           2HE      TYR   3  -5.706   7.079  -1.121
  254    HE2  TYR   3           1HE      TYR   3  -9.208   9.038  -2.541
  255    HH   TYR   3           HH       TYR   3  -7.252  10.058  -1.844
  256    H    SER   4           H        SER   4 -11.787   2.896  -1.961
  257    HA   SER   4           HA       SER   4 -11.855   0.787  -0.211
  258    HB2  SER   4           2HB      SER   4 -13.651   1.179  -2.591
  259    HB3  SER   4           1HB      SER   4 -14.058   0.431  -1.041
  260    HG   SER   4           HG       SER   4 -14.787   2.548  -1.184
  261    H    ALA   5           H        ALA   5 -11.473   0.774  -3.746
  262    HA   ALA   5           HA       ALA   5 -11.474  -1.960  -4.205
  263    HB1  ALA   5           1HB      ALA   5 -10.259  -1.452  -6.270
  264    HB2  ALA   5           2HB      ALA   5  -9.876   0.155  -5.656
  265    HB3  ALA   5           3HB      ALA   5 -11.549  -0.278  -6.004
  266    H    LEU   6           H        LEU   6  -8.677   0.181  -3.682
  267    HA   LEU   6           HA       LEU   6  -6.722  -1.828  -3.586
  268    HB2  LEU   6           2HB      LEU   6  -6.102   0.518  -3.752
  269    HB3  LEU   6           1HB      LEU   6  -6.804   0.850  -2.181
  270    HG   LEU   6           HG       LEU   6  -5.076  -0.603  -1.141
  271   HD11  LEU   6          1HD1      LEU   6  -3.107  -1.230  -2.429
  272   HD12  LEU   6          2HD1      LEU   6  -3.901  -0.673  -3.903
  273   HD13  LEU   6          3HD1      LEU   6  -4.566  -2.037  -3.003
  274   HD21  LEU   6          3HD2      LEU   6  -3.209   0.971  -1.405
  275   HD22  LEU   6          1HD2      LEU   6  -4.751   1.806  -1.213
  276   HD23  LEU   6          2HD2      LEU   6  -4.013   1.670  -2.807
  277    H    ALA   7           H        ALA   7  -8.673  -0.422  -1.012
  278    HA   ALA   7           HA       ALA   7  -7.555  -1.715   1.168
  279    HB1  ALA   7           1HB      ALA   7 -10.454  -0.968   0.801
  280    HB2  ALA   7           2HB      ALA   7  -9.181   0.122   1.345
  281    HB3  ALA   7           3HB      ALA   7  -9.640  -1.261   2.338
  282    H    ASN   8           H        ASN   8 -10.302  -2.750  -0.805
  283    HA   ASN   8           HA       ASN   8 -10.638  -5.183   0.614
  284    HB2  ASN   8           2HB      ASN   8 -11.649  -4.355  -2.112
  285    HB3  ASN   8           1HB      ASN   8 -12.115  -5.846  -1.299
  286   HD21  ASN   8          1HD2      ASN   8 -13.792  -3.586  -2.116
  287   HD22  ASN   8          2HD2      ASN   8 -14.535  -3.019  -0.685
  288    H    LYS   9           H        LYS   9  -9.073  -4.385  -2.431
  289    HA   LYS   9           HA       LYS   9  -8.412  -7.013  -3.144
  290    HB2  LYS   9           2HB      LYS   9  -7.253  -4.352  -3.903
  291    HB3  LYS   9           1HB      LYS   9  -6.616  -5.827  -4.592
  292    HG2  LYS   9           2HG      LYS   9  -8.786  -6.326  -5.579
  293    HG3  LYS   9           1HG      LYS   9  -9.495  -4.930  -4.773
  294    HD2  LYS   9           2HD      LYS   9  -9.044  -4.470  -7.139
  295    HD3  LYS   9           1HD      LYS   9  -8.072  -3.439  -6.095
  296    HE2  LYS   9           2HE      LYS   9  -6.134  -4.818  -6.469
  297    HE3  LYS   9           1HE      LYS   9  -7.085  -5.982  -7.393
  298    HZ1  LYS   9           3HZ      LYS   9  -7.471  -4.302  -9.049
  299    HZ2  LYS   9           1HZ      LYS   9  -5.814  -4.466  -8.825
  300    HZ3  LYS   9           2HZ      LYS   9  -6.643  -3.148  -8.172
  301    H    CYS  10           H        CYS  10  -6.523  -4.671  -1.292
  302    HA   CYS  10           HA       CYS  10  -4.268  -6.464  -1.090
  303    HB2  CYS  10           2HB      CYS  10  -4.281  -3.887  -0.838
  304    HB3  CYS  10           1HB      CYS  10  -4.899  -4.197   0.771
  305    H    CYS  11           H        CYS  11  -7.193  -5.932   0.715
  306    HA   CYS  11           HA       CYS  11  -6.243  -7.275   3.028
  307    HB2  CYS  11           2HB      CYS  11  -8.149  -5.560   2.889
  308    HB3  CYS  11           1HB      CYS  11  -9.131  -6.887   2.293
  309    H    HIS  12           H        HIS  12  -7.931  -8.217   0.083
  310    HA   HIS  12           HA       HIS  12  -8.348 -10.882   1.141
  311    HB2  HIS  12           2HB      HIS  12  -9.077  -9.620  -1.490
  312    HB3  HIS  12           1HB      HIS  12  -9.263 -11.342  -1.197
  313    HD1  HIS  12           1HD      HIS  12 -11.490 -12.010  -0.234
  314    HD2  HIS  12           2HD      HIS  12 -10.622  -8.012   0.407
  315    HE1  HIS  12           1HE      HIS  12 -13.559 -11.012   0.783
  316    H    VAL  13           H        VAL  13  -6.676  -9.573  -1.709
  317    HA   VAL  13           HA       VAL  13  -5.128 -12.047  -1.706
  318    HB   VAL  13           HB       VAL  13  -4.442 -11.436  -4.015
  319   HG11  VAL  13          1HG1      VAL  13  -6.247 -13.044  -3.573
  320   HG12  VAL  13          2HG1      VAL  13  -6.631 -12.103  -5.017
  321   HG13  VAL  13          3HG1      VAL  13  -7.409 -11.722  -3.480
  322   HG21  VAL  13          3HG2      VAL  13  -5.849  -9.842  -5.296
  323   HG22  VAL  13          1HG2      VAL  13  -4.897  -9.050  -4.038
  324   HG23  VAL  13          2HG2      VAL  13  -6.616  -9.347  -3.786
  325    H    GLY  14           H        GLY  14  -4.673  -8.633  -2.102
  326    HA2  GLY  14           2HA      GLY  14  -2.823  -7.933  -0.425
  327    HA3  GLY  14           1HA      GLY  14  -1.836  -8.940  -1.446
  328    H    CYS  15           H        CYS  15  -1.024  -6.511  -1.290
  329    HA   CYS  15           HA       CYS  15  -1.798  -5.400  -3.855
  330    HB2  CYS  15           2HB      CYS  15  -1.728  -3.139  -2.900
  331    HB3  CYS  15           1HB      CYS  15  -3.074  -4.117  -2.346
  332    H    THR  16           H        THR  16  -0.263  -4.100  -4.800
  333    HA   THR  16           HA       THR  16   2.391  -4.756  -4.025
  334    HB   THR  16           HB       THR  16   2.792  -3.413  -6.225
  335    HG1  THR  16           1HG      THR  16   0.574  -3.983  -7.399
  336   HG21  THR  16          3HG2      THR  16   2.330  -5.419  -7.559
  337   HG22  THR  16          1HG2      THR  16   1.319  -6.056  -6.261
  338   HG23  THR  16          2HG2      THR  16   3.054  -5.851  -6.014
  339    H    LYS  17           H        LYS  17   3.872  -3.238  -3.574
  340    HA   LYS  17           HA       LYS  17   2.972  -1.109  -1.897
  341    HB2  LYS  17           2HB      LYS  17   5.123  -2.508  -1.958
  342    HB3  LYS  17           1HB      LYS  17   5.826  -1.234  -2.924
  343    HG2  LYS  17           2HG      LYS  17   6.440  -0.844  -0.664
  344    HG3  LYS  17           1HG      LYS  17   5.166   0.333  -1.013
  345    HD2  LYS  17           2HD      LYS  17   3.520  -1.037   0.110
  346    HD3  LYS  17           1HD      LYS  17   4.677  -2.350   0.293
  347    HE2  LYS  17           2HE      LYS  17   4.874   0.367   1.593
  348    HE3  LYS  17           1HE      LYS  17   4.323  -1.109   2.383
  349    HZ1  LYS  17           3HZ      LYS  17   6.556  -2.070   1.840
  350    HZ2  LYS  17           1HZ      LYS  17   6.594  -0.782   2.940
  351    HZ3  LYS  17           2HZ      LYS  17   7.032  -0.515   1.352
  352    H    ARG  18           H        ARG  18   4.010  -1.171  -5.231
  353    HA   ARG  18           HA       ARG  18   4.086   1.629  -5.689
  354    HB2  ARG  18           2HB      ARG  18   3.617  -0.742  -7.476
  355    HB3  ARG  18           1HB      ARG  18   3.502   0.894  -8.099
  356    HG2  ARG  18           2HG      ARG  18   5.934  -0.007  -6.627
  357    HG3  ARG  18           1HG      ARG  18   5.726  -0.386  -8.333
  358    HD2  ARG  18           2HD      ARG  18   5.580   2.410  -7.185
  359    HD3  ARG  18           1HD      ARG  18   7.024   1.715  -7.923
  360    HE   ARG  18           HE       ARG  18   5.070   1.379  -9.778
  361   HH11  ARG  18          1HH1      ARG  18   6.362   4.226  -8.112
  362   HH12  ARG  18          2HH1      ARG  18   6.159   5.267  -9.443
  363   HH21  ARG  18          1HH2      ARG  18   4.800   2.826 -11.594
  364   HH22  ARG  18          2HH2      ARG  18   5.247   4.462 -11.446
  365    H    SER  19           H        SER  19   1.514  -0.592  -5.267
  366    HA   SER  19           HA       SER  19  -0.491   0.952  -6.578
  367    HB2  SER  19           2HB      SER  19  -0.638  -1.467  -6.460
  368    HB3  SER  19           1HB      SER  19  -0.630  -1.439  -4.716
  369    HG   SER  19           HG       SER  19  -2.671  -1.625  -5.245
  370    H    LEU  20           H        LEU  20   0.473   0.321  -3.200
  371    HA   LEU  20           HA       LEU  20  -1.512   2.183  -2.201
  372    HB2  LEU  20           2HB      LEU  20   0.936   1.656  -0.500
  373    HB3  LEU  20           1HB      LEU  20  -0.667   2.051  -0.087
  374    HG   LEU  20           HG       LEU  20  -1.394  -0.263  -0.838
  375   HD11  LEU  20          1HD1      LEU  20   0.307  -1.978  -0.647
  376   HD12  LEU  20          2HD1      LEU  20   1.539  -0.732  -0.476
  377   HD13  LEU  20          3HD1      LEU  20   0.652  -0.894  -1.995
  378   HD21  LEU  20          3HD2      LEU  20  -1.310   0.515   1.482
  379   HD22  LEU  20          1HD2      LEU  20   0.397   0.059   1.529
  380   HD23  LEU  20          2HD2      LEU  20  -0.840  -1.185   1.323
  381    H    ALA  21           H        ALA  21   1.653   2.399  -3.298
  382    HA   ALA  21           HA       ALA  21   2.224   5.036  -2.441
  383    HB1  ALA  21           1HB      ALA  21   3.947   3.496  -3.329
  384    HB2  ALA  21           2HB      ALA  21   3.955   5.059  -4.144
  385    HB3  ALA  21           3HB      ALA  21   3.227   3.659  -4.929
  386    H    ARG  22           H        ARG  22   0.614   3.753  -5.260
  387    HA   ARG  22           HA       ARG  22   0.323   6.117  -6.728
  388    HB2  ARG  22           2HB      ARG  22  -0.014   3.873  -7.650
  389    HB3  ARG  22           1HB      ARG  22  -1.421   3.654  -6.631
  390    HG2  ARG  22           2HG      ARG  22  -2.160   4.123  -8.858
  391    HG3  ARG  22           1HG      ARG  22  -2.510   5.498  -7.807
  392    HD2  ARG  22           2HD      ARG  22  -0.058   5.377  -9.565
  393    HD3  ARG  22           1HD      ARG  22  -1.589   6.037 -10.118
  394    HE   ARG  22           HE       ARG  22  -1.373   7.642  -8.212
  395   HH11  ARG  22          1HH1      ARG  22   1.572   6.204  -9.567
  396   HH12  ARG  22          2HH1      ARG  22   2.523   7.573  -9.284
  397   HH21  ARG  22          1HH2      ARG  22  -0.056   9.505  -7.815
  398   HH22  ARG  22          2HH2      ARG  22   1.596   9.485  -8.248
  399    H    PHE  23           H        PHE  23  -1.406   4.864  -4.052
  400    HA   PHE  23           HA       PHE  23  -3.431   6.944  -4.333
  401    HB2  PHE  23           2HB      PHE  23  -3.383   4.518  -2.552
  402    HB3  PHE  23           1HB      PHE  23  -4.619   5.768  -2.448
  403    HD1  PHE  23           2HD      PHE  23  -6.169   6.129  -4.293
  404    HD2  PHE  23           1HD      PHE  23  -3.381   2.929  -4.345
  405    HE1  PHE  23           2HE      PHE  23  -7.436   5.067  -6.092
  406    HE2  PHE  23           1HE      PHE  23  -4.646   1.845  -6.152
  407    HZ   PHE  23           HZ       PHE  23  -6.681   2.913  -7.032
  408    H    CYS  24           H        CYS  24  -1.437   5.677  -1.811
  409    HA   CYS  24           HA       CYS  24  -0.700   6.485   0.151
  410    HB2  CYS  24           2HB      CYS  24   0.885   7.527  -1.433
  411    HB3  CYS  24           1HB      CYS  24  -0.142   8.947  -1.539
  412    HN1  NH2  25           HT1      CYS  24  -1.398   9.834  -0.336
  413    HN2  NH2  25           HT2      CYS  24  -2.768   9.926   0.704
  Start of MODEL    5
    1    H1   ASP   1           1HT      ASP   1  11.662  -3.068   1.766
    2    H2   ASP   1           2HT      ASP   1  12.433  -3.541   0.368
    3    H3   ASP   1           3HT      ASP   1  10.734  -3.371   0.387
    4    HA   ASP   1           HA       ASP   1  10.997  -0.993   0.846
    5    HB2  ASP   1           2HB      ASP   1  13.106   0.007   0.331
    6    HB3  ASP   1           1HB      ASP   1  13.292  -1.032   1.770
    7    H    SER   2           H        SER   2  12.190  -3.255  -1.464
    8    HA   SER   2           HA       SER   2  12.417  -1.814  -3.763
    9    HB2  SER   2           2HB      SER   2  11.568  -3.990  -4.862
   10    HB3  SER   2           1HB      SER   2  13.010  -4.067  -3.847
   11    HG   SER   2           HG       SER   2  10.382  -4.919  -3.351
   12    H    TRP   3           H        TRP   3  11.143  -0.560  -4.799
   13    HA   TRP   3           HA       TRP   3   8.424  -0.299  -3.905
   14    HB2  TRP   3           2HB      TRP   3  10.004   1.372  -5.853
   15    HB3  TRP   3           1HB      TRP   3   8.365   1.737  -5.320
   16    HD1  TRP   3           HD       TRP   3  11.831   2.575  -4.484
   17    HE1  TRP   3           1HE      TRP   3  11.994   3.567  -2.105
   18    HE3  TRP   3           3HE      TRP   3   7.235   1.269  -2.741
   19    HZ2  TRP   3           2HZ      TRP   3  10.384   3.776   0.187
   20    HZ3  TRP   3           3HZ      TRP   3   6.628   1.867  -0.481
   21    HH2  TRP   3           HH       TRP   3   8.160   3.102   0.976
   22    H    MET   4           H        MET   4  10.016  -1.231  -6.866
   23    HA   MET   4           HA       MET   4   7.583  -1.093  -8.378
   24    HB2  MET   4           2HB      MET   4  10.185  -2.406  -9.191
   25    HB3  MET   4           1HB      MET   4   8.871  -1.917 -10.249
   26    HG2  MET   4           2HG      MET   4  10.661  -0.103  -8.653
   27    HG3  MET   4           1HG      MET   4  10.649  -0.312 -10.403
   28    HE1  MET   4           3HE      MET   4   9.284   3.348  -9.743
   29    HE2  MET   4           1HE      MET   4  10.585   2.394 -10.457
   30    HE3  MET   4           2HE      MET   4  10.419   2.490  -8.704
   31    H    GLU   5           H        GLU   5   9.375  -3.518  -6.693
   32    HA   GLU   5           HA       GLU   5   7.070  -5.216  -7.086
   33    HB2  GLU   5           2HB      GLU   5   8.801  -6.020  -8.632
   34    HB3  GLU   5           1HB      GLU   5   9.895  -6.237  -7.269
   35    HG2  GLU   5           2HG      GLU   5   8.438  -7.894  -6.311
   36    HG3  GLU   5           1HG      GLU   5   7.262  -7.645  -7.601
   37    H    GLU   6           H        GLU   6   6.268  -4.912  -5.138
   38    HA   GLU   6           HA       GLU   6   7.352  -6.600  -3.126
   39    HB2  GLU   6           2HB      GLU   6   8.155  -4.039  -2.668
   40    HB3  GLU   6           1HB      GLU   6   6.465  -3.936  -2.200
   41    HG2  GLU   6           2HG      GLU   6   6.682  -5.649  -0.562
   42    HG3  GLU   6           1HG      GLU   6   8.367  -5.896  -0.998
   43    H    VAL   7           H        VAL   7   5.682  -7.143  -1.747
   44    HA   VAL   7           HA       VAL   7   3.036  -6.180  -2.334
   45    HB   VAL   7           HB       VAL   7   3.324  -7.852  -4.108
   46   HG11  VAL   7          1HG1      VAL   7   5.026  -9.255  -3.155
   47   HG12  VAL   7          2HG1      VAL   7   3.639 -10.236  -3.629
   48   HG13  VAL   7          3HG1      VAL   7   3.904  -9.841  -1.931
   49   HG21  VAL   7          3HG2      VAL   7   1.468  -8.840  -1.940
   50   HG22  VAL   7          1HG2      VAL   7   1.401  -9.318  -3.636
   51   HG23  VAL   7          2HG2      VAL   7   1.089  -7.643  -3.176
   52    H    ILE   8           H        ILE   8   1.721  -6.368  -0.643
   53    HA   ILE   8           HA       ILE   8   2.488  -8.097   1.565
   54    HB   ILE   8           HB       ILE   8   1.985  -6.380   3.237
   55   HG12  ILE   8          2HG1      ILE   8   0.565  -4.856   1.819
   56   HG13  ILE   8          1HG1      ILE   8   1.756  -4.014   2.791
   57   HG21  ILE   8          1HG2      ILE   8   4.265  -6.766   2.791
   58   HG22  ILE   8          2HG2      ILE   8   4.029  -5.042   3.083
   59   HG23  ILE   8          3HG2      ILE   8   4.248  -5.636   1.438
   60   HD11  ILE   8          3HD1      ILE   8   1.576  -3.017   0.601
   61   HD12  ILE   8          1HD1      ILE   8   1.922  -4.568  -0.170
   62   HD13  ILE   8          2HD1      ILE   8   3.164  -3.762   0.787
   63    H    LYS   9           H        LYS   9   0.686  -8.209   3.181
   64    HA   LYS   9           HA       LYS   9  -1.890  -7.827   1.851
   65    HB2  LYS   9           2HB      LYS   9  -1.114 -10.175   3.598
   66    HB3  LYS   9           1HB      LYS   9  -2.727  -9.856   2.981
   67    HG2  LYS   9           2HG      LYS   9  -1.885 -10.105   0.690
   68    HG3  LYS   9           1HG      LYS   9  -0.282 -10.453   1.335
   69    HD2  LYS   9           2HD      LYS   9  -1.414 -12.530   0.750
   70    HD3  LYS   9           1HD      LYS   9  -1.220 -12.431   2.500
   71    HE2  LYS   9           2HE      LYS   9  -3.543 -11.696   2.724
   72    HE3  LYS   9           1HE      LYS   9  -3.736 -11.744   0.971
   73    HZ1  LYS   9           3HZ      LYS   9  -3.401 -14.107   1.021
   74    HZ2  LYS   9           1HZ      LYS   9  -4.634 -13.703   2.090
   75    HZ3  LYS   9           2HZ      LYS   9  -3.098 -14.089   2.674
   76    H    LEU  10           H        LEU  10  -2.113  -5.931   2.899
   77    HA   LEU  10           HA       LEU  10  -2.571  -6.090   5.796
   78    HB2  LEU  10           2HB      LEU  10  -1.322  -3.907   4.180
   79    HB3  LEU  10           1HB      LEU  10  -2.248  -3.492   5.592
   80    HG   LEU  10           HG       LEU  10  -0.783  -4.767   7.008
   81   HD11  LEU  10          1HD1      LEU  10  -0.035  -6.496   5.441
   82   HD12  LEU  10          2HD1      LEU  10   1.358  -5.676   6.156
   83   HD13  LEU  10          3HD1      LEU  10   0.842  -5.278   4.516
   84   HD21  LEU  10          3HD2      LEU  10  -0.265  -2.439   6.620
   85   HD22  LEU  10          1HD2      LEU  10   0.722  -2.870   5.228
   86   HD23  LEU  10          2HD2      LEU  10   1.217  -3.366   6.847
   87    H    CYS  11           H        CYS  11  -3.963  -4.175   6.419
   88    HA   CYS  11           HA       CYS  11  -6.060  -3.595   4.519
   89    HB2  CYS  11           2HB      CYS  11  -6.565  -5.838   5.157
   90    HB3  CYS  11           1HB      CYS  11  -6.637  -5.404   6.875
   91    H    GLY  12           H        GLY  12  -7.726  -2.419   5.557
   92    HA2  GLY  12           2HA      GLY  12  -8.382  -0.428   6.639
   93    HA3  GLY  12           1HA      GLY  12  -7.936  -1.356   8.046
   94    H    ARG  13           H        ARG  13  -6.894  -0.213   9.320
   95    HA   ARG  13           HA       ARG  13  -5.551   2.206   8.729
   96    HB2  ARG  13           2HB      ARG  13  -4.886   2.301  11.038
   97    HB3  ARG  13           1HB      ARG  13  -6.532   1.696  10.960
   98    HG2  ARG  13           2HG      ARG  13  -5.789  -0.540  11.406
   99    HG3  ARG  13           1HG      ARG  13  -4.102  -0.046  11.280
  100    HD2  ARG  13           2HD      ARG  13  -4.482   1.497  13.199
  101    HD3  ARG  13           1HD      ARG  13  -6.094   0.815  13.359
  102    HE   ARG  13           HE       ARG  13  -5.059  -1.319  13.811
  103   HH11  ARG  13          1HH1      ARG  13  -2.964   1.531  14.125
  104   HH12  ARG  13          2HH1      ARG  13  -1.940   0.825  15.286
  105   HH21  ARG  13          1HH2      ARG  13  -3.649  -2.291  15.394
  106   HH22  ARG  13          2HH2      ARG  13  -2.326  -1.412  16.003
  107    H    GLU  14           H        GLU  14  -4.489  -1.070   8.695
  108    HA   GLU  14           HA       GLU  14  -1.717  -0.565   9.129
  109    HB2  GLU  14           2HB      GLU  14  -3.172  -2.882   7.881
  110    HB3  GLU  14           1HB      GLU  14  -1.481  -2.884   8.348
  111    HG2  GLU  14           2HG      GLU  14  -2.114  -2.591  10.683
  112    HG3  GLU  14           1HG      GLU  14  -3.809  -2.477  10.224
  113    H    LEU  15           H        LEU  15  -3.858  -0.826   6.413
  114    HA   LEU  15           HA       LEU  15  -1.935  -0.647   4.318
  115    HB2  LEU  15           2HB      LEU  15  -4.720   0.506   4.402
  116    HB3  LEU  15           1HB      LEU  15  -3.727   0.405   2.969
  117    HG   LEU  15           HG       LEU  15  -4.775  -1.934   4.531
  118   HD11  LEU  15          1HD1      LEU  15  -6.534  -0.694   3.380
  119   HD12  LEU  15          2HD1      LEU  15  -6.230  -2.242   2.587
  120   HD13  LEU  15          3HD1      LEU  15  -5.596  -0.751   1.888
  121   HD21  LEU  15          3HD2      LEU  15  -3.360  -1.819   1.876
  122   HD22  LEU  15          1HD2      LEU  15  -4.005  -3.242   2.700
  123   HD23  LEU  15          2HD2      LEU  15  -2.658  -2.367   3.412
  124    H    VAL  16           H        VAL  16  -3.689   1.720   6.192
  125    HA   VAL  16           HA       VAL  16  -2.623   4.024   4.920
  126    HB   VAL  16           HB       VAL  16  -3.557   3.836   7.799
  127   HG11  VAL  16          1HG1      VAL  16  -2.467   5.937   7.265
  128   HG12  VAL  16          2HG1      VAL  16  -4.196   6.185   7.513
  129   HG13  VAL  16          3HG1      VAL  16  -3.534   6.158   5.879
  130   HG21  VAL  16          3HG2      VAL  16  -5.203   4.244   5.310
  131   HG22  VAL  16          1HG2      VAL  16  -5.797   4.444   6.959
  132   HG23  VAL  16          2HG2      VAL  16  -5.260   2.862   6.401
  133    H    ARG  17           H        ARG  17  -1.596   2.179   7.721
  134    HA   ARG  17           HA       ARG  17   0.614   3.616   8.582
  135    HB2  ARG  17           2HB      ARG  17   0.147   0.646   8.447
  136    HB3  ARG  17           1HB      ARG  17   1.588   1.301   9.175
  137    HG2  ARG  17           2HG      ARG  17  -1.216   1.914  10.101
  138    HG3  ARG  17           1HG      ARG  17  -0.201   0.640  10.775
  139    HD2  ARG  17           2HD      ARG  17  -0.029   2.534  12.208
  140    HD3  ARG  17           1HD      ARG  17   1.491   2.395  11.338
  141    HE   ARG  17           HE       ARG  17  -0.644   4.294  10.667
  142   HH11  ARG  17          1HH1      ARG  17   2.819   3.498  10.806
  143   HH12  ARG  17          2HH1      ARG  17   3.362   5.060  10.497
  144   HH21  ARG  17          1HH2      ARG  17   0.099   6.483  10.226
  145   HH22  ARG  17          2HH2      ARG  17   1.761   6.825  10.176
  146    H    ALA  18           H        ALA  18   0.466   1.141   6.150
  147    HA   ALA  18           HA       ALA  18   3.175   1.276   5.374
  148    HB1  ALA  18           1HB      ALA  18   1.783  -0.688   4.918
  149    HB2  ALA  18           2HB      ALA  18   2.514  -0.066   3.436
  150    HB3  ALA  18           3HB      ALA  18   0.817   0.260   3.787
  151    H    GLN  19           H        GLN  19   0.246   2.611   3.927
  152    HA   GLN  19           HA       GLN  19   1.190   3.828   1.680
  153    HB2  GLN  19           2HB      GLN  19  -0.936   4.499   3.623
  154    HB3  GLN  19           1HB      GLN  19  -0.739   5.530   2.239
  155    HG2  GLN  19           2HG      GLN  19  -1.097   3.606   0.786
  156    HG3  GLN  19           1HG      GLN  19  -1.213   2.545   2.196
  157   HE21  GLN  19          1HE2      GLN  19  -3.132   2.877   0.145
  158   HE22  GLN  19          2HE2      GLN  19  -4.558   3.518   0.914
  159    H    ILE  20           H        ILE  20   0.711   5.353   4.839
  160    HA   ILE  20           HA       ILE  20   1.874   7.841   4.289
  161    HB   ILE  20           HB       ILE  20   1.577   6.436   6.958
  162   HG12  ILE  20          2HG1      ILE  20  -0.077   8.591   5.631
  163   HG13  ILE  20          1HG1      ILE  20  -0.510   6.890   5.737
  164   HG21  ILE  20          1HG2      ILE  20   1.852   8.645   8.013
  165   HG22  ILE  20          2HG2      ILE  20   2.231   9.349   6.442
  166   HG23  ILE  20          3HG2      ILE  20   3.313   8.154   7.156
  167   HD11  ILE  20          3HD1      ILE  20  -0.601   7.073   8.162
  168   HD12  ILE  20          1HD1      ILE  20  -1.692   8.220   7.380
  169   HD13  ILE  20          2HD1      ILE  20  -0.151   8.773   8.040
  170    H    ALA  21           H        ALA  21   3.366   4.882   5.494
  171    HA   ALA  21           HA       ALA  21   5.912   5.968   6.023
  172    HB1  ALA  21           1HB      ALA  21   5.211   3.773   6.854
  173    HB2  ALA  21           2HB      ALA  21   6.709   3.654   5.927
  174    HB3  ALA  21           3HB      ALA  21   5.181   3.158   5.202
  175    H    ILE  22           H        ILE  22   4.403   4.705   3.155
  176    HA   ILE  22           HA       ILE  22   6.682   4.791   1.450
  177    HB   ILE  22           HB       ILE  22   3.760   5.030   0.698
  178   HG12  ILE  22          2HG1      ILE  22   5.504   2.556   0.871
  179   HG13  ILE  22          1HG1      ILE  22   4.205   2.982   1.959
  180   HG21  ILE  22          1HG2      ILE  22   5.234   5.767  -1.079
  181   HG22  ILE  22          2HG2      ILE  22   4.473   4.233  -1.502
  182   HG23  ILE  22          3HG2      ILE  22   6.153   4.263  -0.968
  183   HD11  ILE  22          3HD1      ILE  22   3.472   1.299   0.374
  184   HD12  ILE  22          1HD1      ILE  22   3.871   2.374  -0.967
  185   HD13  ILE  22          2HD1      ILE  22   2.584   2.807   0.156
  186    H    CYS  23           H        CYS  23   3.988   6.984   2.069
  187    HA   CYS  23           HA       CYS  23   4.798   8.853   0.089
  188    HB2  CYS  23           2HB      CYS  23   2.749   8.824   2.220
  189    HB3  CYS  23           1HB      CYS  23   3.041  10.259   1.242
  190    H    GLY  24           H        GLY  24   5.408   8.583   3.408
  191    HA2  GLY  24           2HA      GLY  24   6.563  11.239   3.585
  192    HA3  GLY  24           1HA      GLY  24   6.629  10.024   4.852
  193    H    MET  25           H        MET  25   7.570   8.420   2.224
  194    HA   MET  25           HA       MET  25  10.379   9.242   2.333
  195    HB2  MET  25           2HB      MET  25   9.303   6.422   2.625
  196    HB3  MET  25           1HB      MET  25  10.991   6.790   2.307
  197    HG2  MET  25           2HG      MET  25  11.165   7.953   4.420
  198    HG3  MET  25           1HG      MET  25   9.449   7.687   4.729
  199    HE1  MET  25           3HE      MET  25  10.107   6.695   7.133
  200    HE2  MET  25           1HE      MET  25  11.811   6.971   6.765
  201    HE3  MET  25           2HE      MET  25  11.279   5.396   7.354
  202    H    SER  26           H        SER  26   8.391   9.841   0.428
  203    HA   SER  26           HA       SER  26   8.650   7.968  -1.708
  204    HB2  SER  26           2HB      SER  26   7.171  10.589  -1.534
  205    HB3  SER  26           1HB      SER  26   7.246   9.613  -2.998
  206    HG   SER  26           HG       SER  26   6.555   8.217  -0.723
  207    H    THR  27           H        THR  27  10.853   8.141  -1.662
  208    HA   THR  27           HA       THR  27  12.141  10.346  -2.996
  209    HB   THR  27           HB       THR  27  13.185   7.520  -2.722
  210    HG1  THR  27           1HG      THR  27  12.534   9.255  -0.796
  211   HG21  THR  27          3HG2      THR  27  14.498   9.000  -4.204
  212   HG22  THR  27          1HG2      THR  27  15.395   8.611  -2.735
  213   HG23  THR  27          2HG2      THR  27  14.620  10.185  -2.902
  214    H    TRP  28           H        TRP  28  10.695   7.509  -3.747
  215    HA   TRP  28           HA       TRP  28  11.190   7.805  -6.635
  216    HB2  TRP  28           2HB      TRP  28  10.501   5.239  -5.178
  217    HB3  TRP  28           1HB      TRP  28  10.819   5.395  -6.900
  218    HD1  TRP  28           HD       TRP  28  12.512   4.738  -3.656
  219    HE1  TRP  28           1HE      TRP  28  15.045   4.562  -3.974
  220    HE3  TRP  28           3HE      TRP  28  12.837   6.590  -8.411
  221    HZ2  TRP  28           2HZ      TRP  28  16.953   5.161  -5.980
  222    HZ3  TRP  28           3HZ      TRP  28  15.060   6.761  -9.453
  223    HH2  TRP  28           HH       TRP  28  17.071   6.063  -8.263
  224    H    SER  29           H        SER  29   9.484   8.973  -7.253
  225    HA   SER  29           HA       SER  29   6.824   7.898  -6.668
  226    HB2  SER  29           2HB      SER  29   7.626  10.799  -7.013
  227    HB3  SER  29           1HB      SER  29   5.974  10.220  -6.789
  228    HG   SER  29           HG       SER  29   6.846   9.212  -4.837
  229    HN1  NH2  30           HT1      SER  29   6.814   6.687  -8.530
  230    HN2  NH2  30           HT2      SER  29   6.785   7.362 -10.119
  231    HA   PCA   1           HA       PCA   1 -14.132   4.329  -5.327
  232    HB2  PCA   1           2HB      PCA   1 -15.096   1.718  -5.967
  233    HB3  PCA   1           1HB      PCA   1 -16.077   3.100  -5.400
  234    HG2  PCA   1           2HG      PCA   1 -16.057   1.921  -8.019
  235    HG3  PCA   1           1HG      PCA   1 -16.933   3.404  -7.505
  236    H    LEU   2           H        LEU   2 -12.017   4.121  -7.136
  237    HA   LEU   2           HA       LEU   2 -10.758   1.474  -6.912
  238    HB2  LEU   2           2HB      LEU   2 -10.490   3.004  -8.929
  239    HB3  LEU   2           1HB      LEU   2  -9.523   4.028  -7.904
  240    HG   LEU   2           HG       LEU   2  -7.813   2.316  -7.709
  241   HD11  LEU   2          1HD1      LEU   2  -9.660   0.618  -9.395
  242   HD12  LEU   2          2HD1      LEU   2  -9.201   0.313  -7.715
  243   HD13  LEU   2          3HD1      LEU   2  -7.992   0.223  -8.991
  244   HD21  LEU   2          3HD2      LEU   2  -7.751   3.815  -9.637
  245   HD22  LEU   2          1HD2      LEU   2  -8.729   2.673 -10.558
  246   HD23  LEU   2          2HD2      LEU   2  -7.104   2.222 -10.039
  247    H    TYR   3           H        TYR   3 -10.736   4.245  -5.020
  248    HA   TYR   3           HA       TYR   3  -8.369   3.332  -3.758
  249    HB2  TYR   3           2HB      TYR   3  -9.043   5.710  -3.656
  250    HB3  TYR   3           1HB      TYR   3 -10.399   5.249  -2.608
  251    HD1  TYR   3           2HD      TYR   3  -6.831   4.628  -2.979
  252    HD2  TYR   3           1HD      TYR   3 -10.042   5.353  -0.337
  253    HE1  TYR   3           2HE      TYR   3  -5.314   4.477  -1.205
  254    HE2  TYR   3           1HE      TYR   3  -8.528   5.207   1.560
  255    HH   TYR   3           HH       TYR   3  -5.196   5.385   1.220
  256    H    SER   4           H        SER   4 -11.801   3.126  -3.099
  257    HA   SER   4           HA       SER   4 -11.625   1.627  -0.725
  258    HB2  SER   4           2HB      SER   4 -13.691   2.810  -1.695
  259    HB3  SER   4           1HB      SER   4 -13.849   1.432  -2.776
  260    HG   SER   4           HG       SER   4 -14.625   0.294  -1.230
  261    H    ALA   5           H        ALA   5 -11.509   0.815  -4.114
  262    HA   ALA   5           HA       ALA   5 -11.685  -1.972  -3.927
  263    HB1  ALA   5           1HB      ALA   5 -11.946  -0.739  -6.043
  264    HB2  ALA   5           2HB      ALA   5 -10.739  -2.022  -6.164
  265    HB3  ALA   5           3HB      ALA   5 -10.227  -0.344  -5.996
  266    H    LEU   6           H        LEU   6  -8.790   0.161  -4.078
  267    HA   LEU   6           HA       LEU   6  -6.809  -1.792  -3.896
  268    HB2  LEU   6           2HB      LEU   6  -6.234   0.559  -4.239
  269    HB3  LEU   6           1HB      LEU   6  -6.832   0.968  -2.642
  270    HG   LEU   6           HG       LEU   6  -5.035  -0.509  -1.684
  271   HD11  LEU   6          1HD1      LEU   6  -3.103  -1.040  -3.070
  272   HD12  LEU   6          2HD1      LEU   6  -3.989  -0.496  -4.495
  273   HD13  LEU   6          3HD1      LEU   6  -4.561  -1.889  -3.578
  274   HD21  LEU   6          3HD2      LEU   6  -4.055   1.832  -3.322
  275   HD22  LEU   6          1HD2      LEU   6  -3.244   1.122  -1.929
  276   HD23  LEU   6          2HD2      LEU   6  -4.793   1.935  -1.723
  277    H    ALA   7           H        ALA   7  -8.573  -0.196  -1.345
  278    HA   ALA   7           HA       ALA   7  -7.375  -1.329   0.888
  279    HB1  ALA   7           1HB      ALA   7  -8.911   0.560   0.988
  280    HB2  ALA   7           2HB      ALA   7  -9.475  -0.740   2.040
  281    HB3  ALA   7           3HB      ALA   7 -10.238  -0.479   0.476
  282    H    ASN   8           H        ASN   8 -10.223  -2.357  -0.897
  283    HA   ASN   8           HA       ASN   8 -10.845  -4.691   0.536
  284    HB2  ASN   8           2HB      ASN   8 -12.414  -3.599  -1.008
  285    HB3  ASN   8           1HB      ASN   8 -11.364  -3.987  -2.360
  286   HD21  ASN   8          1HD2      ASN   8 -12.931  -5.105  -3.410
  287   HD22  ASN   8          2HD2      ASN   8 -13.531  -6.634  -2.901
  288    H    LYS   9           H        LYS   9  -8.993  -4.211  -2.398
  289    HA   LYS   9           HA       LYS   9  -8.392  -6.878  -3.019
  290    HB2  LYS   9           2HB      LYS   9  -6.956  -4.311  -3.641
  291    HB3  LYS   9           1HB      LYS   9  -6.507  -5.851  -4.344
  292    HG2  LYS   9           2HG      LYS   9  -8.580  -6.009  -5.507
  293    HG3  LYS   9           1HG      LYS   9  -9.247  -4.648  -4.610
  294    HD2  LYS   9           2HD      LYS   9  -8.582  -4.013  -6.907
  295    HD3  LYS   9           1HD      LYS   9  -7.694  -3.124  -5.680
  296    HE2  LYS   9           2HE      LYS   9  -6.267  -3.859  -7.543
  297    HE3  LYS   9           1HE      LYS   9  -5.757  -4.540  -6.001
  298    HZ1  LYS   9           3HZ      LYS   9  -5.709  -6.143  -7.788
  299    HZ2  LYS   9           1HZ      LYS   9  -7.357  -5.962  -8.069
  300    HZ3  LYS   9           2HZ      LYS   9  -6.802  -6.618  -6.620
  301    H    CYS  10           H        CYS  10  -6.433  -4.560  -1.195
  302    HA   CYS  10           HA       CYS  10  -4.305  -6.455  -0.861
  303    HB2  CYS  10           2HB      CYS  10  -4.239  -3.862  -0.738
  304    HB3  CYS  10           1HB      CYS  10  -4.804  -4.086   0.906
  305    H    CYS  11           H        CYS  11  -7.219  -5.732   0.816
  306    HA   CYS  11           HA       CYS  11  -6.529  -6.945   3.295
  307    HB2  CYS  11           2HB      CYS  11  -8.258  -5.142   2.811
  308    HB3  CYS  11           1HB      CYS  11  -9.281  -6.406   2.172
  309    H    HIS  12           H        HIS  12  -7.776  -8.028   0.222
  310    HA   HIS  12           HA       HIS  12  -8.419 -10.632   1.391
  311    HB2  HIS  12           2HB      HIS  12  -9.213  -9.383  -1.210
  312    HB3  HIS  12           1HB      HIS  12  -9.432 -11.101  -0.916
  313    HD1  HIS  12           1HD      HIS  12 -11.737 -11.621   0.019
  314    HD2  HIS  12           2HD      HIS  12 -10.433  -7.818   0.955
  315    HE1  HIS  12           1HE      HIS  12 -13.616 -10.559   1.310
  316    H    VAL  13           H        VAL  13  -6.757  -9.438  -1.490
  317    HA   VAL  13           HA       VAL  13  -5.300 -11.973  -1.490
  318    HB   VAL  13           HB       VAL  13  -4.666 -11.417  -3.821
  319   HG11  VAL  13          1HG1      VAL  13  -7.627 -11.635  -3.189
  320   HG12  VAL  13          2HG1      VAL  13  -6.506 -12.992  -3.324
  321   HG13  VAL  13          3HG1      VAL  13  -6.929 -12.044  -4.756
  322   HG21  VAL  13          3HG2      VAL  13  -5.054  -9.038  -3.857
  323   HG22  VAL  13          1HG2      VAL  13  -6.773  -9.276  -3.548
  324   HG23  VAL  13          2HG2      VAL  13  -6.073  -9.805  -5.078
  325    H    GLY  14           H        GLY  14  -4.787  -8.574  -1.914
  326    HA2  GLY  14           2HA      GLY  14  -2.866  -7.886  -0.314
  327    HA3  GLY  14           1HA      GLY  14  -1.914  -8.919  -1.347
  328    H    CYS  15           H        CYS  15  -0.988  -6.515  -1.299
  329    HA   CYS  15           HA       CYS  15  -1.831  -5.384  -3.847
  330    HB2  CYS  15           2HB      CYS  15  -1.704  -3.119  -2.888
  331    HB3  CYS  15           1HB      CYS  15  -3.058  -4.073  -2.317
  332    H    THR  16           H        THR  16  -0.267  -4.030  -4.833
  333    HA   THR  16           HA       THR  16   2.400  -4.704  -4.056
  334    HB   THR  16           HB       THR  16   2.897  -3.495  -6.284
  335    HG1  THR  16           1HG      THR  16   0.800  -3.784  -7.610
  336   HG21  THR  16          3HG2      THR  16   2.968  -5.934  -6.047
  337   HG22  THR  16          1HG2      THR  16   2.277  -5.473  -7.602
  338   HG23  THR  16          2HG2      THR  16   1.222  -6.012  -6.295
  339    H    LYS  17           H        LYS  17   3.891  -3.192  -3.708
  340    HA   LYS  17           HA       LYS  17   3.113  -1.079  -1.932
  341    HB2  LYS  17           2HB      LYS  17   5.238  -2.539  -2.187
  342    HB3  LYS  17           1HB      LYS  17   5.865  -1.246  -3.176
  343    HG2  LYS  17           2HG      LYS  17   6.656  -1.030  -0.973
  344    HG3  LYS  17           1HG      LYS  17   5.476   0.280  -1.223
  345    HD2  LYS  17           2HD      LYS  17   3.795  -0.990  -0.005
  346    HD3  LYS  17           1HD      LYS  17   4.884  -2.372   0.106
  347    HE2  LYS  17           2HE      LYS  17   5.310   0.328   1.377
  348    HE3  LYS  17           1HE      LYS  17   4.765  -1.128   2.205
  349    HZ1  LYS  17           3HZ      LYS  17   6.891  -2.180   1.487
  350    HZ2  LYS  17           1HZ      LYS  17   7.076  -0.899   2.580
  351    HZ3  LYS  17           2HZ      LYS  17   7.411  -0.667   0.948
  352    H    ARG  18           H        ARG  18   4.230  -0.789  -5.304
  353    HA   ARG  18           HA       ARG  18   3.965   2.038  -5.208
  354    HB2  ARG  18           2HB      ARG  18   4.129   0.129  -7.514
  355    HB3  ARG  18           1HB      ARG  18   3.785   1.826  -7.772
  356    HG2  ARG  18           2HG      ARG  18   6.219   0.812  -6.333
  357    HG3  ARG  18           1HG      ARG  18   6.183   1.218  -8.050
  358    HD2  ARG  18           2HD      ARG  18   5.654   3.102  -5.738
  359    HD3  ARG  18           1HD      ARG  18   7.067   3.091  -6.791
  360    HE   ARG  18           HE       ARG  18   5.085   3.354  -8.541
  361   HH11  ARG  18          1HH1      ARG  18   5.970   5.265  -5.666
  362   HH12  ARG  18          2HH1      ARG  18   5.108   6.637  -6.139
  363   HH21  ARG  18          1HH2      ARG  18   3.940   5.290  -9.225
  364   HH22  ARG  18          2HH2      ARG  18   3.955   6.664  -8.209
  365    H    SER  19           H        SER  19   1.674  -0.428  -5.424
  366    HA   SER  19           HA       SER  19  -0.342   1.068  -6.762
  367    HB2  SER  19           2HB      SER  19  -0.257  -1.419  -6.755
  368    HB3  SER  19           1HB      SER  19  -0.585  -1.439  -5.040
  369    HG   SER  19           HG       SER  19  -2.277  -0.415  -7.086
  370    H    LEU  20           H        LEU  20   0.558   0.385  -3.395
  371    HA   LEU  20           HA       LEU  20  -1.594   2.029  -2.407
  372    HB2  LEU  20           2HB      LEU  20   0.864   1.717  -0.626
  373    HB3  LEU  20           1HB      LEU  20  -0.741   2.005  -0.250
  374    HG   LEU  20           HG       LEU  20  -1.365  -0.338  -0.923
  375   HD11  LEU  20          1HD1      LEU  20   0.388  -1.970  -0.809
  376   HD12  LEU  20          2HD1      LEU  20   1.589  -0.694  -0.627
  377   HD13  LEU  20          3HD1      LEU  20   0.691  -0.855  -2.141
  378   HD21  LEU  20          3HD2      LEU  20   0.477   0.118   1.401
  379   HD22  LEU  20          1HD2      LEU  20  -0.674  -1.205   1.240
  380   HD23  LEU  20          2HD2      LEU  20  -1.260   0.456   1.380
  381    H    ALA  21           H        ALA  21   1.629   2.466  -3.267
  382    HA   ALA  21           HA       ALA  21   2.110   5.066  -2.306
  383    HB1  ALA  21           1HB      ALA  21   3.225   3.968  -4.864
  384    HB2  ALA  21           2HB      ALA  21   3.815   3.522  -3.273
  385    HB3  ALA  21           3HB      ALA  21   3.947   5.197  -3.826
  386    H    ARG  22           H        ARG  22   0.485   4.062  -5.251
  387    HA   ARG  22           HA       ARG  22   0.482   6.745  -6.310
  388    HB2  ARG  22           2HB      ARG  22  -0.752   5.855  -8.215
  389    HB3  ARG  22           1HB      ARG  22   0.658   4.873  -7.859
  390    HG2  ARG  22           2HG      ARG  22  -0.732   3.198  -6.824
  391    HG3  ARG  22           1HG      ARG  22  -2.159   4.210  -7.049
  392    HD2  ARG  22           2HD      ARG  22  -0.435   3.089  -9.249
  393    HD3  ARG  22           1HD      ARG  22  -2.014   2.468  -8.757
  394    HE   ARG  22           HE       ARG  22  -2.315   5.159  -9.347
  395   HH11  ARG  22          1HH1      ARG  22  -1.556   2.173 -11.053
  396   HH12  ARG  22          2HH1      ARG  22  -2.125   2.703 -12.567
  397   HH21  ARG  22          1HH2      ARG  22  -3.119   5.927 -11.403
  398   HH22  ARG  22          2HH2      ARG  22  -3.061   4.923 -12.772
  399    H    PHE  23           H        PHE  23  -1.365   5.285  -4.029
  400    HA   PHE  23           HA       PHE  23  -3.546   7.182  -4.557
  401    HB2  PHE  23           2HB      PHE  23  -3.744   4.488  -3.200
  402    HB3  PHE  23           1HB      PHE  23  -5.029   5.691  -3.201
  403    HD1  PHE  23           2HD      PHE  23  -5.956   6.438  -5.439
  404    HD2  PHE  23           1HD      PHE  23  -3.525   2.985  -4.963
  405    HE1  PHE  23           2HE      PHE  23  -6.761   5.576  -7.594
  406    HE2  PHE  23           1HE      PHE  23  -4.323   2.118  -7.112
  407    HZ   PHE  23           HZ       PHE  23  -5.939   3.412  -8.430
  408    H    CYS  24           H        CYS  24  -2.309   5.322  -1.934
  409    HA   CYS  24           HA       CYS  24  -1.655   5.793   0.174
  410    HB2  CYS  24           2HB      CYS  24  -0.035   7.047  -1.268
  411    HB3  CYS  24           1HB      CYS  24  -0.999   8.483  -1.040
  412    HN1  NH2  25           HT1      CYS  24  -2.180   9.165   0.268
  413    HN2  NH2  25           HT2      CYS  24  -3.739   9.155   1.013
  Start of MODEL    6
    1    H1   ASP   1           1HT      ASP   1  11.097  -5.186   2.502
    2    H2   ASP   1           2HT      ASP   1  11.797  -5.313   0.970
    3    H3   ASP   1           3HT      ASP   1  10.451  -4.347   1.211
    4    HA   ASP   1           HA       ASP   1  11.595  -2.799   2.563
    5    HB2  ASP   1           2HB      ASP   1  13.167  -4.574   3.517
    6    HB3  ASP   1           1HB      ASP   1  14.085  -4.427   2.032
    7    H    SER   2           H        SER   2  12.978  -4.468  -0.206
    8    HA   SER   2           HA       SER   2  14.050  -2.153  -1.404
    9    HB2  SER   2           2HB      SER   2  13.131  -4.623  -2.787
   10    HB3  SER   2           1HB      SER   2  14.464  -3.576  -3.251
   11    HG   SER   2           HG       SER   2  15.347  -4.162  -1.083
   12    H    TRP   3           H        TRP   3  13.149  -0.842  -2.807
   13    HA   TRP   3           HA       TRP   3  10.277  -0.602  -2.515
   14    HB2  TRP   3           2HB      TRP   3  12.254   1.445  -3.498
   15    HB3  TRP   3           1HB      TRP   3  10.534   1.731  -3.234
   16    HD1  TRP   3           HD       TRP   3  13.753   1.964  -1.521
   17    HE1  TRP   3           1HE      TRP   3  13.447   2.298   1.004
   18    HE3  TRP   3           3HE      TRP   3   8.788   0.773  -1.158
   19    HZ2  TRP   3           2HZ      TRP   3  11.352   2.061   2.911
   20    HZ3  TRP   3           3HZ      TRP   3   7.745   0.790   1.018
   21    HH2  TRP   3           HH       TRP   3   8.984   1.445   3.032
   22    H    MET   4           H        MET   4  12.226  -1.791  -4.833
   23    HA   MET   4           HA       MET   4  10.988  -0.778  -7.152
   24    HB2  MET   4           2HB      MET   4  13.169  -1.916  -7.223
   25    HB3  MET   4           1HB      MET   4  12.385  -3.428  -6.796
   26    HG2  MET   4           2HG      MET   4  12.843  -3.339  -9.172
   27    HG3  MET   4           1HG      MET   4  11.108  -3.372  -8.858
   28    HE1  MET   4           3HE      MET   4  13.436   0.410 -10.160
   29    HE2  MET   4           1HE      MET   4  14.167  -1.186  -9.994
   30    HE3  MET   4           2HE      MET   4  13.619  -0.314  -8.562
   31    H    GLU   5           H        GLU   5  10.261  -3.569  -5.136
   32    HA   GLU   5           HA       GLU   5   7.829  -3.908  -6.769
   33    HB2  GLU   5           2HB      GLU   5   9.376  -6.056  -5.314
   34    HB3  GLU   5           1HB      GLU   5   7.804  -6.298  -6.050
   35    HG2  GLU   5           2HG      GLU   5  10.240  -5.405  -7.561
   36    HG3  GLU   5           1HG      GLU   5   9.751  -7.089  -7.389
   37    H    GLU   6           H        GLU   6   8.492  -5.524  -3.745
   38    HA   GLU   6           HA       GLU   6   7.478  -5.658  -1.762
   39    HB2  GLU   6           2HB      GLU   6   6.675  -2.834  -2.345
   40    HB3  GLU   6           1HB      GLU   6   6.371  -3.628  -0.809
   41    HG2  GLU   6           2HG      GLU   6   9.051  -3.111  -2.048
   42    HG3  GLU   6           1HG      GLU   6   8.312  -2.171  -0.752
   43    H    VAL   7           H        VAL   7   5.805  -6.824  -1.326
   44    HA   VAL   7           HA       VAL   7   3.217  -6.009  -2.357
   45    HB   VAL   7           HB       VAL   7   3.881  -7.813  -3.884
   46   HG11  VAL   7          1HG1      VAL   7   4.290 -10.100  -3.125
   47   HG12  VAL   7          2HG1      VAL   7   4.237  -9.546  -1.450
   48   HG13  VAL   7          3HG1      VAL   7   5.509  -8.973  -2.529
   49   HG21  VAL   7          3HG2      VAL   7   1.510  -7.705  -3.314
   50   HG22  VAL   7          1HG2      VAL   7   1.769  -8.751  -1.925
   51   HG23  VAL   7          2HG2      VAL   7   1.990  -9.382  -3.553
   52    H    ILE   8           H        ILE   8   1.737  -5.897  -0.880
   53    HA   ILE   8           HA       ILE   8   2.355  -7.221   1.657
   54    HB   ILE   8           HB       ILE   8   1.429  -5.369   2.900
   55   HG12  ILE   8          2HG1      ILE   8   1.026  -4.071   0.215
   56   HG13  ILE   8          1HG1      ILE   8  -0.238  -4.637   1.277
   57   HG21  ILE   8          1HG2      ILE   8   3.505  -4.437   0.923
   58   HG22  ILE   8          2HG2      ILE   8   3.804  -5.276   2.445
   59   HG23  ILE   8          3HG2      ILE   8   3.127  -3.647   2.454
   60   HD11  ILE   8          3HD1      ILE   8   1.649  -2.374   1.903
   61   HD12  ILE   8          1HD1      ILE   8   0.367  -2.972   2.955
   62   HD13  ILE   8          2HD1      ILE   8  -0.038  -2.214   1.415
   63    H    LYS   9           H        LYS   9   0.536  -7.464   3.000
   64    HA   LYS   9           HA       LYS   9  -2.042  -7.727   1.666
   65    HB2  LYS   9           2HB      LYS   9  -0.690  -9.997   3.157
   66    HB3  LYS   9           1HB      LYS   9  -2.370 -10.001   2.639
   67    HG2  LYS   9           2HG      LYS   9  -1.671  -9.882   0.314
   68    HG3  LYS   9           1HG      LYS   9   0.020  -9.826   0.808
   69    HD2  LYS   9           2HD      LYS   9  -0.571 -12.050   0.090
   70    HD3  LYS   9           1HD      LYS   9  -0.243 -12.060   1.824
   71    HE2  LYS   9           2HE      LYS   9  -2.665 -11.991   2.256
   72    HE3  LYS   9           1HE      LYS   9  -2.966 -11.992   0.519
   73    HZ1  LYS   9           3HZ      LYS   9  -1.951 -14.174   0.385
   74    HZ2  LYS   9           1HZ      LYS   9  -3.218 -14.154   1.485
   75    HZ3  LYS   9           2HZ      LYS   9  -1.629 -14.154   2.049
   76    H    LEU  10           H        LEU  10  -1.973  -5.796   3.112
   77    HA   LEU  10           HA       LEU  10  -2.449  -6.383   5.964
   78    HB2  LEU  10           2HB      LEU  10  -1.515  -3.961   4.491
   79    HB3  LEU  10           1HB      LEU  10  -2.372  -3.770   5.987
   80    HG   LEU  10           HG       LEU  10  -0.707  -4.849   7.245
   81   HD11  LEU  10          1HD1      LEU  10   0.698  -5.488   4.650
   82   HD12  LEU  10          2HD1      LEU  10  -0.087  -6.658   5.708
   83   HD13  LEU  10          3HD1      LEU  10   1.353  -5.797   6.257
   84   HD21  LEU  10          3HD2      LEU  10   1.241  -3.447   6.856
   85   HD22  LEU  10          1HD2      LEU  10  -0.247  -2.524   6.658
   86   HD23  LEU  10          2HD2      LEU  10   0.652  -3.064   5.243
   87    H    CYS  11           H        CYS  11  -3.956  -4.687   6.880
   88    HA   CYS  11           HA       CYS  11  -6.251  -4.191   5.158
   89    HB2  CYS  11           2HB      CYS  11  -6.546  -5.889   7.634
   90    HB3  CYS  11           1HB      CYS  11  -7.830  -5.314   6.580
   91    H    GLY  12           H        GLY  12  -7.935  -2.960   6.323
   92    HA2  GLY  12           2HA      GLY  12  -8.627  -1.178   7.600
   93    HA3  GLY  12           1HA      GLY  12  -7.872  -2.045   8.905
   94    H    ARG  13           H        ARG  13  -6.804  -0.702  10.027
   95    HA   ARG  13           HA       ARG  13  -5.692   1.672   8.916
   96    HB2  ARG  13           2HB      ARG  13  -4.966   2.287  11.158
   97    HB3  ARG  13           1HB      ARG  13  -6.632   1.750  11.177
   98    HG2  ARG  13           2HG      ARG  13  -5.997  -0.351  12.140
   99    HG3  ARG  13           1HG      ARG  13  -4.283   0.056  11.993
  100    HD2  ARG  13           2HD      ARG  13  -5.002   0.407  14.265
  101    HD3  ARG  13           1HD      ARG  13  -4.665   1.963  13.516
  102    HE   ARG  13           HE       ARG  13  -7.403   1.347  13.241
  103   HH11  ARG  13          1HH1      ARG  13  -5.069   2.478  15.616
  104   HH12  ARG  13          2HH1      ARG  13  -6.240   3.109  16.676
  105   HH21  ARG  13          1HH2      ARG  13  -8.997   2.263  14.640
  106   HH22  ARG  13          2HH2      ARG  13  -8.532   3.005  16.104
  107    H    GLU  14           H        GLU  14  -4.495  -1.501   9.120
  108    HA   GLU  14           HA       GLU  14  -1.758  -0.745   9.273
  109    HB2  GLU  14           2HB      GLU  14  -3.096  -3.275   8.282
  110    HB3  GLU  14           1HB      GLU  14  -1.363  -3.044   8.242
  111    HG2  GLU  14           2HG      GLU  14  -1.770  -4.344  10.138
  112    HG3  GLU  14           1HG      GLU  14  -1.505  -2.723  10.757
  113    H    LEU  15           H        LEU  15  -4.159  -1.191   6.825
  114    HA   LEU  15           HA       LEU  15  -2.505  -0.854   4.535
  115    HB2  LEU  15           2HB      LEU  15  -5.385  -0.095   4.977
  116    HB3  LEU  15           1HB      LEU  15  -4.579  -0.010   3.426
  117    HG   LEU  15           HG       LEU  15  -4.893  -2.553   4.989
  118   HD11  LEU  15          1HD1      LEU  15  -6.577  -1.408   2.771
  119   HD12  LEU  15          2HD1      LEU  15  -7.082  -1.686   4.444
  120   HD13  LEU  15          3HD1      LEU  15  -6.699  -3.050   3.400
  121   HD21  LEU  15          3HD2      LEU  15  -3.092  -2.552   3.363
  122   HD22  LEU  15          1HD2      LEU  15  -4.217  -2.006   2.104
  123   HD23  LEU  15          2HD2      LEU  15  -4.434  -3.585   2.882
  124    H    VAL  16           H        VAL  16  -4.262   1.377   6.584
  125    HA   VAL  16           HA       VAL  16  -3.503   3.755   5.196
  126    HB   VAL  16           HB       VAL  16  -4.183   3.492   8.148
  127   HG11  VAL  16          1HG1      VAL  16  -4.380   5.865   6.295
  128   HG12  VAL  16          2HG1      VAL  16  -3.201   5.647   7.587
  129   HG13  VAL  16          3HG1      VAL  16  -4.911   5.828   7.977
  130   HG21  VAL  16          3HG2      VAL  16  -6.034   3.968   5.816
  131   HG22  VAL  16          1HG2      VAL  16  -6.491   4.004   7.517
  132   HG23  VAL  16          2HG2      VAL  16  -5.941   2.496   6.782
  133    H    ARG  17           H        ARG  17  -2.071   2.026   7.915
  134    HA   ARG  17           HA       ARG  17   0.059   3.667   8.626
  135    HB2  ARG  17           2HB      ARG  17  -0.673   1.394   9.587
  136    HB3  ARG  17           1HB      ARG  17   0.187   0.690   8.279
  137    HG2  ARG  17           2HG      ARG  17   1.601   0.610  10.228
  138    HG3  ARG  17           1HG      ARG  17   2.301   1.664   9.002
  139    HD2  ARG  17           2HD      ARG  17   1.416   3.617  10.217
  140    HD3  ARG  17           1HD      ARG  17   0.773   2.536  11.449
  141    HE   ARG  17           HE       ARG  17   3.403   1.893  11.312
  142   HH11  ARG  17          1HH1      ARG  17   1.658   4.902  11.951
  143   HH12  ARG  17          2HH1      ARG  17   2.891   5.583  12.900
  144   HH21  ARG  17          1HH2      ARG  17   5.064   2.791  12.582
  145   HH22  ARG  17          2HH2      ARG  17   4.903   4.334  13.298
  146    H    ALA  18           H        ALA  18   0.023   0.995   6.485
  147    HA   ALA  18           HA       ALA  18   2.522   1.186   5.246
  148    HB1  ALA  18           1HB      ALA  18   1.145  -0.793   5.073
  149    HB2  ALA  18           2HB      ALA  18   1.522  -0.216   3.442
  150    HB3  ALA  18           3HB      ALA  18  -0.054   0.094   4.147
  151    H    GLN  19           H        GLN  19  -0.575   2.518   4.188
  152    HA   GLN  19           HA       GLN  19   0.297   3.611   1.781
  153    HB2  GLN  19           2HB      GLN  19  -1.976   4.046   3.584
  154    HB3  GLN  19           1HB      GLN  19  -1.806   5.225   2.331
  155    HG2  GLN  19           2HG      GLN  19  -1.708   3.143   0.785
  156    HG3  GLN  19           1HG      GLN  19  -2.329   2.283   2.196
  157   HE21  GLN  19          1HE2      GLN  19  -2.952   4.605  -0.227
  158   HE22  GLN  19          2HE2      GLN  19  -4.665   4.696  -0.002
  159    H    ILE  20           H        ILE  20  -0.298   5.241   4.899
  160    HA   ILE  20           HA       ILE  20   0.581   7.787   4.119
  161    HB   ILE  20           HB       ILE  20   0.742   6.539   6.882
  162   HG12  ILE  20          2HG1      ILE  20  -1.550   6.637   6.040
  163   HG13  ILE  20          1HG1      ILE  20  -1.332   7.783   7.354
  164   HG21  ILE  20          1HG2      ILE  20   0.967   9.441   6.104
  165   HG22  ILE  20          2HG2      ILE  20   2.249   8.428   6.772
  166   HG23  ILE  20          3HG2      ILE  20   0.846   8.841   7.758
  167   HD11  ILE  20          3HD1      ILE  20  -1.155   9.600   5.706
  168   HD12  ILE  20          1HD1      ILE  20  -2.688   8.736   5.593
  169   HD13  ILE  20          2HD1      ILE  20  -1.419   8.431   4.411
  170    H    ALA  21           H        ALA  21   2.372   5.045   5.316
  171    HA   ALA  21           HA       ALA  21   4.872   6.301   5.529
  172    HB1  ALA  21           1HB      ALA  21   4.329   4.150   6.561
  173    HB2  ALA  21           2HB      ALA  21   5.779   4.060   5.561
  174    HB3  ALA  21           3HB      ALA  21   4.249   3.417   4.961
  175    H    ILE  22           H        ILE  22   3.397   4.405   2.903
  176    HA   ILE  22           HA       ILE  22   5.622   4.698   1.177
  177    HB   ILE  22           HB       ILE  22   3.716   2.849   1.001
  178   HG12  ILE  22          2HG1      ILE  22   3.990   2.617  -1.391
  179   HG13  ILE  22          1HG1      ILE  22   4.464   4.302  -1.536
  180   HG21  ILE  22          1HG2      ILE  22   2.356   4.961  -0.554
  181   HG22  ILE  22          2HG2      ILE  22   1.896   4.393   1.038
  182   HG23  ILE  22          3HG2      ILE  22   1.864   3.277  -0.339
  183   HD11  ILE  22          3HD1      ILE  22   6.043   2.175  -0.112
  184   HD12  ILE  22          1HD1      ILE  22   6.530   3.848  -0.382
  185   HD13  ILE  22          2HD1      ILE  22   6.329   2.762  -1.754
  186    H    CYS  23           H        CYS  23   2.806   6.632   1.818
  187    HA   CYS  23           HA       CYS  23   2.884   8.170  -0.588
  188    HB2  CYS  23           2HB      CYS  23   0.912   7.744   1.074
  189    HB3  CYS  23           1HB      CYS  23   1.589   9.097   1.966
  190    H    GLY  24           H        GLY  24   4.464   8.300   2.466
  191    HA2  GLY  24           2HA      GLY  24   5.387  11.014   1.957
  192    HA3  GLY  24           1HA      GLY  24   5.637  10.092   3.434
  193    H    MET  25           H        MET  25   6.321   7.899   1.137
  194    HA   MET  25           HA       MET  25   8.856   8.693   0.263
  195    HB2  MET  25           2HB      MET  25   9.432   8.415   2.649
  196    HB3  MET  25           1HB      MET  25   8.804   6.777   2.603
  197    HG2  MET  25           2HG      MET  25  11.250   6.837   2.495
  198    HG3  MET  25           1HG      MET  25  10.536   6.106   1.059
  199    HE1  MET  25           3HE      MET  25  12.277  10.397   1.157
  200    HE2  MET  25           1HE      MET  25  12.247   9.327   2.558
  201    HE3  MET  25           2HE      MET  25  10.740   9.985   1.913
  202    H    SER  26           H        SER  26   8.000   7.950  -1.581
  203    HA   SER  26           HA       SER  26   7.436   5.092  -1.868
  204    HB2  SER  26           2HB      SER  26   7.312   7.245  -3.997
  205    HB3  SER  26           1HB      SER  26   6.603   5.635  -4.081
  206    HG   SER  26           HG       SER  26   5.609   6.725  -1.926
  207    H    THR  27           H        THR  27  10.055   6.880  -1.777
  208    HA   THR  27           HA       THR  27  11.342   5.638  -4.020
  209    HB   THR  27           HB       THR  27  12.964   7.629  -3.688
  210    HG1  THR  27           1HG      THR  27  12.362   8.710  -1.948
  211   HG21  THR  27          3HG2      THR  27  10.151   8.075  -4.696
  212   HG22  THR  27          1HG2      THR  27  11.482   7.381  -5.622
  213   HG23  THR  27          2HG2      THR  27  11.551   9.067  -5.101
  214    H    TRP  28           H        TRP  28  13.838   6.109  -3.327
  215    HA   TRP  28           HA       TRP  28  14.135   3.869  -1.549
  216    HB2  TRP  28           2HB      TRP  28  16.106   5.094  -3.456
  217    HB3  TRP  28           1HB      TRP  28  16.482   3.730  -2.402
  218    HD1  TRP  28           HD       TRP  28  15.518   1.378  -3.050
  219    HE1  TRP  28           1HE      TRP  28  14.318   0.465  -5.123
  220    HE3  TRP  28           3HE      TRP  28  14.411   5.803  -5.372
  221    HZ2  TRP  28           2HZ      TRP  28  13.062   1.471  -7.439
  222    HZ3  TRP  28           3HZ      TRP  28  13.204   5.733  -7.515
  223    HH2  TRP  28           HH       TRP  28  12.545   3.612  -8.526
  224    H    SER  29           H        SER  29  13.755   4.774   0.353
  225    HA   SER  29           HA       SER  29  16.184   5.601   1.667
  226    HB2  SER  29           2HB      SER  29  13.599   7.164   1.937
  227    HB3  SER  29           1HB      SER  29  15.046   7.410   2.919
  228    HG   SER  29           HG       SER  29  15.710   7.392   0.360
  229    HN1  NH2  30           HT1      SER  29  16.298   3.753   2.769
  230    HN2  NH2  30           HT2      SER  29  15.059   3.112   3.783
  231    HA   PCA   1           HA       PCA   1 -13.581   6.162  -4.039
  232    HB2  PCA   1           2HB      PCA   1 -12.116   5.538  -1.634
  233    HB3  PCA   1           1HB      PCA   1 -13.070   7.005  -1.992
  234    HG2  PCA   1           2HG      PCA   1 -13.730   4.931  -0.162
  235    HG3  PCA   1           1HG      PCA   1 -14.818   6.251  -0.714
  236    H    LEU   2           H        LEU   2 -11.423   6.065  -4.748
  237    HA   LEU   2           HA       LEU   2 -10.688   3.506  -5.654
  238    HB2  LEU   2           2HB      LEU   2  -8.625   4.616  -6.579
  239    HB3  LEU   2           1HB      LEU   2 -10.158   5.250  -7.112
  240    HG   LEU   2           HG       LEU   2  -9.818   7.164  -5.483
  241   HD11  LEU   2          1HD1      LEU   2  -7.541   7.662  -4.769
  242   HD12  LEU   2          2HD1      LEU   2  -7.021   6.073  -5.340
  243   HD13  LEU   2          3HD1      LEU   2  -8.169   6.199  -4.012
  244   HD21  LEU   2          3HD2      LEU   2  -8.240   8.327  -6.946
  245   HD22  LEU   2          1HD2      LEU   2  -9.479   7.445  -7.841
  246   HD23  LEU   2          2HD2      LEU   2  -7.846   6.789  -7.714
  247    H    TYR   3           H        TYR   3  -9.669   5.300  -2.904
  248    HA   TYR   3           HA       TYR   3  -7.414   3.678  -2.313
  249    HB2  TYR   3           2HB      TYR   3  -9.124   5.441  -0.586
  250    HB3  TYR   3           1HB      TYR   3  -7.757   4.522   0.023
  251    HD1  TYR   3           2HD      TYR   3  -5.608   4.902  -1.736
  252    HD2  TYR   3           1HD      TYR   3  -8.680   7.691  -0.826
  253    HE1  TYR   3           2HE      TYR   3  -4.124   6.744  -2.381
  254    HE2  TYR   3           1HE      TYR   3  -7.201   9.538  -1.477
  255    HH   TYR   3           HH       TYR   3  -4.281   9.064  -3.160
  256    H    SER   4           H        SER   4 -10.684   3.748  -1.081
  257    HA   SER   4           HA       SER   4 -10.568   1.494   0.532
  258    HB2  SER   4           2HB      SER   4 -12.966   2.567  -0.952
  259    HB3  SER   4           1HB      SER   4 -12.990   1.568   0.506
  260    HG   SER   4           HG       SER   4 -12.995   3.410   1.463
  261    H    ALA   5           H        ALA   5 -11.249   1.743  -2.942
  262    HA   ALA   5           HA       ALA   5 -12.027  -0.899  -3.429
  263    HB1  ALA   5           1HB      ALA   5 -10.420   0.930  -5.219
  264    HB2  ALA   5           2HB      ALA   5 -12.176   0.919  -5.091
  265    HB3  ALA   5           3HB      ALA   5 -11.330  -0.490  -5.738
  266    H    LEU   6           H        LEU   6  -8.821   0.601  -3.613
  267    HA   LEU   6           HA       LEU   6  -7.332  -1.727  -4.119
  268    HB2  LEU   6           2HB      LEU   6  -6.504   0.586  -4.420
  269    HB3  LEU   6           1HB      LEU   6  -6.515   0.804  -2.684
  270    HG   LEU   6           HG       LEU   6  -4.816  -1.019  -2.513
  271   HD11  LEU   6          1HD1      LEU   6  -3.568  -1.633  -4.519
  272   HD12  LEU   6          2HD1      LEU   6  -4.725  -0.744  -5.508
  273   HD13  LEU   6          3HD1      LEU   6  -5.247  -2.163  -4.598
  274   HD21  LEU   6          3HD2      LEU   6  -4.143   1.306  -2.398
  275   HD22  LEU   6          1HD2      LEU   6  -4.101   1.398  -4.159
  276   HD23  LEU   6          2HD2      LEU   6  -2.944   0.383  -3.303
  277    H    ALA   7           H        ALA   7  -8.365  -0.164  -1.162
  278    HA   ALA   7           HA       ALA   7  -6.944  -1.579   0.725
  279    HB1  ALA   7           1HB      ALA   7  -9.777  -0.584   0.987
  280    HB2  ALA   7           2HB      ALA   7  -8.322   0.376   1.258
  281    HB3  ALA   7           3HB      ALA   7  -8.697  -0.982   2.322
  282    H    ASN   8           H        ASN   8 -10.060  -2.478  -0.757
  283    HA   ASN   8           HA       ASN   8 -10.396  -4.887   0.721
  284    HB2  ASN   8           2HB      ASN   8 -11.380  -4.256  -2.083
  285    HB3  ASN   8           1HB      ASN   8 -11.818  -5.706  -1.199
  286   HD21  ASN   8          1HD2      ASN   8 -12.397  -2.382  -1.686
  287   HD22  ASN   8          2HD2      ASN   8 -13.721  -2.232  -0.594
  288    H    LYS   9           H        LYS   9  -8.948  -4.178  -2.364
  289    HA   LYS   9           HA       LYS   9  -8.304  -6.801  -3.085
  290    HB2  LYS   9           2HB      LYS   9  -6.970  -4.218  -3.899
  291    HB3  LYS   9           1HB      LYS   9  -6.755  -5.747  -4.731
  292    HG2  LYS   9           2HG      LYS   9  -9.124  -5.781  -5.315
  293    HG3  LYS   9           1HG      LYS   9  -9.372  -4.286  -4.417
  294    HD2  LYS   9           2HD      LYS   9  -9.242  -3.773  -6.767
  295    HD3  LYS   9           1HD      LYS   9  -7.804  -3.149  -5.970
  296    HE2  LYS   9           2HE      LYS   9  -6.508  -5.038  -6.763
  297    HE3  LYS   9           1HE      LYS   9  -7.946  -5.758  -7.483
  298    HZ1  LYS   9           3HZ      LYS   9  -6.636  -4.637  -9.138
  299    HZ2  LYS   9           1HZ      LYS   9  -6.688  -3.188  -8.287
  300    HZ3  LYS   9           2HZ      LYS   9  -8.093  -3.821  -8.959
  301    H    CYS  10           H        CYS  10  -6.257  -4.415  -1.432
  302    HA   CYS  10           HA       CYS  10  -4.004  -6.182  -1.243
  303    HB2  CYS  10           2HB      CYS  10  -4.690  -3.848   0.550
  304    HB3  CYS  10           1HB      CYS  10  -3.098  -4.547   0.279
  305    H    CYS  11           H        CYS  11  -6.863  -5.742   0.674
  306    HA   CYS  11           HA       CYS  11  -5.809  -7.099   2.961
  307    HB2  CYS  11           2HB      CYS  11  -7.581  -5.367   3.100
  308    HB3  CYS  11           1HB      CYS  11  -8.656  -6.439   2.232
  309    H    HIS  12           H        HIS  12  -7.770  -7.918   0.167
  310    HA   HIS  12           HA       HIS  12  -8.293 -10.546   1.227
  311    HB2  HIS  12           2HB      HIS  12  -9.122  -9.106  -1.233
  312    HB3  HIS  12           1HB      HIS  12  -9.388 -10.833  -1.070
  313    HD1  HIS  12           1HD      HIS  12 -11.479 -11.495   0.304
  314    HD2  HIS  12           2HD      HIS  12 -10.432  -7.502   0.737
  315    HE1  HIS  12           1HE      HIS  12 -13.352 -10.422   1.610
  316    H    VAL  13           H        VAL  13  -6.589  -9.242  -1.545
  317    HA   VAL  13           HA       VAL  13  -5.282 -11.854  -1.729
  318    HB   VAL  13           HB       VAL  13  -4.786 -11.338  -4.089
  319   HG11  VAL  13          1HG1      VAL  13  -7.700 -11.444  -3.276
  320   HG12  VAL  13          2HG1      VAL  13  -6.636 -12.832  -3.520
  321   HG13  VAL  13          3HG1      VAL  13  -7.124 -11.833  -4.893
  322   HG21  VAL  13          3HG2      VAL  13  -6.747  -9.077  -3.715
  323   HG22  VAL  13          1HG2      VAL  13  -6.204  -9.674  -5.287
  324   HG23  VAL  13          2HG2      VAL  13  -5.050  -8.949  -4.170
  325    H    GLY  14           H        GLY  14  -4.707  -8.487  -2.183
  326    HA2  GLY  14           2HA      GLY  14  -2.747  -7.623  -0.833
  327    HA3  GLY  14           1HA      GLY  14  -1.841  -8.906  -1.529
  328    H    CYS  15           H        CYS  15  -0.972  -6.398  -1.825
  329    HA   CYS  15           HA       CYS  15  -1.196  -5.971  -4.686
  330    HB2  CYS  15           2HB      CYS  15  -1.621  -3.586  -4.393
  331    HB3  CYS  15           1HB      CYS  15  -2.965  -4.558  -3.816
  332    H    THR  16           H        THR  16   0.442  -4.351  -5.358
  333    HA   THR  16           HA       THR  16   2.786  -4.746  -3.837
  334    HB   THR  16           HB       THR  16   3.855  -3.328  -5.610
  335    HG1  THR  16           1HG      THR  16   2.119  -3.397  -7.508
  336   HG21  THR  16          3HG2      THR  16   2.255  -5.683  -6.596
  337   HG22  THR  16          1HG2      THR  16   3.825  -5.767  -5.801
  338   HG23  THR  16          2HG2      THR  16   3.679  -5.007  -7.385
  339    H    LYS  17           H        LYS  17   3.990  -3.161  -3.026
  340    HA   LYS  17           HA       LYS  17   2.622  -1.044  -1.610
  341    HB2  LYS  17           2HB      LYS  17   4.841  -2.332  -1.080
  342    HB3  LYS  17           1HB      LYS  17   5.604  -1.123  -2.088
  343    HG2  LYS  17           2HG      LYS  17   5.870  -0.624   0.151
  344    HG3  LYS  17           1HG      LYS  17   4.799   0.611  -0.558
  345    HD2  LYS  17           2HD      LYS  17   2.872  -0.507   0.449
  346    HD3  LYS  17           1HD      LYS  17   3.913  -1.797   1.056
  347    HE2  LYS  17           2HE      LYS  17   4.058   1.112   1.861
  348    HE3  LYS  17           1HE      LYS  17   3.335  -0.185   2.806
  349    HZ1  LYS  17           3HZ      LYS  17   6.189  -0.050   2.022
  350    HZ2  LYS  17           1HZ      LYS  17   5.496  -1.238   2.962
  351    HZ3  LYS  17           2HZ      LYS  17   5.601   0.335   3.529
  352    H    ARG  18           H        ARG  18   4.266  -1.383  -4.609
  353    HA   ARG  18           HA       ARG  18   4.518   1.318  -5.413
  354    HB2  ARG  18           2HB      ARG  18   3.976  -1.115  -7.124
  355    HB3  ARG  18           1HB      ARG  18   4.608   0.419  -7.686
  356    HG2  ARG  18           2HG      ARG  18   5.993  -1.477  -5.809
  357    HG3  ARG  18           1HG      ARG  18   6.335  -1.275  -7.523
  358    HD2  ARG  18           2HD      ARG  18   6.643   0.832  -5.393
  359    HD3  ARG  18           1HD      ARG  18   7.947  -0.083  -6.139
  360    HE   ARG  18           HE       ARG  18   6.379   2.053  -7.323
  361   HH11  ARG  18          1HH1      ARG  18   8.839  -0.455  -7.859
  362   HH12  ARG  18          2HH1      ARG  18   9.573   0.364  -9.157
  363   HH21  ARG  18          1HH2      ARG  18   7.421   3.140  -9.112
  364   HH22  ARG  18          2HH2      ARG  18   8.761   2.398  -9.873
  365    H    SER  19           H        SER  19   1.898  -0.950  -5.304
  366    HA   SER  19           HA       SER  19   0.183   0.451  -7.056
  367    HB2  SER  19           2HB      SER  19   0.049  -1.968  -6.720
  368    HB3  SER  19           1HB      SER  19  -0.433  -1.759  -5.058
  369    HG   SER  19           HG       SER  19  -2.321  -1.968  -6.111
  370    H    LEU  20           H        LEU  20   0.600   0.275  -3.562
  371    HA   LEU  20           HA       LEU  20  -1.475   2.341  -3.230
  372    HB2  LEU  20           2HB      LEU  20   0.473   1.973  -0.894
  373    HB3  LEU  20           1HB      LEU  20  -1.179   2.376  -0.974
  374    HG   LEU  20           HG       LEU  20  -1.723  -0.013  -1.600
  375   HD11  LEU  20          1HD1      LEU  20   1.034  -0.428  -0.543
  376   HD12  LEU  20          2HD1      LEU  20   0.491  -0.754  -2.195
  377   HD13  LEU  20          3HD1      LEU  20  -0.153  -1.690  -0.849
  378   HD21  LEU  20          3HD2      LEU  20  -2.211   0.910   0.585
  379   HD22  LEU  20          1HD2      LEU  20  -0.553   0.573   1.096
  380   HD23  LEU  20          2HD2      LEU  20  -1.643  -0.759   0.712
  381    H    ALA  21           H        ALA  21   1.847   2.281  -3.707
  382    HA   ALA  21           HA       ALA  21   2.448   4.956  -3.085
  383    HB1  ALA  21           1HB      ALA  21   3.756   3.328  -5.250
  384    HB2  ALA  21           2HB      ALA  21   4.173   3.259  -3.539
  385    HB3  ALA  21           3HB      ALA  21   4.434   4.747  -4.452
  386    H    ARG  22           H        ARG  22   1.104   3.618  -6.035
  387    HA   ARG  22           HA       ARG  22   1.325   6.070  -7.506
  388    HB2  ARG  22           2HB      ARG  22  -0.150   4.981  -9.188
  389    HB3  ARG  22           1HB      ARG  22   1.252   4.010  -8.760
  390    HG2  ARG  22           2HG      ARG  22  -0.131   2.673  -7.273
  391    HG3  ARG  22           1HG      ARG  22  -1.530   3.648  -7.699
  392    HD2  ARG  22           2HD      ARG  22  -1.463   2.876  -9.947
  393    HD3  ARG  22           1HD      ARG  22   0.081   2.063  -9.682
  394    HE   ARG  22           HE       ARG  22  -1.508   0.947  -7.836
  395   HH11  ARG  22          1HH1      ARG  22  -2.059   1.439 -11.279
  396   HH12  ARG  22          2HH1      ARG  22  -2.823  -0.053 -11.535
  397   HH21  ARG  22          1HH2      ARG  22  -2.523  -1.099  -8.145
  398   HH22  ARG  22          2HH2      ARG  22  -3.111  -1.553  -9.694
  399    H    PHE  23           H        PHE  23  -0.914   4.920  -5.220
  400    HA   PHE  23           HA       PHE  23  -2.888   6.907  -6.079
  401    HB2  PHE  23           2HB      PHE  23  -3.119   4.678  -4.055
  402    HB3  PHE  23           1HB      PHE  23  -4.354   5.907  -4.279
  403    HD1  PHE  23           1HD      PHE  23  -5.391   6.111  -6.609
  404    HD2  PHE  23           2HD      PHE  23  -3.125   2.757  -5.347
  405    HE1  PHE  23           1HE      PHE  23  -6.454   4.748  -8.352
  406    HE2  PHE  23           2HE      PHE  23  -4.171   1.381  -7.090
  407    HZ   PHE  23           HZ       PHE  23  -5.842   2.375  -8.604
  408    H    CYS  24           H        CYS  24  -1.126   5.910  -3.300
  409    HA   CYS  24           HA       CYS  24  -0.331   8.548  -2.602
  410    HB2  CYS  24           2HB      CYS  24  -2.693   8.569  -1.692
  411    HB3  CYS  24           1HB      CYS  24  -2.271   7.203  -0.683
  412    HN1  NH2  25           HT1      CYS  24   1.609   7.545  -2.733
  413    HN2  NH2  25           HT2      CYS  24   2.161   6.342  -1.625
  Start of MODEL    7
    1    H1   ASP   1           1HT      ASP   1  13.302   3.293  -3.473
    2    H2   ASP   1           2HT      ASP   1  13.137   4.495  -4.639
    3    H3   ASP   1           3HT      ASP   1  14.259   3.263  -4.878
    4    HA   ASP   1           HA       ASP   1  11.305   3.015  -4.867
    5    HB2  ASP   1           2HB      ASP   1  13.381   2.853  -7.030
    6    HB3  ASP   1           1HB      ASP   1  11.734   2.269  -7.215
    7    H    SER   2           H        SER   2  14.193   1.367  -4.041
    8    HA   SER   2           HA       SER   2  13.813  -1.131  -5.175
    9    HB2  SER   2           2HB      SER   2  14.979  -0.629  -2.456
   10    HB3  SER   2           1HB      SER   2  15.452  -1.862  -3.629
   11    HG   SER   2           HG       SER   2  16.085  -0.064  -5.020
   12    H    TRP   3           H        TRP   3  12.322   0.318  -2.704
   13    HA   TRP   3           HA       TRP   3  11.201  -2.044  -1.437
   14    HB2  TRP   3           2HB      TRP   3   9.916  -0.381  -0.015
   15    HB3  TRP   3           1HB      TRP   3  11.664  -0.306   0.116
   16    HD1  TRP   3           HD       TRP   3  12.782   1.978  -0.400
   17    HE1  TRP   3           1HE      TRP   3  11.957   4.280  -1.144
   18    HE3  TRP   3           3HE      TRP   3   7.988   0.752  -1.539
   19    HZ2  TRP   3           2HZ      TRP   3   9.539   5.437  -2.101
   20    HZ3  TRP   3           3HZ      TRP   3   6.490   2.433  -2.376
   21    HH2  TRP   3           HH       TRP   3   7.228   4.785  -2.652
   22    H    MET   4           H        MET   4  10.267  -0.055  -4.082
   23    HA   MET   4           HA       MET   4   7.461  -0.255  -3.478
   24    HB2  MET   4           2HB      MET   4   6.958   1.031  -5.419
   25    HB3  MET   4           1HB      MET   4   8.353   1.754  -4.655
   26    HG2  MET   4           2HG      MET   4   9.816   0.843  -6.326
   27    HG3  MET   4           1HG      MET   4   8.487  -0.063  -7.050
   28    HE1  MET   4           3HE      MET   4  10.373   1.789  -8.773
   29    HE2  MET   4           1HE      MET   4   9.198   2.644  -9.772
   30    HE3  MET   4           2HE      MET   4   8.992   0.925  -9.445
   31    H    GLU   5           H        GLU   5   9.706  -2.080  -5.246
   32    HA   GLU   5           HA       GLU   5   7.603  -3.499  -6.620
   33    HB2  GLU   5           2HB      GLU   5  10.563  -4.087  -6.447
   34    HB3  GLU   5           1HB      GLU   5   9.417  -4.923  -7.487
   35    HG2  GLU   5           2HG      GLU   5   8.963  -2.778  -8.632
   36    HG3  GLU   5           1HG      GLU   5  10.219  -2.030  -7.647
   37    H    GLU   6           H        GLU   6   6.413  -4.134  -4.890
   38    HA   GLU   6           HA       GLU   6   7.310  -6.480  -3.483
   39    HB2  GLU   6           2HB      GLU   6   8.088  -4.367  -2.149
   40    HB3  GLU   6           1HB      GLU   6   6.386  -4.067  -2.033
   41    HG2  GLU   6           2HG      GLU   6   7.275  -5.095   0.003
   42    HG3  GLU   6           1HG      GLU   6   5.928  -5.955  -0.739
   43    H    VAL   7           H        VAL   7   5.551  -7.277  -2.276
   44    HA   VAL   7           HA       VAL   7   2.912  -6.231  -2.808
   45    HB   VAL   7           HB       VAL   7   3.158  -7.922  -4.583
   46   HG11  VAL   7          1HG1      VAL   7   3.805  -9.899  -2.408
   47   HG12  VAL   7          2HG1      VAL   7   4.912  -9.289  -3.637
   48   HG13  VAL   7          3HG1      VAL   7   3.537 -10.289  -4.109
   49   HG21  VAL   7          3HG2      VAL   7   0.942  -7.732  -3.582
   50   HG22  VAL   7          1HG2      VAL   7   1.369  -8.919  -2.354
   51   HG23  VAL   7          2HG2      VAL   7   1.250  -9.405  -4.042
   52    H    ILE   8           H        ILE   8   1.786  -6.182  -1.035
   53    HA   ILE   8           HA       ILE   8   2.615  -7.871   1.215
   54    HB   ILE   8           HB       ILE   8   2.140  -6.001   2.762
   55   HG12  ILE   8          2HG1      ILE   8   1.801  -4.393   0.228
   56   HG13  ILE   8          1HG1      ILE   8   0.560  -4.748   1.406
   57   HG21  ILE   8          1HG2      ILE   8   4.230  -5.316   0.700
   58   HG22  ILE   8          2HG2      ILE   8   4.447  -6.363   2.100
   59   HG23  ILE   8          3HG2      ILE   8   4.142  -4.641   2.326
   60   HD11  ILE   8          3HD1      ILE   8   1.726  -3.375   3.077
   61   HD12  ILE   8          1HD1      ILE   8   1.327  -2.447   1.630
   62   HD13  ILE   8          2HD1      ILE   8   2.977  -3.009   1.891
   63    H    LYS   9           H        LYS   9   0.815  -7.731   2.894
   64    HA   LYS   9           HA       LYS   9  -1.782  -7.531   1.599
   65    HB2  LYS   9           2HB      LYS   9  -1.040  -9.913   1.477
   66    HB3  LYS   9           1HB      LYS   9  -0.934  -9.933   3.230
   67    HG2  LYS   9           2HG      LYS   9  -3.348  -9.440   3.341
   68    HG3  LYS   9           1HG      LYS   9  -3.419  -9.549   1.585
   69    HD2  LYS   9           2HD      LYS   9  -2.610 -11.861   1.706
   70    HD3  LYS   9           1HD      LYS   9  -2.577 -11.748   3.467
   71    HE2  LYS   9           2HE      LYS   9  -5.019 -11.444   1.724
   72    HE3  LYS   9           1HE      LYS   9  -4.592 -12.873   2.661
   73    HZ1  LYS   9           3HZ      LYS   9  -6.241 -11.492   3.773
   74    HZ2  LYS   9           1HZ      LYS   9  -5.185 -10.188   3.797
   75    HZ3  LYS   9           2HZ      LYS   9  -4.826 -11.579   4.685
   76    H    LEU  10           H        LEU  10  -1.797  -5.601   2.822
   77    HA   LEU  10           HA       LEU  10  -2.243  -6.009   5.693
   78    HB2  LEU  10           2HB      LEU  10  -1.224  -3.631   4.194
   79    HB3  LEU  10           1HB      LEU  10  -2.074  -3.417   5.691
   80    HG   LEU  10           HG       LEU  10  -0.471  -4.701   6.892
   81   HD11  LEU  10          1HD1      LEU  10   0.274  -6.268   5.196
   82   HD12  LEU  10          2HD1      LEU  10   1.671  -5.392   5.840
   83   HD13  LEU  10          3HD1      LEU  10   0.999  -4.955   4.266
   84   HD21  LEU  10          3HD2      LEU  10   0.841  -2.603   5.200
   85   HD22  LEU  10          1HD2      LEU  10   1.443  -3.189   6.747
   86   HD23  LEU  10          2HD2      LEU  10  -0.095  -2.322   6.666
   87    H    CYS  11           H        CYS  11  -3.710  -4.279   6.557
   88    HA   CYS  11           HA       CYS  11  -5.917  -3.682   4.839
   89    HB2  CYS  11           2HB      CYS  11  -6.250  -5.958   5.006
   90    HB3  CYS  11           1HB      CYS  11  -6.128  -6.006   6.774
   91    H    GLY  12           H        GLY  12  -7.644  -2.802   6.007
   92    HA2  GLY  12           2HA      GLY  12  -8.496  -1.185   7.445
   93    HA3  GLY  12           1HA      GLY  12  -7.714  -2.129   8.697
   94    H    ARG  13           H        ARG  13  -6.709  -0.876   9.910
   95    HA   ARG  13           HA       ARG  13  -5.760   1.695   9.226
   96    HB2  ARG  13           2HB      ARG  13  -5.179   0.018  11.652
   97    HB3  ARG  13           1HB      ARG  13  -4.755   1.709  11.452
   98    HG2  ARG  13           2HG      ARG  13  -7.091   2.318  11.348
   99    HG3  ARG  13           1HG      ARG  13  -7.558   0.617  11.458
  100    HD2  ARG  13           2HD      ARG  13  -6.033   2.186  13.531
  101    HD3  ARG  13           1HD      ARG  13  -7.727   1.708  13.637
  102    HE   ARG  13           HE       ARG  13  -6.561  -0.640  13.296
  103   HH11  ARG  13          1HH1      ARG  13  -5.667   1.993  15.482
  104   HH12  ARG  13          2HH1      ARG  13  -5.063   0.962  16.695
  105   HH21  ARG  13          1HH2      ARG  13  -5.651  -2.061  14.977
  106   HH22  ARG  13          2HH2      ARG  13  -5.074  -1.353  16.407
  107    H    GLU  14           H        GLU  14  -4.198  -1.506   9.336
  108    HA   GLU  14           HA       GLU  14  -1.568  -0.432   9.448
  109    HB2  GLU  14           2HB      GLU  14  -2.610  -3.111   8.615
  110    HB3  GLU  14           1HB      GLU  14  -0.900  -2.733   8.642
  111    HG2  GLU  14           2HG      GLU  14  -1.239  -2.141  11.091
  112    HG3  GLU  14           1HG      GLU  14  -2.830  -2.885  10.931
  113    H    LEU  15           H        LEU  15  -3.790  -1.241   7.002
  114    HA   LEU  15           HA       LEU  15  -2.015  -1.110   4.810
  115    HB2  LEU  15           2HB      LEU  15  -4.305  -2.113   4.847
  116    HB3  LEU  15           1HB      LEU  15  -4.958  -0.491   4.857
  117    HG   LEU  15           HG       LEU  15  -3.981  -0.080   2.645
  118   HD11  LEU  15          1HD1      LEU  15  -2.045  -1.575   2.827
  119   HD12  LEU  15          2HD1      LEU  15  -3.025  -1.971   1.411
  120   HD13  LEU  15          3HD1      LEU  15  -3.143  -2.957   2.869
  121   HD21  LEU  15          3HD2      LEU  15  -5.614  -2.591   2.882
  122   HD22  LEU  15          1HD2      LEU  15  -5.384  -1.637   1.413
  123   HD23  LEU  15          2HD2      LEU  15  -6.225  -0.937   2.807
  124    H    VAL  16           H        VAL  16  -4.082   1.226   6.434
  125    HA   VAL  16           HA       VAL  16  -3.414   3.478   4.789
  126    HB   VAL  16           HB       VAL  16  -4.377   3.449   7.677
  127   HG11  VAL  16          1HG1      VAL  16  -5.199   5.713   7.236
  128   HG12  VAL  16          2HG1      VAL  16  -4.500   5.653   5.618
  129   HG13  VAL  16          3HG1      VAL  16  -3.449   5.613   7.034
  130   HG21  VAL  16          3HG2      VAL  16  -6.622   3.776   6.761
  131   HG22  VAL  16          1HG2      VAL  16  -5.919   2.249   6.233
  132   HG23  VAL  16          2HG2      VAL  16  -5.975   3.622   5.128
  133    H    ARG  17           H        ARG  17  -2.119   2.185   7.796
  134    HA   ARG  17           HA       ARG  17  -0.186   4.134   8.313
  135    HB2  ARG  17           2HB      ARG  17  -0.197   1.183   8.915
  136    HB3  ARG  17           1HB      ARG  17   1.095   2.240   9.444
  137    HG2  ARG  17           2HG      ARG  17  -0.412   3.493  10.825
  138    HG3  ARG  17           1HG      ARG  17  -1.799   2.617  10.176
  139    HD2  ARG  17           2HD      ARG  17  -1.117   1.810  12.406
  140    HD3  ARG  17           1HD      ARG  17  -1.013   0.551  11.179
  141    HE   ARG  17           HE       ARG  17   1.448   1.964  11.647
  142   HH11  ARG  17          1HH1      ARG  17  -0.554  -0.749  12.764
  143   HH12  ARG  17          2HH1      ARG  17   0.753  -1.627  13.411
  144   HH21  ARG  17          1HH2      ARG  17   3.190   0.821  12.581
  145   HH22  ARG  17          2HH2      ARG  17   2.951  -0.703  13.325
  146    H    ALA  18           H        ALA  18   0.058   1.219   6.418
  147    HA   ALA  18           HA       ALA  18   2.726   1.523   5.572
  148    HB1  ALA  18           1HB      ALA  18   1.491  -0.571   5.307
  149    HB2  ALA  18           2HB      ALA  18   2.158  -0.033   3.762
  150    HB3  ALA  18           3HB      ALA  18   0.444   0.191   4.109
  151    H    GLN  19           H        GLN  19  -0.301   2.512   4.083
  152    HA   GLN  19           HA       GLN  19   0.615   3.721   1.777
  153    HB2  GLN  19           2HB      GLN  19  -1.671   4.161   3.588
  154    HB3  GLN  19           1HB      GLN  19  -1.516   5.259   2.256
  155    HG2  GLN  19           2HG      GLN  19  -1.442   3.239   0.777
  156    HG3  GLN  19           1HG      GLN  19  -1.806   2.263   2.208
  157   HE21  GLN  19          1HE2      GLN  19  -3.229   2.571  -0.241
  158   HE22  GLN  19          2HE2      GLN  19  -4.799   3.152   0.168
  159    H    ILE  20           H        ILE  20  -0.088   5.262   4.874
  160    HA   ILE  20           HA       ILE  20   0.931   7.814   4.314
  161    HB   ILE  20           HB       ILE  20   0.809   6.434   7.021
  162   HG12  ILE  20          2HG1      ILE  20  -1.394   6.604   5.972
  163   HG13  ILE  20          1HG1      ILE  20  -1.287   7.685   7.351
  164   HG21  ILE  20          1HG2      ILE  20   1.123   9.373   6.408
  165   HG22  ILE  20          2HG2      ILE  20   2.339   8.320   7.129
  166   HG23  ILE  20          3HG2      ILE  20   0.855   8.687   8.011
  167   HD11  ILE  20          3HD1      ILE  20  -1.092   8.472   4.447
  168   HD12  ILE  20          1HD1      ILE  20  -0.939   9.573   5.818
  169   HD13  ILE  20          2HD1      ILE  20  -2.463   8.738   5.522
  170    H    ALA  21           H        ALA  21   2.590   4.937   5.497
  171    HA   ALA  21           HA       ALA  21   5.075   6.133   6.055
  172    HB1  ALA  21           1HB      ALA  21   6.012   3.879   5.939
  173    HB2  ALA  21           2HB      ALA  21   4.544   3.297   5.156
  174    HB3  ALA  21           3HB      ALA  21   4.487   3.863   6.824
  175    H    ILE  22           H        ILE  22   3.733   4.723   3.134
  176    HA   ILE  22           HA       ILE  22   5.942   4.906   1.418
  177    HB   ILE  22           HB       ILE  22   3.048   5.414   0.688
  178   HG12  ILE  22          2HG1      ILE  22   3.333   3.200   1.748
  179   HG13  ILE  22          1HG1      ILE  22   2.890   3.074   0.052
  180   HG21  ILE  22          1HG2      ILE  22   4.459   6.182  -1.063
  181   HG22  ILE  22          2HG2      ILE  22   3.767   4.627  -1.571
  182   HG23  ILE  22          3HG2      ILE  22   5.425   4.710  -1.000
  183   HD11  ILE  22          3HD1      ILE  22   5.200   2.618  -0.509
  184   HD12  ILE  22          1HD1      ILE  22   4.543   1.456   0.641
  185   HD13  ILE  22          2HD1      ILE  22   5.637   2.729   1.200
  186    H    CYS  23           H        CYS  23   3.308   7.157   1.987
  187    HA   CYS  23           HA       CYS  23   4.250   9.104   0.128
  188    HB2  CYS  23           2HB      CYS  23   2.237   9.181   2.316
  189    HB3  CYS  23           1HB      CYS  23   2.440  10.423   1.096
  190    H    GLY  24           H        GLY  24   4.553   8.596   3.454
  191    HA2  GLY  24           2HA      GLY  24   5.695  11.172   4.065
  192    HA3  GLY  24           1HA      GLY  24   5.628   9.788   5.149
  193    H    MET  25           H        MET  25   6.938   8.170   2.869
  194    HA   MET  25           HA       MET  25   9.538   9.319   2.883
  195    HB2  MET  25           2HB      MET  25   9.607   8.241   5.041
  196    HB3  MET  25           1HB      MET  25   8.999   6.742   4.360
  197    HG2  MET  25           2HG      MET  25  11.424   6.694   4.826
  198    HG3  MET  25           1HG      MET  25  11.003   6.398   3.137
  199    HE1  MET  25           3HE      MET  25  12.458   8.974   5.705
  200    HE2  MET  25           1HE      MET  25  11.104   9.877   5.027
  201    HE3  MET  25           2HE      MET  25  12.760  10.385   4.691
  202    H    SER  26           H        SER  26   8.936   9.360   0.718
  203    HA   SER  26           HA       SER  26   9.328   6.813  -0.653
  204    HB2  SER  26           2HB      SER  26   8.596   9.519  -1.793
  205    HB3  SER  26           1HB      SER  26   8.664   8.012  -2.705
  206    HG   SER  26           HG       SER  26   7.090   7.849  -0.469
  207    H    THR  27           H        THR  27  11.060   9.076   0.619
  208    HA   THR  27           HA       THR  27  12.983   9.619  -1.471
  209    HB   THR  27           HB       THR  27  13.301  10.227   1.437
  210    HG1  THR  27           1HG      THR  27  11.710  11.559  -0.537
  211   HG21  THR  27          3HG2      THR  27  14.388  12.270   0.556
  212   HG22  THR  27          1HG2      THR  27  14.020  11.742  -1.086
  213   HG23  THR  27          2HG2      THR  27  15.143  10.814  -0.098
  214    H    TRP  28           H        TRP  28  12.423   7.391   0.748
  215    HA   TRP  28           HA       TRP  28  15.031   6.451   1.454
  216    HB2  TRP  28           2HB      TRP  28  12.956   6.003   2.751
  217    HB3  TRP  28           1HB      TRP  28  12.421   4.921   1.469
  218    HD1  TRP  28           HD       TRP  28  13.401   2.489   1.494
  219    HE1  TRP  28           1HE      TRP  28  14.887   1.209   3.147
  220    HE3  TRP  28           3HE      TRP  28  14.958   6.397   4.387
  221    HZ2  TRP  28           2HZ      TRP  28  16.499   1.763   5.371
  222    HZ3  TRP  28           3HZ      TRP  28  16.480   5.935   6.265
  223    HH2  TRP  28           HH       TRP  28  17.234   3.667   6.747
  224    H    SER  29           H        SER  29  16.302   4.959   0.433
  225    HA   SER  29           HA       SER  29  15.905   4.453  -2.300
  226    HB2  SER  29           2HB      SER  29  17.850   3.069  -0.434
  227    HB3  SER  29           1HB      SER  29  17.974   3.207  -2.184
  228    HG   SER  29           HG       SER  29  17.759   5.643  -1.497
  229    HN1  NH2  30           HT1      SER  29  16.251   2.011   0.253
  230    HN2  NH2  30           HT2      SER  29  15.095   0.908  -0.396
  231    HA   PCA   1           HA       PCA   1 -13.538   4.460  -4.091
  232    HB2  PCA   1           2HB      PCA   1 -14.162   2.381  -6.003
  233    HB3  PCA   1           1HB      PCA   1 -15.240   3.078  -4.765
  234    HG2  PCA   1           2HG      PCA   1 -15.246   3.540  -7.626
  235    HG3  PCA   1           1HG      PCA   1 -16.348   4.242  -6.393
  236    H    LEU   2           H        LEU   2 -11.502   5.236  -5.861
  237    HA   LEU   2           HA       LEU   2  -9.908   3.064  -6.803
  238    HB2  LEU   2           2HB      LEU   2  -9.032   5.837  -6.024
  239    HB3  LEU   2           1HB      LEU   2  -8.036   4.680  -6.879
  240    HG   LEU   2           HG       LEU   2 -10.603   5.882  -7.929
  241   HD11  LEU   2          1HD1      LEU   2  -8.809   7.520  -7.785
  242   HD12  LEU   2          2HD1      LEU   2  -9.162   7.106  -9.461
  243   HD13  LEU   2          3HD1      LEU   2  -7.736   6.434  -8.669
  244   HD21  LEU   2          3HD2      LEU   2  -9.923   4.863 -10.065
  245   HD22  LEU   2          1HD2      LEU   2 -10.218   3.646  -8.823
  246   HD23  LEU   2          2HD2      LEU   2  -8.566   4.086  -9.251
  247    H    TYR   3           H        TYR   3  -9.836   4.862  -3.821
  248    HA   TYR   3           HA       TYR   3  -7.608   3.434  -2.720
  249    HB2  TYR   3           2HB      TYR   3  -9.697   5.198  -1.513
  250    HB3  TYR   3           1HB      TYR   3  -8.439   4.450  -0.556
  251    HD1  TYR   3           1HD      TYR   3  -6.032   5.122  -1.057
  252    HD2  TYR   3           2HD      TYR   3  -9.355   7.135  -2.776
  253    HE1  TYR   3           1HE      TYR   3  -4.587   7.026  -1.617
  254    HE2  TYR   3           2HE      TYR   3  -7.937   9.027  -3.340
  255    HH   TYR   3           HH       TYR   3  -4.523   8.865  -3.177
  256    H    SER   4           H        SER   4 -11.034   3.445  -2.231
  257    HA   SER   4           HA       SER   4 -11.360   1.408  -0.412
  258    HB2  SER   4           2HB      SER   4 -13.161   1.999  -2.761
  259    HB3  SER   4           1HB      SER   4 -13.628   1.222  -1.246
  260    HG   SER   4           HG       SER   4 -14.172   3.308  -1.014
  261    H    ALA   5           H        ALA   5 -11.129   1.101  -3.972
  262    HA   ALA   5           HA       ALA   5 -11.493  -1.668  -4.130
  263    HB1  ALA   5           1HB      ALA   5 -11.586  -0.176  -6.085
  264    HB2  ALA   5           2HB      ALA   5 -10.458  -1.506  -6.343
  265    HB3  ALA   5           3HB      ALA   5  -9.849   0.102  -5.949
  266    H    LEU   6           H        LEU   6  -8.549   0.262  -3.827
  267    HA   LEU   6           HA       LEU   6  -6.720  -1.885  -3.809
  268    HB2  LEU   6           2HB      LEU   6  -6.049   0.464  -4.134
  269    HB3  LEU   6           1HB      LEU   6  -6.513   0.830  -2.488
  270    HG   LEU   6           HG       LEU   6  -4.755  -0.812  -1.738
  271   HD11  LEU   6          1HD1      LEU   6  -3.921  -0.634  -4.615
  272   HD12  LEU   6          2HD1      LEU   6  -4.474  -2.074  -3.753
  273   HD13  LEU   6          3HD1      LEU   6  -2.950  -1.305  -3.307
  274   HD21  LEU   6          3HD2      LEU   6  -4.382   1.567  -1.576
  275   HD22  LEU   6          1HD2      LEU   6  -3.880   1.634  -3.262
  276   HD23  LEU   6          2HD2      LEU   6  -2.893   0.772  -2.086
  277    H    ALA   7           H        ALA   7  -8.413  -0.178  -1.225
  278    HA   ALA   7           HA       ALA   7  -7.267  -1.368   0.995
  279    HB1  ALA   7           1HB      ALA   7  -9.252  -0.673   2.225
  280    HB2  ALA   7           2HB      ALA   7 -10.123  -0.439   0.709
  281    HB3  ALA   7           3HB      ALA   7  -8.747   0.591   1.103
  282    H    ASN   8           H        ASN   8 -10.075  -2.359  -0.833
  283    HA   ASN   8           HA       ASN   8 -10.554  -4.676   0.749
  284    HB2  ASN   8           2HB      ASN   8 -11.598  -3.821  -1.948
  285    HB3  ASN   8           1HB      ASN   8 -12.004  -5.384  -1.256
  286   HD21  ASN   8          1HD2      ASN   8 -12.397  -1.934  -0.950
  287   HD22  ASN   8          2HD2      ASN   8 -13.718  -1.970   0.141
  288    H    LYS   9           H        LYS   9  -8.933  -4.138  -2.339
  289    HA   LYS   9           HA       LYS   9  -8.453  -6.835  -2.956
  290    HB2  LYS   9           2HB      LYS   9  -8.160  -4.820  -4.525
  291    HB3  LYS   9           1HB      LYS   9  -6.682  -4.505  -3.666
  292    HG2  LYS   9           2HG      LYS   9  -5.728  -6.615  -4.356
  293    HG3  LYS   9           1HG      LYS   9  -7.223  -7.041  -5.190
  294    HD2  LYS   9           2HD      LYS   9  -6.932  -5.037  -6.632
  295    HD3  LYS   9           1HD      LYS   9  -5.386  -4.735  -5.842
  296    HE2  LYS   9           2HE      LYS   9  -5.038  -5.877  -7.961
  297    HE3  LYS   9           1HE      LYS   9  -4.576  -6.920  -6.621
  298    HZ1  LYS   9           3HZ      LYS   9  -5.857  -8.090  -8.337
  299    HZ2  LYS   9           1HZ      LYS   9  -7.159  -7.067  -8.082
  300    HZ3  LYS   9           2HZ      LYS   9  -6.673  -8.115  -6.866
  301    H    CYS  10           H        CYS  10  -6.402  -4.537  -1.221
  302    HA   CYS  10           HA       CYS  10  -4.260  -6.406  -0.882
  303    HB2  CYS  10           2HB      CYS  10  -4.258  -3.791  -0.721
  304    HB3  CYS  10           1HB      CYS  10  -4.777  -4.081   0.925
  305    H    CYS  11           H        CYS  11  -7.163  -5.637   0.910
  306    HA   CYS  11           HA       CYS  11  -6.335  -6.968   3.274
  307    HB2  CYS  11           2HB      CYS  11  -8.122  -5.188   3.119
  308    HB3  CYS  11           1HB      CYS  11  -9.154  -6.382   2.362
  309    H    HIS  12           H        HIS  12  -8.153  -7.911   0.366
  310    HA   HIS  12           HA       HIS  12  -8.745 -10.498   1.484
  311    HB2  HIS  12           2HB      HIS  12  -9.241  -9.279  -1.208
  312    HB3  HIS  12           1HB      HIS  12  -9.572 -10.972  -0.886
  313    HD1  HIS  12           1HD      HIS  12 -11.950 -11.398  -0.067
  314    HD2  HIS  12           2HD      HIS  12 -10.686  -7.512   0.618
  315    HE1  HIS  12           1HE      HIS  12 -13.944 -10.171   0.827
  316    H    VAL  13           H        VAL  13  -6.795  -9.386  -1.232
  317    HA   VAL  13           HA       VAL  13  -5.392 -11.948  -1.036
  318    HB   VAL  13           HB       VAL  13  -4.712 -11.634  -3.415
  319   HG11  VAL  13          1HG1      VAL  13  -6.922 -12.379  -4.323
  320   HG12  VAL  13          2HG1      VAL  13  -7.680 -11.811  -2.833
  321   HG13  VAL  13          3HG1      VAL  13  -6.541 -13.156  -2.783
  322   HG21  VAL  13          3HG2      VAL  13  -6.084 -10.163  -4.853
  323   HG22  VAL  13          1HG2      VAL  13  -5.122  -9.252  -3.689
  324   HG23  VAL  13          2HG2      VAL  13  -6.846  -9.492  -3.410
  325    H    GLY  14           H        GLY  14  -4.801  -8.599  -1.917
  326    HA2  GLY  14           2HA      GLY  14  -2.784  -7.896  -0.327
  327    HA3  GLY  14           1HA      GLY  14  -1.959  -8.956  -1.440
  328    H    CYS  15           H        CYS  15  -1.118  -6.474  -1.336
  329    HA   CYS  15           HA       CYS  15  -2.001  -5.394  -3.896
  330    HB2  CYS  15           2HB      CYS  15  -1.857  -3.128  -2.980
  331    HB3  CYS  15           1HB      CYS  15  -3.177  -4.066  -2.307
  332    H    THR  16           H        THR  16  -0.421  -3.946  -4.822
  333    HA   THR  16           HA       THR  16   2.200  -4.756  -4.022
  334    HB   THR  16           HB       THR  16   2.811  -3.590  -6.239
  335    HG1  THR  16           1HG      THR  16   0.375  -4.168  -7.283
  336   HG21  THR  16          3HG2      THR  16   2.166  -5.609  -7.530
  337   HG22  THR  16          1HG2      THR  16   1.141  -6.110  -6.187
  338   HG23  THR  16          2HG2      THR  16   2.894  -5.996  -5.975
  339    H    LYS  17           H        LYS  17   3.772  -3.371  -3.661
  340    HA   LYS  17           HA       LYS  17   3.154  -1.102  -1.982
  341    HB2  LYS  17           2HB      LYS  17   5.161  -2.692  -2.014
  342    HB3  LYS  17           1HB      LYS  17   5.834  -1.686  -3.279
  343    HG2  LYS  17           2HG      LYS  17   6.901  -1.016  -1.427
  344    HG3  LYS  17           1HG      LYS  17   5.629   0.214  -1.554
  345    HD2  LYS  17           2HD      LYS  17   4.409  -0.837   0.234
  346    HD3  LYS  17           1HD      LYS  17   5.470  -2.251   0.198
  347    HE2  LYS  17           2HE      LYS  17   7.368  -0.841   0.853
  348    HE3  LYS  17           1HE      LYS  17   6.325   0.564   0.927
  349    HZ1  LYS  17           3HZ      LYS  17   6.725  -0.311   3.087
  350    HZ2  LYS  17           1HZ      LYS  17   6.198  -1.843   2.668
  351    HZ3  LYS  17           2HZ      LYS  17   5.100  -0.567   2.771
  352    H    ARG  18           H        ARG  18   4.215  -1.337  -5.345
  353    HA   ARG  18           HA       ARG  18   4.405   1.457  -5.821
  354    HB2  ARG  18           2HB      ARG  18   3.588  -0.687  -7.786
  355    HB3  ARG  18           1HB      ARG  18   4.029   0.954  -8.208
  356    HG2  ARG  18           2HG      ARG  18   6.276   0.514  -7.283
  357    HG3  ARG  18           1HG      ARG  18   5.806  -1.170  -7.048
  358    HD2  ARG  18           2HD      ARG  18   5.976   0.352  -9.643
  359    HD3  ARG  18           1HD      ARG  18   7.023  -0.958  -9.107
  360    HE   ARG  18           HE       ARG  18   4.327  -1.792  -9.182
  361   HH11  ARG  18          1HH1      ARG  18   7.106  -1.178 -11.261
  362   HH12  ARG  18          2HH1      ARG  18   6.525  -2.141 -12.541
  363   HH21  ARG  18          1HH2      ARG  18   3.535  -3.099 -10.945
  364   HH22  ARG  18          2HH2      ARG  18   4.452  -3.219 -12.377
  365    H    SER  19           H        SER  19   1.734  -0.689  -5.516
  366    HA   SER  19           HA       SER  19  -0.042   1.004  -6.915
  367    HB2  SER  19           2HB      SER  19  -0.294  -1.429  -6.867
  368    HB3  SER  19           1HB      SER  19  -0.678  -1.392  -5.164
  369    HG   SER  19           HG       SER  19  -2.559  -1.409  -6.378
  370    H    LEU  20           H        LEU  20   0.672   0.304  -3.497
  371    HA   LEU  20           HA       LEU  20  -1.281   2.265  -2.642
  372    HB2  LEU  20           2HB      LEU  20   1.030   1.878  -0.695
  373    HB3  LEU  20           1HB      LEU  20  -0.631   2.150  -0.500
  374    HG   LEU  20           HG       LEU  20  -1.145  -0.218  -1.110
  375   HD11  LEU  20          1HD1      LEU  20   0.621  -1.826  -0.774
  376   HD12  LEU  20          2HD1      LEU  20   1.787  -0.517  -0.596
  377   HD13  LEU  20          3HD1      LEU  20   0.985  -0.782  -2.149
  378   HD21  LEU  20          3HD2      LEU  20  -0.566  -1.015   1.116
  379   HD22  LEU  20          1HD2      LEU  20  -1.242   0.618   1.152
  380   HD23  LEU  20          2HD2      LEU  20   0.503   0.371   1.319
  381    H    ALA  21           H        ALA  21   1.912   2.364  -3.644
  382    HA   ALA  21           HA       ALA  21   2.443   5.049  -2.884
  383    HB1  ALA  21           1HB      ALA  21   4.357   4.966  -4.354
  384    HB2  ALA  21           2HB      ALA  21   3.708   3.544  -5.166
  385    HB3  ALA  21           3HB      ALA  21   4.229   3.436  -3.485
  386    H    ARG  22           H        ARG  22   0.955   3.700  -5.741
  387    HA   ARG  22           HA       ARG  22   1.027   6.218  -7.114
  388    HB2  ARG  22           2HB      ARG  22  -0.281   5.180  -8.880
  389    HB3  ARG  22           1HB      ARG  22   1.008   4.095  -8.385
  390    HG2  ARG  22           2HG      ARG  22  -0.637   2.847  -7.025
  391    HG3  ARG  22           1HG      ARG  22  -1.894   3.903  -7.644
  392    HD2  ARG  22           2HD      ARG  22  -1.423   3.186  -9.923
  393    HD3  ARG  22           1HD      ARG  22  -0.130   2.144  -9.334
  394    HE   ARG  22           HE       ARG  22  -2.070   1.090  -7.984
  395   HH11  ARG  22          1HH1      ARG  22  -2.250   2.225 -11.350
  396   HH12  ARG  22          2HH1      ARG  22  -3.486   1.141 -11.786
  397   HH21  ARG  22          1HH2      ARG  22  -3.744  -0.414  -8.626
  398   HH22  ARG  22          2HH2      ARG  22  -4.337  -0.375 -10.229
  399    H    PHE  23           H        PHE  23  -1.030   4.795  -4.858
  400    HA   PHE  23           HA       PHE  23  -3.166   6.655  -5.550
  401    HB2  PHE  23           2HB      PHE  23  -3.151   4.300  -3.689
  402    HB3  PHE  23           1HB      PHE  23  -4.476   5.454  -3.732
  403    HD1  PHE  23           1HD      PHE  23  -5.350   5.924  -6.233
  404    HD2  PHE  23           2HD      PHE  23  -3.369   2.390  -4.954
  405    HE1  PHE  23           1HE      PHE  23  -6.348   4.684  -8.107
  406    HE2  PHE  23           2HE      PHE  23  -4.368   1.147  -6.812
  407    HZ   PHE  23           HZ       PHE  23  -5.857   2.292  -8.395
  408    H    CYS  24           H        CYS  24  -1.190   5.761  -2.896
  409    HA   CYS  24           HA       CYS  24  -0.284   6.899  -1.179
  410    HB2  CYS  24           2HB      CYS  24   0.282   8.621  -2.905
  411    HB3  CYS  24           1HB      CYS  24  -1.242   9.427  -2.563
  412    HN1  NH2  25           HT1      CYS  24  -1.651   6.019   0.276
  413    HN2  NH2  25           HT2      CYS  24  -2.998   6.852   0.970
  Start of MODEL    8
    1    H1   ASP   1           1HT      ASP   1  14.287   3.416  -2.608
    2    H2   ASP   1           2HT      ASP   1  15.015   2.060  -3.239
    3    H3   ASP   1           3HT      ASP   1  14.089   1.929  -1.838
    4    HA   ASP   1           HA       ASP   1  12.097   2.592  -3.112
    5    HB2  ASP   1           2HB      ASP   1  14.010   2.487  -5.453
    6    HB3  ASP   1           1HB      ASP   1  12.258   2.479  -5.588
    7    H    SER   2           H        SER   2  14.475   0.082  -3.127
    8    HA   SER   2           HA       SER   2  13.054  -1.770  -4.675
    9    HB2  SER   2           2HB      SER   2  15.067  -2.291  -2.478
   10    HB3  SER   2           1HB      SER   2  14.597  -3.426  -3.746
   11    HG   SER   2           HG       SER   2  15.722  -2.348  -5.181
   12    H    TRP   3           H        TRP   3  12.483  -0.564  -1.806
   13    HA   TRP   3           HA       TRP   3  10.959  -2.713  -0.605
   14    HB2  TRP   3           2HB      TRP   3  10.246  -0.965   1.051
   15    HB3  TRP   3           1HB      TRP   3  11.985  -1.169   0.930
   16    HD1  TRP   3           HD       TRP   3  13.369   0.986   0.515
   17    HE1  TRP   3           1HE      TRP   3  12.822   3.450  -0.052
   18    HE3  TRP   3           3HE      TRP   3   8.363   0.548  -0.341
   19    HZ2  TRP   3           2HZ      TRP   3  10.570   4.980  -0.762
   20    HZ3  TRP   3           3HZ      TRP   3   7.093   2.472  -0.977
   21    HH2  TRP   3           HH       TRP   3   8.163   4.710  -1.178
   22    H    MET   4           H        MET   4  10.436  -0.572  -3.121
   23    HA   MET   4           HA       MET   4   7.609  -0.202  -2.595
   24    HB2  MET   4           2HB      MET   4   8.973   1.740  -3.264
   25    HB3  MET   4           1HB      MET   4   9.353   0.931  -4.775
   26    HG2  MET   4           2HG      MET   4   7.045   1.019  -5.438
   27    HG3  MET   4           1HG      MET   4   6.599   1.741  -3.895
   28    HE1  MET   4           3HE      MET   4   9.301   3.873  -6.978
   29    HE2  MET   4           1HE      MET   4   8.740   2.215  -7.158
   30    HE3  MET   4           2HE      MET   4   9.910   2.624  -5.898
   31    H    GLU   5           H        GLU   5   9.792  -1.830  -4.808
   32    HA   GLU   5           HA       GLU   5   7.565  -3.012  -6.216
   33    HB2  GLU   5           2HB      GLU   5  10.494  -3.832  -6.195
   34    HB3  GLU   5           1HB      GLU   5   9.276  -4.506  -7.255
   35    HG2  GLU   5           2HG      GLU   5  10.591  -2.995  -8.532
   36    HG3  GLU   5           1HG      GLU   5   9.035  -2.219  -8.261
   37    H    GLU   6           H        GLU   6   6.366  -3.894  -4.643
   38    HA   GLU   6           HA       GLU   6   7.313  -6.244  -3.273
   39    HB2  GLU   6           2HB      GLU   6   8.038  -4.027  -1.986
   40    HB3  GLU   6           1HB      GLU   6   6.327  -3.919  -1.735
   41    HG2  GLU   6           2HG      GLU   6   6.191  -5.812  -0.402
   42    HG3  GLU   6           1HG      GLU   6   7.823  -6.329  -0.825
   43    H    VAL   7           H        VAL   7   5.488  -7.092  -2.092
   44    HA   VAL   7           HA       VAL   7   2.895  -5.952  -2.614
   45    HB   VAL   7           HB       VAL   7   3.133  -7.498  -4.517
   46   HG11  VAL   7          1HG1      VAL   7   3.444  -9.902  -4.225
   47   HG12  VAL   7          2HG1      VAL   7   3.701  -9.647  -2.499
   48   HG13  VAL   7          3HG1      VAL   7   4.835  -8.969  -3.670
   49   HG21  VAL   7          3HG2      VAL   7   0.905  -7.359  -3.542
   50   HG22  VAL   7          1HG2      VAL   7   1.293  -8.658  -2.417
   51   HG23  VAL   7          2HG2      VAL   7   1.201  -8.988  -4.145
   52    H    ILE   8           H        ILE   8   1.622  -6.111  -0.928
   53    HA   ILE   8           HA       ILE   8   2.379  -7.962   1.181
   54    HB   ILE   8           HB       ILE   8   2.031  -6.332   2.940
   55   HG12  ILE   8          2HG1      ILE   8   0.412  -4.805   1.790
   56   HG13  ILE   8          1HG1      ILE   8   1.696  -3.942   2.616
   57   HG21  ILE   8          1HG2      ILE   8   4.278  -6.582   2.231
   58   HG22  ILE   8          2HG2      ILE   8   3.990  -4.896   2.663
   59   HG23  ILE   8          3HG2      ILE   8   4.064  -5.370   0.966
   60   HD11  ILE   8          3HD1      ILE   8   2.803  -3.599   0.436
   61   HD12  ILE   8          1HD1      ILE   8   1.187  -2.897   0.517
   62   HD13  ILE   8          2HD1      ILE   8   1.445  -4.408  -0.349
   63    H    LYS   9           H        LYS   9   0.597  -8.171   2.805
   64    HA   LYS   9           HA       LYS   9  -1.988  -7.561   1.597
   65    HB2  LYS   9           2HB      LYS   9  -1.422  -9.975   1.297
   66    HB3  LYS   9           1HB      LYS   9  -1.278 -10.128   3.040
   67    HG2  LYS   9           2HG      LYS   9  -3.619  -9.738   3.337
   68    HG3  LYS   9           1HG      LYS   9  -3.815  -9.304   1.640
   69    HD2  LYS   9           2HD      LYS   9  -4.626 -11.553   1.982
   70    HD3  LYS   9           1HD      LYS   9  -3.155 -11.608   1.015
   71    HE2  LYS   9           2HE      LYS   9  -1.886 -12.148   3.090
   72    HE3  LYS   9           1HE      LYS   9  -3.418 -12.209   3.959
   73    HZ1  LYS   9           3HZ      LYS   9  -4.106 -13.997   2.369
   74    HZ2  LYS   9           1HZ      LYS   9  -2.781 -14.412   3.327
   75    HZ3  LYS   9           2HZ      LYS   9  -2.556 -13.966   1.733
   76    H    LEU  10           H        LEU  10  -2.324  -5.830   2.814
   77    HA   LEU  10           HA       LEU  10  -2.571  -6.168   5.735
   78    HB2  LEU  10           2HB      LEU  10  -1.464  -3.863   4.174
   79    HB3  LEU  10           1HB      LEU  10  -2.290  -3.576   5.675
   80    HG   LEU  10           HG       LEU  10  -0.704  -4.896   6.885
   81   HD11  LEU  10          1HD1      LEU  10   0.735  -5.196   4.247
   82   HD12  LEU  10          2HD1      LEU  10  -0.018  -6.496   5.178
   83   HD13  LEU  10          3HD1      LEU  10   1.401  -5.652   5.815
   84   HD21  LEU  10          3HD2      LEU  10   0.623  -2.848   5.141
   85   HD22  LEU  10          1HD2      LEU  10   1.245  -3.436   6.680
   86   HD23  LEU  10          2HD2      LEU  10  -0.273  -2.536   6.624
   87    H    CYS  11           H        CYS  11  -3.927  -4.294   6.574
   88    HA   CYS  11           HA       CYS  11  -6.230  -3.802   4.837
   89    HB2  CYS  11           2HB      CYS  11  -6.316  -5.203   7.389
   90    HB3  CYS  11           1HB      CYS  11  -7.788  -4.811   6.491
   91    H    GLY  12           H        GLY  12  -7.711  -2.356   5.868
   92    HA2  GLY  12           2HA      GLY  12  -8.349  -0.485   7.083
   93    HA3  GLY  12           1HA      GLY  12  -7.887  -1.484   8.430
   94    H    ARG  13           H        ARG  13  -6.754  -0.529   9.727
   95    HA   ARG  13           HA       ARG  13  -5.496   1.973   9.386
   96    HB2  ARG  13           2HB      ARG  13  -6.327   1.187  11.549
   97    HB3  ARG  13           1HB      ARG  13  -5.120  -0.090  11.559
   98    HG2  ARG  13           2HG      ARG  13  -3.361   1.681  11.568
   99    HG3  ARG  13           1HG      ARG  13  -4.650   2.874  11.754
  100    HD2  ARG  13           2HD      ARG  13  -3.682   2.295  13.922
  101    HD3  ARG  13           1HD      ARG  13  -5.365   1.770  13.816
  102    HE   ARG  13           HE       ARG  13  -3.726  -0.339  12.977
  103   HH11  ARG  13          1HH1      ARG  13  -4.415   1.353  16.006
  104   HH12  ARG  13          2HH1      ARG  13  -4.101  -0.016  16.971
  105   HH21  ARG  13          1HH2      ARG  13  -3.327  -2.103  14.211
  106   HH22  ARG  13          2HH2      ARG  13  -3.443  -2.086  15.920
  107    H    GLU  14           H        GLU  14  -4.232  -1.376   9.259
  108    HA   GLU  14           HA       GLU  14  -1.512  -0.559   9.447
  109    HB2  GLU  14           2HB      GLU  14  -2.893  -3.122   8.666
  110    HB3  GLU  14           1HB      GLU  14  -1.154  -2.947   8.557
  111    HG2  GLU  14           2HG      GLU  14  -1.847  -4.100  10.605
  112    HG3  GLU  14           1HG      GLU  14  -1.010  -2.594  10.952
  113    H    LEU  15           H        LEU  15  -3.833  -1.058   6.998
  114    HA   LEU  15           HA       LEU  15  -2.143  -1.147   4.727
  115    HB2  LEU  15           2HB      LEU  15  -4.661  -1.659   5.058
  116    HB3  LEU  15           1HB      LEU  15  -4.875   0.056   4.800
  117    HG   LEU  15           HG       LEU  15  -3.696  -0.246   2.595
  118   HD11  LEU  15          1HD1      LEU  15  -2.594  -2.325   3.077
  119   HD12  LEU  15          2HD1      LEU  15  -3.751  -2.598   1.762
  120   HD13  LEU  15          3HD1      LEU  15  -4.142  -3.079   3.425
  121   HD21  LEU  15          3HD2      LEU  15  -5.662  -1.143   1.514
  122   HD22  LEU  15          1HD2      LEU  15  -6.127  -0.025   2.800
  123   HD23  LEU  15          2HD2      LEU  15  -6.243  -1.769   3.062
  124    H    VAL  16           H        VAL  16  -3.868   1.398   6.455
  125    HA   VAL  16           HA       VAL  16  -3.050   3.558   4.766
  126    HB   VAL  16           HB       VAL  16  -4.166   3.568   7.599
  127   HG11  VAL  16          1HG1      VAL  16  -3.892   5.853   5.644
  128   HG12  VAL  16          2HG1      VAL  16  -3.003   5.653   7.157
  129   HG13  VAL  16          3HG1      VAL  16  -4.747   5.912   7.187
  130   HG21  VAL  16          3HG2      VAL  16  -6.285   4.186   6.507
  131   HG22  VAL  16          1HG2      VAL  16  -5.708   2.594   6.006
  132   HG23  VAL  16          2HG2      VAL  16  -5.514   3.982   4.936
  133    H    ARG  17           H        ARG  17  -1.884   2.171   7.742
  134    HA   ARG  17           HA       ARG  17   0.158   3.996   8.276
  135    HB2  ARG  17           2HB      ARG  17  -0.041   1.051   8.845
  136    HB3  ARG  17           1HB      ARG  17   1.277   2.026   9.456
  137    HG2  ARG  17           2HG      ARG  17  -1.642   2.425  10.064
  138    HG3  ARG  17           1HG      ARG  17  -0.458   1.659  11.122
  139    HD2  ARG  17           2HD      ARG  17   0.803   3.740  11.222
  140    HD3  ARG  17           1HD      ARG  17  -0.363   4.513  10.152
  141    HE   ARG  17           HE       ARG  17  -2.027   4.162  11.850
  142   HH11  ARG  17          1HH1      ARG  17   1.392   4.154  12.837
  143   HH12  ARG  17          2HH1      ARG  17   1.083   4.511  14.462
  144   HH21  ARG  17          1HH2      ARG  17  -2.456   4.680  14.153
  145   HH22  ARG  17          2HH2      ARG  17  -1.137   4.797  15.224
  146    H    ALA  18           H        ALA  18   0.140   1.163   6.261
  147    HA   ALA  18           HA       ALA  18   2.850   1.303   5.454
  148    HB1  ALA  18           1HB      ALA  18   2.201  -0.164   3.594
  149    HB2  ALA  18           2HB      ALA  18   0.500   0.150   3.938
  150    HB3  ALA  18           3HB      ALA  18   1.492  -0.716   5.111
  151    H    GLN  19           H        GLN  19  -0.122   2.546   4.059
  152    HA   GLN  19           HA       GLN  19   0.766   3.798   1.765
  153    HB2  GLN  19           2HB      GLN  19  -1.377   4.496   3.721
  154    HB3  GLN  19           1HB      GLN  19  -1.230   5.395   2.241
  155    HG2  GLN  19           2HG      GLN  19  -1.446   3.230   1.035
  156    HG3  GLN  19           1HG      GLN  19  -1.744   2.452   2.588
  157   HE21  GLN  19          1HE2      GLN  19  -3.333   2.532   0.279
  158   HE22  GLN  19          2HE2      GLN  19  -4.846   3.231   0.681
  159    H    ILE  20           H        ILE  20   0.175   5.353   4.869
  160    HA   ILE  20           HA       ILE  20   1.316   7.845   4.435
  161    HB   ILE  20           HB       ILE  20   1.148   6.261   7.015
  162   HG12  ILE  20          2HG1      ILE  20  -0.607   8.470   5.923
  163   HG13  ILE  20          1HG1      ILE  20  -1.000   6.755   5.913
  164   HG21  ILE  20          1HG2      ILE  20   1.418   8.377   8.222
  165   HG22  ILE  20          2HG2      ILE  20   1.708   9.209   6.696
  166   HG23  ILE  20          3HG2      ILE  20   2.853   7.995   7.268
  167   HD11  ILE  20          3HD1      ILE  20  -0.996   6.753   8.361
  168   HD12  ILE  20          1HD1      ILE  20  -2.151   7.910   7.699
  169   HD13  ILE  20          2HD1      ILE  20  -0.613   8.475   8.352
  170    H    ALA  21           H        ALA  21   2.892   4.862   5.383
  171    HA   ALA  21           HA       ALA  21   5.417   5.993   5.975
  172    HB1  ALA  21           1HB      ALA  21   4.714   3.171   5.200
  173    HB2  ALA  21           2HB      ALA  21   4.752   3.813   6.842
  174    HB3  ALA  21           3HB      ALA  21   6.245   3.685   5.907
  175    H    ILE  22           H        ILE  22   3.894   5.003   3.031
  176    HA   ILE  22           HA       ILE  22   6.349   5.149   1.470
  177    HB   ILE  22           HB       ILE  22   3.461   4.852   0.578
  178   HG12  ILE  22          2HG1      ILE  22   5.576   2.706   0.814
  179   HG13  ILE  22          1HG1      ILE  22   4.306   2.980   2.002
  180   HG21  ILE  22          1HG2      ILE  22   4.405   4.069  -1.535
  181   HG22  ILE  22          2HG2      ILE  22   6.030   4.410  -0.940
  182   HG23  ILE  22          3HG2      ILE  22   4.885   5.730  -1.188
  183   HD11  ILE  22          3HD1      ILE  22   3.897   2.205  -0.878
  184   HD12  ILE  22          1HD1      ILE  22   2.625   2.512   0.304
  185   HD13  ILE  22          2HD1      ILE  22   3.723   1.154   0.531
  186    H    CYS  23           H        CYS  23   3.566   7.087   2.275
  187    HA   CYS  23           HA       CYS  23   3.849   8.992   0.174
  188    HB2  CYS  23           2HB      CYS  23   2.401   8.991   2.776
  189    HB3  CYS  23           1HB      CYS  23   2.363  10.356   1.677
  190    H    GLY  24           H        GLY  24   5.114   8.696   3.338
  191    HA2  GLY  24           2HA      GLY  24   6.634  11.162   2.886
  192    HA3  GLY  24           1HA      GLY  24   6.378  10.418   4.474
  193    H    MET  25           H        MET  25   7.554   8.813   5.102
  194    HA   MET  25           HA       MET  25   8.862   6.929   3.611
  195    HB2  MET  25           2HB      MET  25  10.392   8.688   2.854
  196    HB3  MET  25           1HB      MET  25  10.799   9.076   4.525
  197    HG2  MET  25           2HG      MET  25  12.541   7.720   3.512
  198    HG3  MET  25           1HG      MET  25  11.740   6.839   4.805
  199    HE1  MET  25           3HE      MET  25  12.874   4.602   3.870
  200    HE2  MET  25           1HE      MET  25  13.615   5.518   2.557
  201    HE3  MET  25           2HE      MET  25  12.706   4.049   2.202
  202    H    SER  26           H        SER  26   8.010   5.721   5.124
  203    HA   SER  26           HA       SER  26   9.607   5.602   7.557
  204    HB2  SER  26           2HB      SER  26   7.495   6.769   8.173
  205    HB3  SER  26           1HB      SER  26   6.572   5.410   7.541
  206    HG   SER  26           HG       SER  26   7.875   4.149   9.090
  207    H    THR  27           H        THR  27   9.094   4.191   4.876
  208    HA   THR  27           HA       THR  27   8.326   1.547   5.563
  209    HB   THR  27           HB       THR  27  10.090   2.423   3.262
  210    HG1  THR  27           1HG      THR  27   7.243   2.280   3.325
  211   HG21  THR  27          3HG2      THR  27   9.091   0.512   2.108
  212   HG22  THR  27          1HG2      THR  27   8.117   0.150   3.530
  213   HG23  THR  27          2HG2      THR  27   9.872  -0.015   3.600
  214    H    TRP  28           H        TRP  28  11.034   3.357   5.433
  215    HA   TRP  28           HA       TRP  28  12.678   1.728   7.128
  216    HB2  TRP  28           2HB      TRP  28  13.596   2.429   4.306
  217    HB3  TRP  28           1HB      TRP  28  14.656   1.857   5.583
  218    HD1  TRP  28           HD       TRP  28  12.645   0.645   2.750
  219    HE1  TRP  28           1HE      TRP  28  12.436  -1.923   2.808
  220    HE3  TRP  28           3HE      TRP  28  14.326  -0.211   7.497
  221    HZ2  TRP  28           2HZ      TRP  28  12.909  -4.016   4.614
  222    HZ3  TRP  28           3HZ      TRP  28  14.407  -2.528   8.313
  223    HH2  TRP  28           HH       TRP  28  13.715  -4.388   6.905
  224    H    SER  29           H        SER  29  14.877   3.127   7.284
  225    HA   SER  29           HA       SER  29  14.004   5.740   8.022
  226    HB2  SER  29           2HB      SER  29  16.792   4.586   7.982
  227    HB3  SER  29           1HB      SER  29  16.239   5.984   8.906
  228    HG   SER  29           HG       SER  29  16.268   4.212  10.241
  229    HN1  NH2  30           HT1      SER  29  13.575   6.999   6.333
  230    HN2  NH2  30           HT2      SER  29  14.643   7.354   5.009
  231    HA   PCA   1           HA       PCA   1 -13.661   4.189  -5.299
  232    HB2  PCA   1           2HB      PCA   1 -14.173   1.577  -6.247
  233    HB3  PCA   1           1HB      PCA   1 -15.412   2.816  -5.906
  234    HG2  PCA   1           2HG      PCA   1 -14.482   1.816  -8.485
  235    HG3  PCA   1           1HG      PCA   1 -15.820   2.967  -8.152
  236    H    LEU   2           H        LEU   2 -11.262   4.283  -6.759
  237    HA   LEU   2           HA       LEU   2  -9.799   1.793  -6.567
  238    HB2  LEU   2           2HB      LEU   2  -8.792   4.584  -6.999
  239    HB3  LEU   2           1HB      LEU   2  -7.798   3.142  -7.070
  240    HG   LEU   2           HG       LEU   2 -10.112   3.754  -8.916
  241   HD11  LEU   2          1HD1      LEU   2  -7.148   3.778  -9.434
  242   HD12  LEU   2          2HD1      LEU   2  -8.180   5.201  -9.299
  243   HD13  LEU   2          3HD1      LEU   2  -8.416   4.062 -10.625
  244   HD21  LEU   2          3HD2      LEU   2  -9.859   1.356  -8.592
  245   HD22  LEU   2          1HD2      LEU   2  -8.127   1.478  -8.914
  246   HD23  LEU   2          2HD2      LEU   2  -9.288   1.815 -10.192
  247    H    TYR   3           H        TYR   3 -10.282   4.322  -4.357
  248    HA   TYR   3           HA       TYR   3  -8.139   3.425  -2.711
  249    HB2  TYR   3           2HB      TYR   3  -9.552   5.730  -2.798
  250    HB3  TYR   3           1HB      TYR   3 -10.311   4.928  -1.416
  251    HD1  TYR   3           1HD      TYR   3  -7.024   5.709  -2.855
  252    HD2  TYR   3           2HD      TYR   3  -9.281   5.059   0.673
  253    HE1  TYR   3           1HE      TYR   3  -5.100   6.289  -1.581
  254    HE2  TYR   3           2HE      TYR   3  -7.336   5.660   2.033
  255    HH   TYR   3           HH       TYR   3  -4.823   5.670   1.749
  256    H    SER   4           H        SER   4 -11.623   2.930  -2.800
  257    HA   SER   4           HA       SER   4 -11.733   1.247  -0.518
  258    HB2  SER   4           2HB      SER   4 -13.629   1.455  -2.875
  259    HB3  SER   4           1HB      SER   4 -13.988   0.687  -1.328
  260    HG   SER   4           HG       SER   4 -14.480   2.527  -0.596
  261    H    ALA   5           H        ALA   5 -11.346   0.755  -3.985
  262    HA   ALA   5           HA       ALA   5 -11.474  -2.022  -4.060
  263    HB1  ALA   5           1HB      ALA   5 -10.256  -1.868  -6.169
  264    HB2  ALA   5           2HB      ALA   5  -9.779  -0.216  -5.789
  265    HB3  ALA   5           3HB      ALA   5 -11.478  -0.597  -6.080
  266    H    LEU   6           H        LEU   6  -8.639   0.105  -3.758
  267    HA   LEU   6           HA       LEU   6  -6.706  -1.872  -3.436
  268    HB2  LEU   6           2HB      LEU   6  -6.210   0.519  -3.792
  269    HB3  LEU   6           1HB      LEU   6  -6.826   0.889  -2.199
  270    HG   LEU   6           HG       LEU   6  -4.969  -0.455  -1.219
  271   HD11  LEU   6          1HD1      LEU   6  -4.034  -0.558  -4.066
  272   HD12  LEU   6          2HD1      LEU   6  -4.508  -1.929  -3.058
  273   HD13  LEU   6          3HD1      LEU   6  -3.061  -1.000  -2.664
  274   HD21  LEU   6          3HD2      LEU   6  -4.170   1.815  -3.033
  275   HD22  LEU   6          1HD2      LEU   6  -3.205   1.206  -1.688
  276   HD23  LEU   6          2HD2      LEU   6  -4.768   1.956  -1.382
  277    H    ALA   7           H        ALA   7  -8.760  -0.297  -1.025
  278    HA   ALA   7           HA       ALA   7  -7.654  -1.420   1.280
  279    HB1  ALA   7           1HB      ALA   7 -10.543  -0.687   0.802
  280    HB2  ALA   7           2HB      ALA   7  -9.277   0.426   1.318
  281    HB3  ALA   7           3HB      ALA   7  -9.773  -0.896   2.374
  282    H    ASN   8           H        ASN   8 -10.416  -2.536  -0.605
  283    HA   ASN   8           HA       ASN   8 -10.754  -4.936   0.870
  284    HB2  ASN   8           2HB      ASN   8 -11.736  -4.148  -1.879
  285    HB3  ASN   8           1HB      ASN   8 -12.099  -5.705  -1.152
  286   HD21  ASN   8          1HD2      ASN   8 -12.692  -2.287  -1.035
  287   HD22  ASN   8          2HD2      ASN   8 -14.061  -2.350  -0.008
  288    H    LYS   9           H        LYS   9  -9.336  -4.350  -2.317
  289    HA   LYS   9           HA       LYS   9  -8.666  -6.977  -2.901
  290    HB2  LYS   9           2HB      LYS   9  -7.499  -4.382  -3.795
  291    HB3  LYS   9           1HB      LYS   9  -6.946  -5.883  -4.484
  292    HG2  LYS   9           2HG      LYS   9  -9.282  -6.335  -5.205
  293    HG3  LYS   9           1HG      LYS   9  -9.755  -4.765  -4.554
  294    HD2  LYS   9           2HD      LYS   9  -9.444  -4.527  -6.914
  295    HD3  LYS   9           1HD      LYS   9  -8.097  -3.725  -6.111
  296    HE2  LYS   9           2HE      LYS   9  -7.286  -5.000  -8.003
  297    HE3  LYS   9           1HE      LYS   9  -6.703  -5.724  -6.511
  298    HZ1  LYS   9           3HZ      LYS   9  -8.456  -7.417  -6.715
  299    HZ2  LYS   9           1HZ      LYS   9  -7.492  -7.375  -8.097
  300    HZ3  LYS   9           2HZ      LYS   9  -9.009  -6.669  -8.112
  301    H    CYS  10           H        CYS  10  -6.678  -4.557  -1.240
  302    HA   CYS  10           HA       CYS  10  -4.415  -6.325  -1.100
  303    HB2  CYS  10           2HB      CYS  10  -4.444  -3.744  -0.978
  304    HB3  CYS  10           1HB      CYS  10  -4.957  -3.971   0.684
  305    H    CYS  11           H        CYS  11  -7.261  -5.777   0.873
  306    HA   CYS  11           HA       CYS  11  -6.174  -7.116   3.134
  307    HB2  CYS  11           2HB      CYS  11  -8.170  -5.460   3.067
  308    HB3  CYS  11           1HB      CYS  11  -9.096  -6.839   2.524
  309    H    HIS  12           H        HIS  12  -8.019  -8.090   0.290
  310    HA   HIS  12           HA       HIS  12  -8.424 -10.785   1.321
  311    HB2  HIS  12           2HB      HIS  12  -9.054  -9.591  -1.375
  312    HB3  HIS  12           1HB      HIS  12  -9.395 -11.254  -0.948
  313    HD1  HIS  12           1HD      HIS  12 -11.727 -11.602   0.126
  314    HD2  HIS  12           2HD      HIS  12 -10.354  -7.738   0.137
  315    HE1  HIS  12           1HE      HIS  12 -13.658 -10.236   1.000
  316    H    VAL  13           H        VAL  13  -6.833  -9.350  -1.428
  317    HA   VAL  13           HA       VAL  13  -5.419 -11.860  -1.827
  318    HB   VAL  13           HB       VAL  13  -6.990 -10.359  -3.446
  319   HG11  VAL  13          1HG1      VAL  13  -5.501  -8.633  -3.903
  320   HG12  VAL  13          2HG1      VAL  13  -5.705  -9.594  -5.368
  321   HG13  VAL  13          3HG1      VAL  13  -4.233  -9.756  -4.401
  322   HG21  VAL  13          3HG2      VAL  13  -6.688 -12.614  -3.669
  323   HG22  VAL  13          1HG2      VAL  13  -5.004 -12.451  -4.199
  324   HG23  VAL  13          2HG2      VAL  13  -6.334 -11.858  -5.226
  325    H    GLY  14           H        GLY  14  -4.949  -8.393  -1.671
  326    HA2  GLY  14           2HA      GLY  14  -2.872  -7.738  -0.409
  327    HA3  GLY  14           1HA      GLY  14  -2.041  -8.843  -1.480
  328    H    CYS  15           H        CYS  15  -1.149  -6.336  -1.419
  329    HA   CYS  15           HA       CYS  15  -1.910  -5.392  -4.058
  330    HB2  CYS  15           2HB      CYS  15  -1.962  -3.085  -3.264
  331    HB3  CYS  15           1HB      CYS  15  -3.258  -4.062  -2.603
  332    H    THR  16           H        THR  16  -0.329  -3.946  -4.932
  333    HA   THR  16           HA       THR  16   2.281  -4.641  -4.021
  334    HB   THR  16           HB       THR  16   2.958  -3.324  -6.104
  335    HG1  THR  16           1HG      THR  16   0.468  -3.727  -7.204
  336   HG21  THR  16          3HG2      THR  16   2.364  -5.180  -7.615
  337   HG22  THR  16          1HG2      THR  16   1.201  -5.767  -6.424
  338   HG23  THR  16          2HG2      THR  16   2.927  -5.766  -6.052
  339    H    LYS  17           H        LYS  17   3.739  -3.235  -3.405
  340    HA   LYS  17           HA       LYS  17   2.939  -0.981  -1.785
  341    HB2  LYS  17           2HB      LYS  17   5.097  -2.568  -1.906
  342    HB3  LYS  17           1HB      LYS  17   5.801  -1.210  -2.744
  343    HG2  LYS  17           2HG      LYS  17   6.432  -1.033  -0.535
  344    HG3  LYS  17           1HG      LYS  17   5.148   0.168  -0.732
  345    HD2  LYS  17           2HD      LYS  17   3.561  -1.278   0.341
  346    HD3  LYS  17           1HD      LYS  17   4.702  -2.623   0.312
  347    HE2  LYS  17           2HE      LYS  17   5.063  -0.063   1.840
  348    HE3  LYS  17           1HE      LYS  17   4.524  -1.592   2.537
  349    HZ1  LYS  17           3HZ      LYS  17   6.862  -1.337   2.924
  350    HZ2  LYS  17           1HZ      LYS  17   7.176  -1.078   1.275
  351    HZ3  LYS  17           2HZ      LYS  17   6.647  -2.575   1.787
  352    H    ARG  18           H        ARG  18   4.257  -1.302  -5.011
  353    HA   ARG  18           HA       ARG  18   4.456   1.368  -5.771
  354    HB2  ARG  18           2HB      ARG  18   3.963  -1.176  -7.204
  355    HB3  ARG  18           1HB      ARG  18   3.596   0.308  -8.061
  356    HG2  ARG  18           2HG      ARG  18   6.265  -0.427  -6.883
  357    HG3  ARG  18           1HG      ARG  18   5.816  -0.539  -8.587
  358    HD2  ARG  18           2HD      ARG  18   6.039   1.976  -6.918
  359    HD3  ARG  18           1HD      ARG  18   7.025   1.500  -8.295
  360    HE   ARG  18           HE       ARG  18   4.719   1.614  -9.487
  361   HH11  ARG  18          1HH1      ARG  18   5.968   3.887  -7.045
  362   HH12  ARG  18          2HH1      ARG  18   5.113   5.228  -7.637
  363   HH21  ARG  18          1HH2      ARG  18   3.532   3.467 -10.297
  364   HH22  ARG  18          2HH2      ARG  18   3.703   4.990  -9.537
  365    H    SER  19           H        SER  19   1.650  -0.633  -5.347
  366    HA   SER  19           HA       SER  19  -0.108   1.025  -6.837
  367    HB2  SER  19           2HB      SER  19  -0.549  -1.350  -6.624
  368    HB3  SER  19           1HB      SER  19  -0.644  -1.251  -4.883
  369    HG   SER  19           HG       SER  19  -2.665  -0.758  -5.134
  370    H    LEU  20           H        LEU  20   0.548   0.485  -3.378
  371    HA   LEU  20           HA       LEU  20  -1.331   2.520  -2.659
  372    HB2  LEU  20           2HB      LEU  20   0.890   1.934  -0.666
  373    HB3  LEU  20           1HB      LEU  20  -0.750   2.395  -0.460
  374    HG   LEU  20           HG       LEU  20  -1.435   0.065  -1.210
  375   HD11  LEU  20          1HD1      LEU  20   0.740  -0.610  -2.095
  376   HD12  LEU  20          2HD1      LEU  20   0.164  -1.663  -0.813
  377   HD13  LEU  20          3HD1      LEU  20   1.414  -0.466  -0.469
  378   HD21  LEU  20          3HD2      LEU  20  -1.109  -0.822   1.025
  379   HD22  LEU  20          1HD2      LEU  20  -1.626   0.871   1.080
  380   HD23  LEU  20          2HD2      LEU  20   0.075   0.441   1.345
  381    H    ALA  21           H        ALA  21   1.898   2.483  -3.554
  382    HA   ALA  21           HA       ALA  21   2.579   5.145  -2.779
  383    HB1  ALA  21           1HB      ALA  21   3.715   3.593  -5.106
  384    HB2  ALA  21           2HB      ALA  21   4.273   3.430  -3.449
  385    HB3  ALA  21           3HB      ALA  21   4.467   4.969  -4.297
  386    H    ARG  22           H        ARG  22   1.163   3.782  -5.639
  387    HA   ARG  22           HA       ARG  22   1.197   6.105  -7.246
  388    HB2  ARG  22           2HB      ARG  22   0.987   3.862  -8.182
  389    HB3  ARG  22           1HB      ARG  22  -0.538   3.632  -7.349
  390    HG2  ARG  22           2HG      ARG  22  -0.952   4.075  -9.677
  391    HG3  ARG  22           1HG      ARG  22  -1.511   5.427  -8.683
  392    HD2  ARG  22           2HD      ARG  22   0.464   6.709  -9.252
  393    HD3  ARG  22           1HD      ARG  22   1.121   5.350 -10.168
  394    HE   ARG  22           HE       ARG  22  -1.426   6.028 -11.113
  395   HH11  ARG  22          1HH1      ARG  22   1.911   7.296 -11.209
  396   HH12  ARG  22          2HH1      ARG  22   1.669   8.095 -12.692
  397   HH21  ARG  22          1HH2      ARG  22  -1.677   7.109 -13.172
  398   HH22  ARG  22          2HH2      ARG  22  -0.363   7.981 -13.818
  399    H    PHE  23           H        PHE  23  -0.891   4.956  -4.803
  400    HA   PHE  23           HA       PHE  23  -2.912   6.952  -5.501
  401    HB2  PHE  23           2HB      PHE  23  -3.027   4.716  -3.492
  402    HB3  PHE  23           1HB      PHE  23  -4.306   5.905  -3.706
  403    HD1  PHE  23           2HD      PHE  23  -5.030   6.180  -6.268
  404    HD2  PHE  23           1HD      PHE  23  -3.263   2.712  -4.577
  405    HE1  PHE  23           2HE      PHE  23  -5.955   4.830  -8.087
  406    HE2  PHE  23           1HE      PHE  23  -4.185   1.344  -6.392
  407    HZ   PHE  23           HZ       PHE  23  -5.535   2.400  -8.159
  408    H    CYS  24           H        CYS  24  -1.037   5.971  -2.792
  409    HA   CYS  24           HA       CYS  24  -0.245   6.984  -0.969
  410    HB2  CYS  24           2HB      CYS  24   0.700   8.672  -2.491
  411    HB3  CYS  24           1HB      CYS  24  -0.814   9.568  -2.449
  412    HN1  NH2  25           HT1      CYS  24  -1.591   6.383   0.532
  413    HN2  NH2  25           HT2      CYS  24  -3.047   7.199   0.986
  Start of MODEL    9
    1    H1   ASP   1           1HT      ASP   1  15.524   1.749  -3.601
    2    H2   ASP   1           2HT      ASP   1  14.421   1.857  -2.338
    3    H3   ASP   1           3HT      ASP   1  14.941   3.260  -3.144
    4    HA   ASP   1           HA       ASP   1  12.761   2.761  -3.940
    5    HB2  ASP   1           2HB      ASP   1  13.150   2.377  -6.210
    6    HB3  ASP   1           1HB      ASP   1  14.401   3.533  -5.659
    7    H    SER   2           H        SER   2  14.823   0.009  -3.660
    8    HA   SER   2           HA       SER   2  13.412  -1.908  -4.989
    9    HB2  SER   2           2HB      SER   2  15.002  -2.248  -2.449
   10    HB3  SER   2           1HB      SER   2  14.524  -3.570  -3.516
   11    HG   SER   2           HG       SER   2  15.678  -2.594  -5.167
   12    H    TRP   3           H        TRP   3  12.422  -0.408  -2.321
   13    HA   TRP   3           HA       TRP   3  10.510  -2.278  -1.290
   14    HB2  TRP   3           2HB      TRP   3   9.355  -0.247  -0.264
   15    HB3  TRP   3           1HB      TRP   3  11.022  -0.502   0.213
   16    HD1  TRP   3           HD       TRP   3  12.552   1.578   0.030
   17    HE1  TRP   3           1HE      TRP   3  12.393   3.894  -1.086
   18    HE3  TRP   3           3HE      TRP   3   8.181   0.998  -2.518
   19    HZ2  TRP   3           2HZ      TRP   3  10.684   5.283  -2.775
   20    HZ3  TRP   3           3HZ      TRP   3   7.357   2.824  -3.845
   21    HH2  TRP   3           HH       TRP   3   8.577   4.963  -3.991
   22    H    MET   4           H        MET   4  10.569  -0.594  -4.171
   23    HA   MET   4           HA       MET   4   7.823  -0.056  -4.563
   24    HB2  MET   4           2HB      MET   4   8.360   0.243  -6.918
   25    HB3  MET   4           1HB      MET   4   9.594   0.998  -5.926
   26    HG2  MET   4           2HG      MET   4  11.062  -0.931  -6.307
   27    HG3  MET   4           1HG      MET   4   9.801  -1.657  -7.303
   28    HE1  MET   4           3HE      MET   4  11.546  -1.993  -9.231
   29    HE2  MET   4           1HE      MET   4  12.806  -1.246  -8.249
   30    HE3  MET   4           2HE      MET   4  12.535  -0.698  -9.906
   31    H    GLU   5           H        GLU   5   9.746  -2.922  -4.905
   32    HA   GLU   5           HA       GLU   5   7.660  -4.289  -6.407
   33    HB2  GLU   5           2HB      GLU   5  10.448  -5.204  -5.648
   34    HB3  GLU   5           1HB      GLU   5   9.333  -6.087  -6.679
   35    HG2  GLU   5           2HG      GLU   5   9.385  -4.148  -8.265
   36    HG3  GLU   5           1HG      GLU   5  10.628  -3.436  -7.242
   37    H    GLU   6           H        GLU   6   7.653  -3.490  -3.484
   38    HA   GLU   6           HA       GLU   6   7.632  -5.969  -2.053
   39    HB2  GLU   6           2HB      GLU   6   8.229  -3.438  -1.258
   40    HB3  GLU   6           1HB      GLU   6   6.497  -3.432  -1.140
   41    HG2  GLU   6           2HG      GLU   6   6.398  -5.094   0.499
   42    HG3  GLU   6           1HG      GLU   6   8.113  -5.466   0.327
   43    H    VAL   7           H        VAL   7   5.822  -6.693  -1.275
   44    HA   VAL   7           HA       VAL   7   3.212  -5.682  -2.043
   45    HB   VAL   7           HB       VAL   7   3.634  -7.140  -3.960
   46   HG11  VAL   7          1HG1      VAL   7   4.178  -9.350  -1.997
   47   HG12  VAL   7          2HG1      VAL   7   5.347  -8.571  -3.066
   48   HG13  VAL   7          3HG1      VAL   7   4.042  -9.545  -3.745
   49   HG21  VAL   7          3HG2      VAL   7   1.333  -7.156  -3.143
   50   HG22  VAL   7          1HG2      VAL   7   1.710  -8.480  -2.048
   51   HG23  VAL   7          2HG2      VAL   7   1.754  -8.741  -3.789
   52    H    ILE   8           H        ILE   8   1.854  -5.805  -0.457
   53    HA   ILE   8           HA       ILE   8   2.449  -7.751   1.633
   54    HB   ILE   8           HB       ILE   8   1.980  -6.208   3.410
   55   HG12  ILE   8          2HG1      ILE   8   0.399  -4.662   2.204
   56   HG13  ILE   8          1HG1      ILE   8   1.596  -3.825   3.175
   57   HG21  ILE   8          1HG2      ILE   8   3.931  -4.742   3.298
   58   HG22  ILE   8          2HG2      ILE   8   4.085  -5.124   1.583
   59   HG23  ILE   8          3HG2      ILE   8   4.260  -6.399   2.788
   60   HD11  ILE   8          3HD1      ILE   8   1.594  -4.128   0.174
   61   HD12  ILE   8          1HD1      ILE   8   2.874  -3.354   1.115
   62   HD13  ILE   8          2HD1      ILE   8   1.254  -2.670   1.107
   63    H    LYS   9           H        LYS   9   0.684  -8.213   3.067
   64    HA   LYS   9           HA       LYS   9  -1.909  -7.830   1.750
   65    HB2  LYS   9           2HB      LYS   9  -1.029 -10.201   1.732
   66    HB3  LYS   9           1HB      LYS   9  -1.089 -10.174   3.485
   67    HG2  LYS   9           2HG      LYS   9  -3.531  -9.807   3.367
   68    HG3  LYS   9           1HG      LYS   9  -3.436  -9.924   1.609
   69    HD2  LYS   9           2HD      LYS   9  -2.425 -12.194   1.895
   70    HD3  LYS   9           1HD      LYS   9  -2.757 -12.063   3.621
   71    HE2  LYS   9           2HE      LYS   9  -4.801 -11.986   1.403
   72    HE3  LYS   9           1HE      LYS   9  -4.482 -13.349   2.467
   73    HZ1  LYS   9           3HZ      LYS   9  -6.421 -12.143   3.171
   74    HZ2  LYS   9           1HZ      LYS   9  -5.557 -10.699   3.330
   75    HZ3  LYS   9           2HZ      LYS   9  -5.231 -12.018   4.335
   76    H    LEU  10           H        LEU  10  -1.948  -5.896   2.960
   77    HA   LEU  10           HA       LEU  10  -2.556  -6.227   5.819
   78    HB2  LEU  10           2HB      LEU  10  -1.241  -4.003   4.323
   79    HB3  LEU  10           1HB      LEU  10  -2.216  -3.626   5.712
   80    HG   LEU  10           HG       LEU  10  -0.796  -4.887   7.164
   81   HD11  LEU  10          1HD1      LEU  10   0.810  -5.504   4.702
   82   HD12  LEU  10          2HD1      LEU  10  -0.111  -6.682   5.639
   83   HD13  LEU  10          3HD1      LEU  10   1.317  -5.906   6.341
   84   HD21  LEU  10          3HD2      LEU  10   0.870  -3.154   5.364
   85   HD22  LEU  10          1HD2      LEU  10   1.216  -3.554   7.040
   86   HD23  LEU  10          2HD2      LEU  10  -0.191  -2.558   6.634
   87    H    CYS  11           H        CYS  11  -3.944  -4.324   6.484
   88    HA   CYS  11           HA       CYS  11  -6.007  -3.754   4.550
   89    HB2  CYS  11           2HB      CYS  11  -6.462  -5.972   5.128
   90    HB3  CYS  11           1HB      CYS  11  -6.467  -5.643   6.865
   91    H    GLY  12           H        GLY  12  -7.661  -2.555   5.526
   92    HA2  GLY  12           2HA      GLY  12  -8.362  -0.567   6.620
   93    HA3  GLY  12           1HA      GLY  12  -7.927  -1.489   8.032
   94    H    ARG  13           H        ARG  13  -6.844  -0.418   9.305
   95    HA   ARG  13           HA       ARG  13  -5.543   2.051   8.773
   96    HB2  ARG  13           2HB      ARG  13  -5.479   0.313  11.231
   97    HB3  ARG  13           1HB      ARG  13  -4.851   1.953  11.148
   98    HG2  ARG  13           2HG      ARG  13  -7.039   2.827  10.714
   99    HG3  ARG  13           1HG      ARG  13  -7.704   1.199  10.594
  100    HD2  ARG  13           2HD      ARG  13  -8.243   2.145  12.734
  101    HD3  ARG  13           1HD      ARG  13  -7.111   0.814  12.946
  102    HE   ARG  13           HE       ARG  13  -5.694   3.240  12.785
  103   HH11  ARG  13          1HH1      ARG  13  -7.778   1.426  14.987
  104   HH12  ARG  13          2HH1      ARG  13  -7.211   2.214  16.384
  105   HH21  ARG  13          1HH2      ARG  13  -4.974   4.359  14.694
  106   HH22  ARG  13          2HH2      ARG  13  -5.612   3.929  16.219
  107    H    GLU  14           H        GLU  14  -4.440  -1.244   8.824
  108    HA   GLU  14           HA       GLU  14  -1.712  -0.550   9.156
  109    HB2  GLU  14           2HB      GLU  14  -3.028  -3.031   8.121
  110    HB3  GLU  14           1HB      GLU  14  -1.292  -2.853   8.291
  111    HG2  GLU  14           2HG      GLU  14  -1.750  -2.313  10.728
  112    HG3  GLU  14           1HG      GLU  14  -3.392  -2.884  10.428
  113    H    LEU  15           H        LEU  15  -3.868  -0.925   6.488
  114    HA   LEU  15           HA       LEU  15  -1.948  -0.679   4.399
  115    HB2  LEU  15           2HB      LEU  15  -4.787   0.331   4.455
  116    HB3  LEU  15           1HB      LEU  15  -3.769   0.333   3.033
  117    HG   LEU  15           HG       LEU  15  -4.749  -2.085   4.516
  118   HD11  LEU  15          1HD1      LEU  15  -6.479  -0.927   3.235
  119   HD12  LEU  15          2HD1      LEU  15  -6.053  -2.465   2.483
  120   HD13  LEU  15          3HD1      LEU  15  -5.442  -0.953   1.809
  121   HD21  LEU  15          3HD2      LEU  15  -3.776  -3.353   2.771
  122   HD22  LEU  15          1HD2      LEU  15  -2.529  -2.409   3.559
  123   HD23  LEU  15          2HD2      LEU  15  -3.140  -1.904   1.970
  124    H    VAL  16           H        VAL  16  -3.732   1.664   6.267
  125    HA   VAL  16           HA       VAL  16  -2.726   3.996   5.005
  126    HB   VAL  16           HB       VAL  16  -3.487   3.720   7.932
  127   HG11  VAL  16          1HG1      VAL  16  -4.081   6.093   7.785
  128   HG12  VAL  16          2HG1      VAL  16  -3.510   6.125   6.117
  129   HG13  VAL  16          3HG1      VAL  16  -2.375   5.819   7.430
  130   HG21  VAL  16          3HG2      VAL  16  -5.756   4.379   7.266
  131   HG22  VAL  16          1HG2      VAL  16  -5.278   2.843   6.542
  132   HG23  VAL  16          2HG2      VAL  16  -5.268   4.313   5.571
  133    H    ARG  17           H        ARG  17  -1.536   2.132   7.719
  134    HA   ARG  17           HA       ARG  17   0.696   3.634   8.498
  135    HB2  ARG  17           2HB      ARG  17  -0.312   1.414   9.424
  136    HB3  ARG  17           1HB      ARG  17   0.710   0.667   8.261
  137    HG2  ARG  17           2HG      ARG  17   2.721   1.610   9.201
  138    HG3  ARG  17           1HG      ARG  17   1.778   2.452  10.433
  139    HD2  ARG  17           2HD      ARG  17   0.996   0.299  11.297
  140    HD3  ARG  17           1HD      ARG  17   1.935  -0.538  10.061
  141    HE   ARG  17           HE       ARG  17   3.589   1.177  11.589
  142   HH11  ARG  17          1HH1      ARG  17   1.944  -1.947  11.787
  143   HH12  ARG  17          2HH1      ARG  17   3.024  -2.614  12.909
  144   HH21  ARG  17          1HH2      ARG  17   5.063   0.285  13.125
  145   HH22  ARG  17          2HH2      ARG  17   4.858  -1.302  13.707
  146    H    ALA  18           H        ALA  18   0.457   0.974   6.340
  147    HA   ALA  18           HA       ALA  18   3.073   0.969   5.263
  148    HB1  ALA  18           1HB      ALA  18   2.215  -0.465   3.479
  149    HB2  ALA  18           2HB      ALA  18   0.564  -0.018   3.907
  150    HB3  ALA  18           3HB      ALA  18   1.549  -0.939   5.041
  151    H    GLN  19           H        GLN  19   0.179   2.596   4.124
  152    HA   GLN  19           HA       GLN  19   1.158   3.688   1.745
  153    HB2  GLN  19           2HB      GLN  19  -0.952   4.365   3.690
  154    HB3  GLN  19           1HB      GLN  19  -0.697   5.499   2.404
  155    HG2  GLN  19           2HG      GLN  19  -1.150   3.726   0.794
  156    HG3  GLN  19           1HG      GLN  19  -1.300   2.554   2.112
  157   HE21  GLN  19          1HE2      GLN  19  -3.237   3.232   0.097
  158   HE22  GLN  19          2HE2      GLN  19  -4.610   3.823   1.000
  159    H    ILE  20           H        ILE  20   0.829   5.144   4.946
  160    HA   ILE  20           HA       ILE  20   2.253   7.515   4.438
  161    HB   ILE  20           HB       ILE  20   1.982   6.027   7.087
  162   HG12  ILE  20          2HG1      ILE  20   0.389   8.351   5.968
  163   HG13  ILE  20          1HG1      ILE  20  -0.162   6.683   6.035
  164   HG21  ILE  20          1HG2      ILE  20   3.840   7.621   7.190
  165   HG22  ILE  20          2HG2      ILE  20   2.488   8.175   8.178
  166   HG23  ILE  20          3HG2      ILE  20   2.784   8.904   6.600
  167   HD11  ILE  20          3HD1      ILE  20  -1.137   8.016   7.819
  168   HD12  ILE  20          1HD1      ILE  20   0.475   8.432   8.405
  169   HD13  ILE  20          2HD1      ILE  20  -0.087   6.761   8.478
  170    H    ALA  21           H        ALA  21   3.347   4.309   5.114
  171    HA   ALA  21           HA       ALA  21   6.094   4.979   5.568
  172    HB1  ALA  21           1HB      ALA  21   4.904   2.328   4.802
  173    HB2  ALA  21           2HB      ALA  21   5.040   2.928   6.448
  174    HB3  ALA  21           3HB      ALA  21   6.498   2.601   5.507
  175    H    ILE  22           H        ILE  22   4.150   4.475   2.760
  176    HA   ILE  22           HA       ILE  22   6.545   4.202   1.168
  177    HB   ILE  22           HB       ILE  22   4.361   2.852   0.623
  178   HG12  ILE  22          2HG1      ILE  22   6.283   2.988  -0.960
  179   HG13  ILE  22          1HG1      ILE  22   4.732   2.815  -1.762
  180   HG21  ILE  22          1HG2      ILE  22   3.448   5.412  -0.607
  181   HG22  ILE  22          2HG2      ILE  22   2.748   4.606   0.791
  182   HG23  ILE  22          3HG2      ILE  22   2.692   3.826  -0.794
  183   HD11  ILE  22          3HD1      ILE  22   6.335   5.352  -1.496
  184   HD12  ILE  22          1HD1      ILE  22   4.765   5.217  -2.285
  185   HD13  ILE  22          2HD1      ILE  22   6.160   4.369  -2.951
  186    H    CYS  23           H        CYS  23   3.916   6.520   1.592
  187    HA   CYS  23           HA       CYS  23   4.984   8.392  -0.283
  188    HB2  CYS  23           2HB      CYS  23   2.857   8.490   1.796
  189    HB3  CYS  23           1HB      CYS  23   3.294   9.887   0.831
  190    H    GLY  24           H        GLY  24   5.363   7.864   3.047
  191    HA2  GLY  24           2HA      GLY  24   6.793  10.424   3.340
  192    HA3  GLY  24           1HA      GLY  24   6.128   9.493   4.672
  193    H    MET  25           H        MET  25   8.082   8.194   2.030
  194    HA   MET  25           HA       MET  25  10.370   8.120   3.781
  195    HB2  MET  25           2HB      MET  25   9.159   5.998   4.250
  196    HB3  MET  25           1HB      MET  25   9.305   5.568   2.553
  197    HG2  MET  25           2HG      MET  25  10.981   4.426   3.915
  198    HG3  MET  25           1HG      MET  25  11.725   5.521   2.751
  199    HE1  MET  25           3HE      MET  25  13.987   5.215   4.245
  200    HE2  MET  25           1HE      MET  25  13.124   4.253   5.443
  201    HE3  MET  25           2HE      MET  25  14.078   5.647   5.953
  202    H    SER  26           H        SER  26  10.846   9.691   2.218
  203    HA   SER  26           HA       SER  26  11.659   8.625  -0.374
  204    HB2  SER  26           2HB      SER  26  11.401  11.486   0.563
  205    HB3  SER  26           1HB      SER  26  11.692  10.927  -1.087
  206    HG   SER  26           HG       SER  26   9.684   9.739  -0.850
  207    H    THR  27           H        THR  27  12.983   8.418   2.342
  208    HA   THR  27           HA       THR  27  15.424   9.863   2.191
  209    HB   THR  27           HB       THR  27  14.925   7.306   3.717
  210    HG1  THR  27           1HG      THR  27  13.854   9.856   3.981
  211   HG21  THR  27          3HG2      THR  27  16.475   8.303   5.357
  212   HG22  THR  27          1HG2      THR  27  16.637   9.734   4.337
  213   HG23  THR  27          2HG2      THR  27  17.240   8.177   3.772
  214    H    TRP  28           H        TRP  28  14.220   7.210   0.795
  215    HA   TRP  28           HA       TRP  28  16.797   6.074  -0.006
  216    HB2  TRP  28           2HB      TRP  28  14.006   5.132  -0.721
  217    HB3  TRP  28           1HB      TRP  28  15.495   4.297  -1.131
  218    HD1  TRP  28           HD       TRP  28  12.788   3.763   1.015
  219    HE1  TRP  28           1HE      TRP  28  13.397   2.518   3.172
  220    HE3  TRP  28           3HE      TRP  28  17.854   4.552   1.014
  221    HZ2  TRP  28           2HZ      TRP  28  15.701   1.971   4.698
  222    HZ3  TRP  28           3HZ      TRP  28  19.175   3.639   2.870
  223    HH2  TRP  28           HH       TRP  28  18.123   2.377   4.673
  224    H    SER  29           H        SER  29  17.743   6.821  -1.757
  225    HA   SER  29           HA       SER  29  16.256   7.542  -4.110
  226    HB2  SER  29           2HB      SER  29  18.013   9.562  -2.703
  227    HB3  SER  29           1HB      SER  29  17.228   9.774  -4.270
  228    HG   SER  29           HG       SER  29  15.532   8.999  -2.302
  229    HN1  NH2  30           HT1      SER  29  17.368   5.895  -5.078
  230    HN2  NH2  30           HT2      SER  29  19.070   5.909  -5.369
  231    HA   PCA   1           HA       PCA   1 -14.505   4.597  -6.605
  232    HB2  PCA   1           2HB      PCA   1 -13.579   4.628  -3.882
  233    HB3  PCA   1           1HB      PCA   1 -14.656   5.805  -4.690
  234    HG2  PCA   1           2HG      PCA   1 -15.348   3.903  -2.687
  235    HG3  PCA   1           1HG      PCA   1 -16.485   4.913  -3.641
  236    H    LEU   2           H        LEU   2 -12.228   4.835  -6.732
  237    HA   LEU   2           HA       LEU   2 -10.802   2.304  -6.919
  238    HB2  LEU   2           2HB      LEU   2  -9.836   5.124  -7.331
  239    HB3  LEU   2           1HB      LEU   2  -8.921   3.661  -7.641
  240    HG   LEU   2           HG       LEU   2 -11.433   4.458  -9.115
  241   HD11  LEU   2          1HD1      LEU   2  -8.539   4.558  -9.960
  242   HD12  LEU   2          2HD1      LEU   2  -9.566   5.949  -9.615
  243   HD13  LEU   2          3HD1      LEU   2  -9.928   4.904 -10.989
  244   HD21  LEU   2          3HD2      LEU   2  -9.463   2.211  -9.562
  245   HD22  LEU   2          1HD2      LEU   2 -10.796   2.634 -10.636
  246   HD23  LEU   2          2HD2      LEU   2 -11.131   2.042  -9.014
  247    H    TYR   3           H        TYR   3 -10.983   4.642  -4.485
  248    HA   TYR   3           HA       TYR   3  -8.593   3.601  -3.396
  249    HB2  TYR   3           2HB      TYR   3  -9.370   5.896  -2.847
  250    HB3  TYR   3           1HB      TYR   3 -10.686   5.164  -1.905
  251    HD1  TYR   3           1HD      TYR   3  -7.103   4.689  -2.397
  252    HD2  TYR   3           2HD      TYR   3 -10.300   4.956   0.352
  253    HE1  TYR   3           1HE      TYR   3  -5.575   4.252  -0.684
  254    HE2  TYR   3           2HE      TYR   3  -8.762   4.532   2.194
  255    HH   TYR   3           HH       TYR   3  -6.608   3.578   2.588
  256    H    SER   4           H        SER   4 -12.028   3.089  -2.772
  257    HA   SER   4           HA       SER   4 -11.787   1.275  -0.693
  258    HB2  SER   4           2HB      SER   4 -13.889   1.349  -2.850
  259    HB3  SER   4           1HB      SER   4 -14.060   0.786  -1.180
  260    HG   SER   4           HG       SER   4 -13.976   2.809  -0.449
  261    H    ALA   5           H        ALA   5 -11.699   0.878  -4.200
  262    HA   ALA   5           HA       ALA   5 -11.721  -1.912  -4.342
  263    HB1  ALA   5           1HB      ALA   5 -10.360   0.049  -6.191
  264    HB2  ALA   5           2HB      ALA   5 -12.043  -0.460  -6.292
  265    HB3  ALA   5           3HB      ALA   5 -10.751  -1.629  -6.574
  266    H    LEU   6           H        LEU   6  -8.991   0.364  -4.070
  267    HA   LEU   6           HA       LEU   6  -6.888  -1.510  -4.066
  268    HB2  LEU   6           2HB      LEU   6  -6.456   0.901  -4.230
  269    HB3  LEU   6           1HB      LEU   6  -7.081   1.140  -2.609
  270    HG   LEU   6           HG       LEU   6  -5.215  -0.408  -1.825
  271   HD11  LEU   6          1HD1      LEU   6  -4.597  -1.396  -3.887
  272   HD12  LEU   6          2HD1      LEU   6  -3.220  -0.518  -3.221
  273   HD13  LEU   6          3HD1      LEU   6  -4.142   0.169  -4.558
  274   HD21  LEU   6          3HD2      LEU   6  -3.558   1.383  -1.726
  275   HD22  LEU   6          1HD2      LEU   6  -5.177   1.999  -1.411
  276   HD23  LEU   6          2HD2      LEU   6  -4.426   2.265  -2.985
  277    H    ALA   7           H        ALA   7  -8.682  -0.019  -1.441
  278    HA   ALA   7           HA       ALA   7  -7.413  -1.148   0.735
  279    HB1  ALA   7           1HB      ALA   7  -9.026   0.693   0.884
  280    HB2  ALA   7           2HB      ALA   7  -9.410  -0.601   2.017
  281    HB3  ALA   7           3HB      ALA   7 -10.333  -0.432   0.524
  282    H    ASN   8           H        ASN   8 -10.202  -2.393  -1.032
  283    HA   ASN   8           HA       ASN   8 -10.447  -4.739   0.553
  284    HB2  ASN   8           2HB      ASN   8 -11.501  -4.117  -2.209
  285    HB3  ASN   8           1HB      ASN   8 -11.862  -5.604  -1.343
  286   HD21  ASN   8          1HD2      ASN   8 -13.653  -3.515  -2.263
  287   HD22  ASN   8          2HD2      ASN   8 -14.465  -2.934  -0.863
  288    H    LYS   9           H        LYS   9  -8.748  -4.000  -2.406
  289    HA   LYS   9           HA       LYS   9  -8.124  -6.655  -3.175
  290    HB2  LYS   9           2HB      LYS   9  -7.974  -4.554  -4.598
  291    HB3  LYS   9           1HB      LYS   9  -6.541  -4.136  -3.698
  292    HG2  LYS   9           2HG      LYS   9  -5.933  -5.023  -5.836
  293    HG3  LYS   9           1HG      LYS   9  -5.429  -6.156  -4.580
  294    HD2  LYS   9           2HD      LYS   9  -7.098  -7.689  -5.135
  295    HD3  LYS   9           1HD      LYS   9  -8.069  -6.472  -5.966
  296    HE2  LYS   9           2HE      LYS   9  -7.031  -7.978  -7.571
  297    HE3  LYS   9           1HE      LYS   9  -6.411  -6.344  -7.740
  298    HZ1  LYS   9           3HZ      LYS   9  -5.004  -8.679  -6.537
  299    HZ2  LYS   9           1HZ      LYS   9  -4.399  -7.092  -6.468
  300    HZ3  LYS   9           2HZ      LYS   9  -4.641  -7.847  -7.930
  301    H    CYS  10           H        CYS  10  -6.202  -4.279  -1.390
  302    HA   CYS  10           HA       CYS  10  -4.001  -6.017  -0.912
  303    HB2  CYS  10           2HB      CYS  10  -4.944  -3.759   0.844
  304    HB3  CYS  10           1HB      CYS  10  -3.307  -4.380   0.687
  305    H    CYS  11           H        CYS  11  -6.982  -5.375   0.810
  306    HA   CYS  11           HA       CYS  11  -6.277  -6.727   3.185
  307    HB2  CYS  11           2HB      CYS  11  -8.046  -4.971   2.950
  308    HB3  CYS  11           1HB      CYS  11  -9.030  -6.135   2.082
  309    H    HIS  12           H        HIS  12  -7.950  -7.676   0.195
  310    HA   HIS  12           HA       HIS  12  -8.673 -10.228   1.263
  311    HB2  HIS  12           2HB      HIS  12  -8.925  -8.952  -1.433
  312    HB3  HIS  12           1HB      HIS  12  -9.392 -10.618  -1.158
  313    HD1  HIS  12           1HD      HIS  12 -11.911  -9.725  -1.781
  314    HD2  HIS  12           2HD      HIS  12 -10.242  -8.244   1.701
  315    HE1  HIS  12           1HE      HIS  12 -13.795  -8.638  -0.527
  316    H    VAL  13           H        VAL  13  -6.512  -9.122  -1.264
  317    HA   VAL  13           HA       VAL  13  -5.143 -11.692  -0.979
  318    HB   VAL  13           HB       VAL  13  -4.431 -11.456  -3.366
  319   HG11  VAL  13          1HG1      VAL  13  -6.239 -12.990  -2.699
  320   HG12  VAL  13          2HG1      VAL  13  -6.644 -12.256  -4.257
  321   HG13  VAL  13          3HG1      VAL  13  -7.391 -11.659  -2.773
  322   HG21  VAL  13          3HG2      VAL  13  -5.844 -10.067  -4.860
  323   HG22  VAL  13          1HG2      VAL  13  -4.882  -9.099  -3.741
  324   HG23  VAL  13          2HG2      VAL  13  -6.598  -9.355  -3.434
  325    H    GLY  14           H        GLY  14  -4.582  -8.376  -1.953
  326    HA2  GLY  14           2HA      GLY  14  -2.682  -7.462  -0.384
  327    HA3  GLY  14           1HA      GLY  14  -1.758  -8.650  -1.249
  328    H    CYS  15           H        CYS  15  -0.909  -6.173  -1.457
  329    HA   CYS  15           HA       CYS  15  -1.289  -5.704  -4.263
  330    HB2  CYS  15           2HB      CYS  15  -1.704  -3.286  -3.927
  331    HB3  CYS  15           1HB      CYS  15  -3.034  -4.300  -3.390
  332    H    THR  16           H        THR  16   0.295  -4.127  -5.029
  333    HA   THR  16           HA       THR  16   2.762  -4.555  -3.694
  334    HB   THR  16           HB       THR  16   3.680  -3.282  -5.691
  335    HG1  THR  16           1HG      THR  16   1.151  -3.728  -6.871
  336   HG21  THR  16          3HG2      THR  16   3.689  -5.713  -5.622
  337   HG22  THR  16          1HG2      THR  16   3.315  -5.154  -7.251
  338   HG23  THR  16          2HG2      THR  16   2.025  -5.754  -6.206
  339    H    LYS  17           H        LYS  17   4.120  -2.915  -3.193
  340    HA   LYS  17           HA       LYS  17   2.985  -0.862  -1.549
  341    HB2  LYS  17           2HB      LYS  17   5.208  -2.112  -1.463
  342    HB3  LYS  17           1HB      LYS  17   5.879  -0.905  -2.514
  343    HG2  LYS  17           2HG      LYS  17   6.425  -0.413  -0.265
  344    HG3  LYS  17           1HG      LYS  17   5.248   0.810  -0.789
  345    HD2  LYS  17           2HD      LYS  17   3.488  -0.301   0.403
  346    HD3  LYS  17           1HD      LYS  17   4.506  -1.709   0.704
  347    HE2  LYS  17           2HE      LYS  17   4.936   1.059   1.821
  348    HE3  LYS  17           1HE      LYS  17   4.254  -0.311   2.695
  349    HZ1  LYS  17           3HZ      LYS  17   7.032  -0.023   1.689
  350    HZ2  LYS  17           1HZ      LYS  17   6.395  -1.500   2.228
  351    HZ3  LYS  17           2HZ      LYS  17   6.506  -0.186   3.267
  352    H    ARG  18           H        ARG  18   4.171  -0.811  -4.804
  353    HA   ARG  18           HA       ARG  18   3.862   2.027  -5.055
  354    HB2  ARG  18           2HB      ARG  18   4.100  -0.105  -7.163
  355    HB3  ARG  18           1HB      ARG  18   3.974   1.610  -7.517
  356    HG2  ARG  18           2HG      ARG  18   6.165   0.251  -5.969
  357    HG3  ARG  18           1HG      ARG  18   6.275   0.869  -7.616
  358    HD2  ARG  18           2HD      ARG  18   5.769   2.546  -5.142
  359    HD3  ARG  18           1HD      ARG  18   7.305   2.389  -5.981
  360    HE   ARG  18           HE       ARG  18   5.431   3.216  -7.835
  361   HH11  ARG  18          1HH1      ARG  18   6.865   4.570  -4.856
  362   HH12  ARG  18          2HH1      ARG  18   6.874   6.169  -5.441
  363   HH21  ARG  18          1HH2      ARG  18   5.417   5.453  -8.567
  364   HH22  ARG  18          2HH2      ARG  18   6.051   6.675  -7.547
  365    H    SER  19           H        SER  19   1.738  -0.600  -5.160
  366    HA   SER  19           HA       SER  19  -0.291   0.661  -6.697
  367    HB2  SER  19           2HB      SER  19  -0.027  -1.834  -6.431
  368    HB3  SER  19           1HB      SER  19  -0.554  -1.681  -4.768
  369    HG   SER  19           HG       SER  19  -1.944  -1.267  -7.160
  370    H    LEU  20           H        LEU  20   0.446   0.271  -3.222
  371    HA   LEU  20           HA       LEU  20  -1.813   1.905  -2.485
  372    HB2  LEU  20           2HB      LEU  20   0.609   1.776  -0.629
  373    HB3  LEU  20           1HB      LEU  20  -1.026   2.107  -0.298
  374    HG   LEU  20           HG       LEU  20  -1.581  -0.304  -0.854
  375   HD11  LEU  20          1HD1      LEU  20   0.185  -1.889  -0.521
  376   HD12  LEU  20          2HD1      LEU  20   1.353  -0.582  -0.355
  377   HD13  LEU  20          3HD1      LEU  20   0.553  -0.862  -1.906
  378   HD21  LEU  20          3HD2      LEU  20  -1.667   0.598   1.390
  379   HD22  LEU  20          1HD2      LEU  20   0.083   0.390   1.543
  380   HD23  LEU  20          2HD2      LEU  20  -0.961  -1.022   1.399
  381    H    ALA  21           H        ALA  21   1.408   2.445  -3.296
  382    HA   ALA  21           HA       ALA  21   1.707   5.157  -2.628
  383    HB1  ALA  21           1HB      ALA  21   3.467   5.300  -4.251
  384    HB2  ALA  21           2HB      ALA  21   2.864   3.866  -5.073
  385    HB3  ALA  21           3HB      ALA  21   3.542   3.728  -3.448
  386    H    ARG  22           H        ARG  22   0.108   3.767  -5.432
  387    HA   ARG  22           HA       ARG  22  -0.134   6.355  -6.684
  388    HB2  ARG  22           2HB      ARG  22  -1.455   5.159  -8.441
  389    HB3  ARG  22           1HB      ARG  22   0.188   4.577  -8.228
  390    HG2  ARG  22           2HG      ARG  22  -0.660   2.692  -6.945
  391    HG3  ARG  22           1HG      ARG  22  -2.304   3.292  -7.144
  392    HD2  ARG  22           2HD      ARG  22  -0.476   2.540  -9.419
  393    HD3  ARG  22           1HD      ARG  22  -1.692   1.469  -8.725
  394    HE   ARG  22           HE       ARG  22  -2.909   3.881  -9.422
  395   HH11  ARG  22          1HH1      ARG  22  -1.368   1.149 -11.085
  396   HH12  ARG  22          2HH1      ARG  22  -2.416   1.192 -12.418
  397   HH21  ARG  22          1HH2      ARG  22  -4.317   3.961 -11.246
  398   HH22  ARG  22          2HH2      ARG  22  -4.141   2.855 -12.533
  399    H    PHE  23           H        PHE  23  -1.652   5.231  -4.160
  400    HA   PHE  23           HA       PHE  23  -4.020   6.829  -4.811
  401    HB2  PHE  23           2HB      PHE  23  -4.030   4.257  -3.223
  402    HB3  PHE  23           1HB      PHE  23  -5.385   5.378  -3.289
  403    HD1  PHE  23           1HD      PHE  23  -6.442   5.848  -5.532
  404    HD2  PHE  23           2HD      PHE  23  -3.748   2.619  -4.906
  405    HE1  PHE  23           1HE      PHE  23  -7.268   4.769  -7.567
  406    HE2  PHE  23           2HE      PHE  23  -4.577   1.524  -6.940
  407    HZ   PHE  23           HZ       PHE  23  -6.340   2.597  -8.280
  408    H    CYS  24           H        CYS  24  -2.313   5.350  -2.217
  409    HA   CYS  24           HA       CYS  24  -1.672   5.987  -0.131
  410    HB2  CYS  24           2HB      CYS  24  -0.193   7.246  -1.772
  411    HB3  CYS  24           1HB      CYS  24  -1.185   8.656  -1.442
  412    HN1  NH2  25           HT1      CYS  24  -3.711   5.864   0.888
  413    HN2  NH2  25           HT2      CYS  24  -4.572   7.278   1.363
  Start of MODEL   10
    1    H1   ASP   1           1HT      ASP   1  11.043  -4.952   1.002
    2    H2   ASP   1           2HT      ASP   1  11.618  -5.116   2.576
    3    H3   ASP   1           3HT      ASP   1  12.666  -5.398   1.287
    4    HA   ASP   1           HA       ASP   1  11.424  -2.822   2.069
    5    HB2  ASP   1           2HB      ASP   1  13.677  -2.111   2.473
    6    HB3  ASP   1           1HB      ASP   1  13.303  -3.494   3.521
    7    H    SER   2           H        SER   2  13.211  -4.549  -0.376
    8    HA   SER   2           HA       SER   2  13.651  -2.228  -1.930
    9    HB2  SER   2           2HB      SER   2  15.057  -4.012  -2.272
   10    HB3  SER   2           1HB      SER   2  13.749  -5.145  -2.726
   11    HG   SER   2           HG       SER   2  14.687  -4.438  -4.580
   12    H    TRP   3           H        TRP   3  12.542  -1.307  -3.235
   13    HA   TRP   3           HA       TRP   3   9.729  -1.424  -2.980
   14    HB2  TRP   3           2HB      TRP   3  11.340   0.282  -4.861
   15    HB3  TRP   3           1HB      TRP   3   9.658   0.543  -4.416
   16    HD1  TRP   3           HD       TRP   3  13.047   1.659  -3.475
   17    HE1  TRP   3           1HE      TRP   3  13.047   2.761  -1.185
   18    HE3  TRP   3           3HE      TRP   3   8.406   0.180  -1.737
   19    HZ2  TRP   3           2HZ      TRP   3  11.417   3.000   1.052
   20    HZ3  TRP   3           3HZ      TRP   3   7.768   0.882   0.510
   21    HH2  TRP   3           HH       TRP   3   9.230   2.271   1.874
   22    H    MET   4           H        MET   4  11.760  -2.799  -5.365
   23    HA   MET   4           HA       MET   4   9.636  -3.004  -7.330
   24    HB2  MET   4           2HB      MET   4  12.419  -4.185  -7.319
   25    HB3  MET   4           1HB      MET   4  11.283  -4.324  -8.651
   26    HG2  MET   4           2HG      MET   4  11.288  -1.882  -8.886
   27    HG3  MET   4           1HG      MET   4  12.457  -1.770  -7.576
   28    HE1  MET   4           3HE      MET   4  12.877  -0.445 -10.442
   29    HE2  MET   4           1HE      MET   4  14.564  -0.848 -10.763
   30    HE3  MET   4           2HE      MET   4  14.070  -0.334  -9.150
   31    H    GLU   5           H        GLU   5  10.427  -4.669  -4.549
   32    HA   GLU   5           HA       GLU   5   9.219  -7.177  -5.559
   33    HB2  GLU   5           2HB      GLU   5  11.383  -6.862  -3.476
   34    HB3  GLU   5           1HB      GLU   5  10.680  -8.378  -4.012
   35    HG2  GLU   5           2HG      GLU   5  11.669  -8.121  -6.191
   36    HG3  GLU   5           1HG      GLU   5  12.240  -6.505  -5.776
   37    H    GLU   6           H        GLU   6   8.168  -4.739  -4.053
   38    HA   GLU   6           HA       GLU   6   7.546  -5.918  -1.473
   39    HB2  GLU   6           2HB      GLU   6   7.043  -3.146  -2.516
   40    HB3  GLU   6           1HB      GLU   6   6.569  -3.791  -0.947
   41    HG2  GLU   6           2HG      GLU   6   9.407  -3.575  -1.889
   42    HG3  GLU   6           1HG      GLU   6   8.588  -2.349  -0.923
   43    H    VAL   7           H        VAL   7   5.844  -6.970  -1.314
   44    HA   VAL   7           HA       VAL   7   3.326  -5.973  -2.335
   45    HB   VAL   7           HB       VAL   7   3.915  -7.695  -4.013
   46   HG11  VAL   7          1HG1      VAL   7   5.439  -9.067  -2.734
   47   HG12  VAL   7          2HG1      VAL   7   4.142 -10.061  -3.405
   48   HG13  VAL   7          3HG1      VAL   7   4.118  -9.613  -1.701
   49   HG21  VAL   7          3HG2      VAL   7   1.922  -9.156  -3.803
   50   HG22  VAL   7          1HG2      VAL   7   1.550  -7.467  -3.473
   51   HG23  VAL   7          2HG2      VAL   7   1.703  -8.593  -2.145
   52    H    ILE   8           H        ILE   8   1.773  -6.076  -0.846
   53    HA   ILE   8           HA       ILE   8   2.369  -7.675   1.531
   54    HB   ILE   8           HB       ILE   8   1.698  -5.873   3.018
   55   HG12  ILE   8          2HG1      ILE   8   1.437  -4.249   0.497
   56   HG13  ILE   8          1HG1      ILE   8   0.139  -4.719   1.566
   57   HG21  ILE   8          1HG2      ILE   8   3.618  -4.372   2.776
   58   HG22  ILE   8          2HG2      ILE   8   3.868  -4.964   1.135
   59   HG23  ILE   8          3HG2      ILE   8   4.072  -6.055   2.501
   60   HD11  ILE   8          3HD1      ILE   8   2.369  -2.827   2.295
   61   HD12  ILE   8          1HD1      ILE   8   1.048  -3.324   3.349
   62   HD13  ILE   8          2HD1      ILE   8   0.711  -2.374   1.902
   63    H    LYS   9           H        LYS   9   0.551  -7.839   2.908
   64    HA   LYS   9           HA       LYS   9  -2.044  -7.445   1.679
   65    HB2  LYS   9           2HB      LYS   9  -1.474  -9.789   1.161
   66    HB3  LYS   9           1HB      LYS   9  -1.160 -10.092   2.865
   67    HG2  LYS   9           2HG      LYS   9  -3.467  -9.834   3.421
   68    HG3  LYS   9           1HG      LYS   9  -3.847  -9.232   1.808
   69    HD2  LYS   9           2HD      LYS   9  -4.561 -11.545   2.063
   70    HD3  LYS   9           1HD      LYS   9  -3.284 -11.413   0.862
   71    HE2  LYS   9           2HE      LYS   9  -1.649 -12.150   2.558
   72    HE3  LYS   9           1HE      LYS   9  -2.964 -12.331   3.722
   73    HZ1  LYS   9           3HZ      LYS   9  -2.732 -13.774   1.150
   74    HZ2  LYS   9           1HZ      LYS   9  -3.960 -13.988   2.263
   75    HZ3  LYS   9           2HZ      LYS   9  -2.374 -14.447   2.642
   76    H    LEU  10           H        LEU  10  -2.527  -5.904   2.998
   77    HA   LEU  10           HA       LEU  10  -2.698  -6.394   5.894
   78    HB2  LEU  10           2HB      LEU  10  -1.558  -4.039   4.441
   79    HB3  LEU  10           1HB      LEU  10  -2.416  -3.784   5.923
   80    HG   LEU  10           HG       LEU  10  -0.862  -5.046   7.185
   81   HD11  LEU  10          1HD1      LEU  10  -0.232  -6.776   5.546
   82   HD12  LEU  10          2HD1      LEU  10   1.208  -5.999   6.209
   83   HD13  LEU  10          3HD1      LEU  10   0.621  -5.556   4.603
   84   HD21  LEU  10          3HD2      LEU  10  -0.317  -2.715   6.759
   85   HD22  LEU  10          1HD2      LEU  10   0.607  -3.189   5.343
   86   HD23  LEU  10          2HD2      LEU  10   1.143  -3.687   6.947
   87    H    CYS  11           H        CYS  11  -4.093  -4.574   6.788
   88    HA   CYS  11           HA       CYS  11  -6.306  -3.935   4.977
   89    HB2  CYS  11           2HB      CYS  11  -6.843  -5.477   7.508
   90    HB3  CYS  11           1HB      CYS  11  -8.009  -4.947   6.301
   91    H    GLY  12           H        GLY  12  -7.894  -2.501   6.010
   92    HA2  GLY  12           2HA      GLY  12  -8.502  -0.648   7.251
   93    HA3  GLY  12           1HA      GLY  12  -7.923  -1.598   8.596
   94    H    ARG  13           H        ARG  13  -6.831  -0.357   9.806
   95    HA   ARG  13           HA       ARG  13  -5.462   1.999   9.055
   96    HB2  ARG  13           2HB      ARG  13  -5.025   0.355  11.542
   97    HB3  ARG  13           1HB      ARG  13  -4.489   2.007  11.291
   98    HG2  ARG  13           2HG      ARG  13  -7.327   1.051  11.427
   99    HG3  ARG  13           1HG      ARG  13  -6.453   1.930  12.677
  100    HD2  ARG  13           2HD      ARG  13  -6.252   3.844  11.163
  101    HD3  ARG  13           1HD      ARG  13  -7.134   2.948   9.922
  102    HE   ARG  13           HE       ARG  13  -8.366   3.324  12.513
  103   HH11  ARG  13          1HH1      ARG  13  -8.280   4.248   9.072
  104   HH12  ARG  13          2HH1      ARG  13  -9.841   4.921   9.091
  105   HH21  ARG  13          1HH2      ARG  13 -10.511   4.306  12.496
  106   HH22  ARG  13          2HH2      ARG  13 -11.103   4.966  11.029
  107    H    GLU  14           H        GLU  14  -4.433  -1.327   9.000
  108    HA   GLU  14           HA       GLU  14  -1.666  -0.802   9.200
  109    HB2  GLU  14           2HB      GLU  14  -3.254  -3.119   8.124
  110    HB3  GLU  14           1HB      GLU  14  -1.503  -3.121   8.260
  111    HG2  GLU  14           2HG      GLU  14  -3.421  -2.767  10.541
  112    HG3  GLU  14           1HG      GLU  14  -2.593  -4.268  10.121
  113    H    LEU  15           H        LEU  15  -4.016  -1.030   6.656
  114    HA   LEU  15           HA       LEU  15  -2.245  -0.827   4.426
  115    HB2  LEU  15           2HB      LEU  15  -5.090   0.098   4.744
  116    HB3  LEU  15           1HB      LEU  15  -4.219   0.088   3.228
  117    HG   LEU  15           HG       LEU  15  -4.778  -2.379   4.843
  118   HD11  LEU  15          1HD1      LEU  15  -6.522  -2.794   3.147
  119   HD12  LEU  15          2HD1      LEU  15  -6.267  -1.150   2.534
  120   HD13  LEU  15          3HD1      LEU  15  -6.864  -1.407   4.172
  121   HD21  LEU  15          3HD2      LEU  15  -4.262  -3.517   2.835
  122   HD22  LEU  15          1HD2      LEU  15  -2.889  -2.522   3.302
  123   HD23  LEU  15          2HD2      LEU  15  -3.946  -1.999   1.973
  124    H    VAL  16           H        VAL  16  -3.989   1.514   6.379
  125    HA   VAL  16           HA       VAL  16  -3.250   3.811   4.899
  126    HB   VAL  16           HB       VAL  16  -3.978   3.690   7.845
  127   HG11  VAL  16          1HG1      VAL  16  -3.001   5.824   7.203
  128   HG12  VAL  16          2HG1      VAL  16  -4.720   6.004   7.551
  129   HG13  VAL  16          3HG1      VAL  16  -4.158   5.971   5.879
  130   HG21  VAL  16          3HG2      VAL  16  -6.281   4.162   7.129
  131   HG22  VAL  16          1HG2      VAL  16  -5.704   2.618   6.503
  132   HG23  VAL  16          2HG2      VAL  16  -5.777   4.026   5.445
  133    H    ARG  17           H        ARG  17  -1.873   2.278   7.725
  134    HA   ARG  17           HA       ARG  17   0.185   4.043   8.388
  135    HB2  ARG  17           2HB      ARG  17  -0.658   1.750   9.387
  136    HB3  ARG  17           1HB      ARG  17   0.565   1.101   8.362
  137    HG2  ARG  17           2HG      ARG  17   1.527   1.314  10.548
  138    HG3  ARG  17           1HG      ARG  17   2.299   2.472   9.471
  139    HD2  ARG  17           2HD      ARG  17   0.019   3.187  11.316
  140    HD3  ARG  17           1HD      ARG  17   1.706   3.316  11.786
  141    HE   ARG  17           HE       ARG  17   1.986   4.953  10.041
  142   HH11  ARG  17          1HH1      ARG  17  -1.383   4.306  11.002
  143   HH12  ARG  17          2HH1      ARG  17  -1.925   5.852  10.532
  144   HH21  ARG  17          1HH2      ARG  17   1.165   7.101   9.469
  145   HH22  ARG  17          2HH2      ARG  17  -0.501   7.432   9.671
  146    H    ALA  18           H        ALA  18   0.205   1.244   6.385
  147    HA   ALA  18           HA       ALA  18   2.802   1.392   5.298
  148    HB1  ALA  18           1HB      ALA  18   0.335   0.186   4.050
  149    HB2  ALA  18           2HB      ALA  18   1.452  -0.640   5.137
  150    HB3  ALA  18           3HB      ALA  18   1.989  -0.125   3.539
  151    H    GLN  19           H        GLN  19  -0.270   2.579   4.018
  152    HA   GLN  19           HA       GLN  19   0.571   3.640   1.622
  153    HB2  GLN  19           2HB      GLN  19  -1.649   4.129   3.486
  154    HB3  GLN  19           1HB      GLN  19  -1.447   5.269   2.174
  155    HG2  GLN  19           2HG      GLN  19  -1.623   3.484   0.576
  156    HG3  GLN  19           1HG      GLN  19  -1.633   2.275   1.867
  157   HE21  GLN  19          1HE2      GLN  19  -3.482   2.707  -0.268
  158   HE22  GLN  19          2HE2      GLN  19  -5.014   3.035   0.467
  159    H    ILE  20           H        ILE  20   0.167   5.299   4.691
  160    HA   ILE  20           HA       ILE  20   1.109   7.811   3.886
  161    HB   ILE  20           HB       ILE  20   1.313   6.569   6.644
  162   HG12  ILE  20          2HG1      ILE  20  -0.990   6.690   5.888
  163   HG13  ILE  20          1HG1      ILE  20  -0.721   7.896   7.137
  164   HG21  ILE  20          1HG2      ILE  20   2.856   8.435   6.458
  165   HG22  ILE  20          2HG2      ILE  20   1.500   8.860   7.503
  166   HG23  ILE  20          3HG2      ILE  20   1.561   9.464   5.847
  167   HD11  ILE  20          3HD1      ILE  20  -2.102   8.774   5.364
  168   HD12  ILE  20          1HD1      ILE  20  -0.862   8.407   4.168
  169   HD13  ILE  20          2HD1      ILE  20  -0.559   9.627   5.404
  170    H    ALA  21           H        ALA  21   2.917   5.110   5.260
  171    HA   ALA  21           HA       ALA  21   5.427   6.418   5.339
  172    HB1  ALA  21           1HB      ALA  21   6.390   4.177   5.554
  173    HB2  ALA  21           2HB      ALA  21   4.839   3.467   5.102
  174    HB3  ALA  21           3HB      ALA  21   4.991   4.379   6.604
  175    H    ILE  22           H        ILE  22   3.886   4.381   2.931
  176    HA   ILE  22           HA       ILE  22   6.072   4.311   1.132
  177    HB   ILE  22           HB       ILE  22   3.782   2.911   1.379
  178   HG12  ILE  22          2HG1      ILE  22   5.609   2.030   0.251
  179   HG13  ILE  22          1HG1      ILE  22   4.201   1.963  -0.838
  180   HG21  ILE  22          1HG2      ILE  22   3.213   4.713  -0.936
  181   HG22  ILE  22          2HG2      ILE  22   2.273   4.561   0.548
  182   HG23  ILE  22          3HG2      ILE  22   2.351   3.212  -0.593
  183   HD11  ILE  22          3HD1      ILE  22   5.151   3.964  -1.989
  184   HD12  ILE  22          1HD1      ILE  22   6.163   2.509  -2.087
  185   HD13  ILE  22          2HD1      ILE  22   6.561   3.781  -0.942
  186    H    CYS  23           H        CYS  23   3.488   6.507   1.674
  187    HA   CYS  23           HA       CYS  23   3.817   7.851  -0.835
  188    HB2  CYS  23           2HB      CYS  23   1.710   7.722   0.726
  189    HB3  CYS  23           1HB      CYS  23   2.442   9.124   1.501
  190    H    GLY  24           H        GLY  24   5.271   7.980   2.256
  191    HA2  GLY  24           2HA      GLY  24   6.479  10.583   1.778
  192    HA3  GLY  24           1HA      GLY  24   6.646   9.582   3.219
  193    H    MET  25           H        MET  25   7.133   7.312   1.179
  194    HA   MET  25           HA       MET  25   9.798   7.843   0.237
  195    HB2  MET  25           2HB      MET  25   9.182   5.704   2.309
  196    HB3  MET  25           1HB      MET  25  10.615   5.681   1.310
  197    HG2  MET  25           2HG      MET  25  10.051   8.040   3.045
  198    HG3  MET  25           1HG      MET  25  10.690   6.568   3.761
  199    HE1  MET  25           3HE      MET  25  13.001   9.221   0.723
  200    HE2  MET  25           1HE      MET  25  11.344   9.523   1.227
  201    HE3  MET  25           2HE      MET  25  11.723   8.173   0.136
  202    H    SER  26           H        SER  26   8.593   7.613  -1.658
  203    HA   SER  26           HA       SER  26   7.306   5.100  -2.155
  204    HB2  SER  26           2HB      SER  26   7.766   7.352  -4.108
  205    HB3  SER  26           1HB      SER  26   6.657   5.994  -4.320
  206    HG   SER  26           HG       SER  26   5.975   6.899  -2.059
  207    H    THR  27           H        THR  27  10.302   6.225  -2.456
  208    HA   THR  27           HA       THR  27  11.344   3.814  -3.444
  209    HB   THR  27           HB       THR  27  12.059   6.288  -5.070
  210    HG1  THR  27           1HG      THR  27   9.828   4.675  -5.314
  211   HG21  THR  27          3HG2      THR  27  12.395   3.331  -5.555
  212   HG22  THR  27          1HG2      THR  27  13.673   4.506  -5.263
  213   HG23  THR  27          2HG2      THR  27  12.755   4.557  -6.764
  214    H    TRP  28           H        TRP  28  13.782   4.309  -3.489
  215    HA   TRP  28           HA       TRP  28  14.490   5.634  -1.014
  216    HB2  TRP  28           2HB      TRP  28  16.281   4.314  -3.081
  217    HB3  TRP  28           1HB      TRP  28  16.786   4.852  -1.489
  218    HD1  TRP  28           HD       TRP  28  15.545   1.839  -3.289
  219    HE1  TRP  28           1HE      TRP  28  15.060  -0.048  -1.622
  220    HE3  TRP  28           3HE      TRP  28  15.615   4.529   1.070
  221    HZ2  TRP  28           2HZ      TRP  28  14.700  -0.370   1.135
  222    HZ3  TRP  28           3HZ      TRP  28  15.162   3.338   3.175
  223    HH2  TRP  28           HH       TRP  28  14.716   0.948   3.201
  224    H    SER  29           H        SER  29  15.209   7.715  -0.898
  225    HA   SER  29           HA       SER  29  15.567   9.112  -3.414
  226    HB2  SER  29           2HB      SER  29  15.390  10.217  -0.604
  227    HB3  SER  29           1HB      SER  29  15.306  11.136  -2.106
  228    HG   SER  29           HG       SER  29  13.473   9.388  -2.413
  229    HN1  NH2  30           HT1      SER  29  17.613   8.608  -4.053
  230    HN2  NH2  30           HT2      SER  29  19.045   8.950  -3.152
  231    HA   PCA   1           HA       PCA   1 -13.790   5.868  -5.092
  232    HB2  PCA   1           2HB      PCA   1 -12.672   5.508  -2.479
  233    HB3  PCA   1           1HB      PCA   1 -13.557   6.936  -3.085
  234    HG2  PCA   1           2HG      PCA   1 -14.449   5.041  -1.139
  235    HG3  PCA   1           1HG      PCA   1 -15.427   6.344  -1.900
  236    H    LEU   2           H        LEU   2 -11.733   5.356  -5.765
  237    HA   LEU   2           HA       LEU   2 -11.084   2.558  -5.711
  238    HB2  LEU   2           2HB      LEU   2  -9.536   4.835  -6.934
  239    HB3  LEU   2           1HB      LEU   2  -9.174   3.131  -7.127
  240    HG   LEU   2           HG       LEU   2 -11.700   4.446  -8.105
  241   HD11  LEU   2          1HD1      LEU   2  -9.213   3.628  -9.596
  242   HD12  LEU   2          2HD1      LEU   2  -9.773   5.279  -9.316
  243   HD13  LEU   2          3HD1      LEU   2 -10.717   4.189 -10.328
  244   HD21  LEU   2          3HD2      LEU   2 -11.962   2.331  -9.351
  245   HD22  LEU   2          1HD2      LEU   2 -11.986   2.083  -7.605
  246   HD23  LEU   2          2HD2      LEU   2 -10.539   1.695  -8.528
  247    H    TYR   3           H        TYR   3 -10.133   5.099  -3.828
  248    HA   TYR   3           HA       TYR   3  -7.900   3.883  -2.726
  249    HB2  TYR   3           2HB      TYR   3  -8.348   6.066  -2.000
  250    HB3  TYR   3           1HB      TYR   3 -10.033   5.694  -1.627
  251    HD1  TYR   3           2HD      TYR   3  -6.573   4.883  -0.611
  252    HD2  TYR   3           1HD      TYR   3 -10.649   5.155   0.486
  253    HE1  TYR   3           2HE      TYR   3  -5.975   4.337   1.648
  254    HE2  TYR   3           1HE      TYR   3 -10.138   4.600   2.724
  255    HH   TYR   3           HH       TYR   3  -6.794   4.512   3.839
  256    H    SER   4           H        SER   4 -11.361   3.503  -1.931
  257    HA   SER   4           HA       SER   4 -10.998   1.549   0.047
  258    HB2  SER   4           2HB      SER   4 -13.416   2.174  -1.650
  259    HB3  SER   4           1HB      SER   4 -13.405   1.346  -0.088
  260    HG   SER   4           HG       SER   4 -13.385   3.192   0.837
  261    H    ALA   5           H        ALA   5 -11.490   1.448  -3.427
  262    HA   ALA   5           HA       ALA   5 -11.925  -1.305  -3.755
  263    HB1  ALA   5           1HB      ALA   5 -11.241  -0.967  -6.072
  264    HB2  ALA   5           2HB      ALA   5 -10.521   0.578  -5.645
  265    HB3  ALA   5           3HB      ALA   5 -12.271   0.365  -5.539
  266    H    LEU   6           H        LEU   6  -8.947   0.611  -3.719
  267    HA   LEU   6           HA       LEU   6  -7.116  -1.477  -4.121
  268    HB2  LEU   6           2HB      LEU   6  -6.488   0.892  -4.265
  269    HB3  LEU   6           1HB      LEU   6  -6.806   1.089  -2.553
  270    HG   LEU   6           HG       LEU   6  -4.997  -0.645  -2.160
  271   HD11  LEU   6          1HD1      LEU   6  -3.318  -0.901  -3.893
  272   HD12  LEU   6          2HD1      LEU   6  -4.355  -0.029  -5.020
  273   HD13  LEU   6          3HD1      LEU   6  -4.876  -1.581  -4.360
  274   HD21  LEU   6          3HD2      LEU   6  -4.174   1.978  -3.395
  275   HD22  LEU   6          1HD2      LEU   6  -3.199   0.979  -2.320
  276   HD23  LEU   6          2HD2      LEU   6  -4.672   1.738  -1.719
  277    H    ALA   7           H        ALA   7  -8.482  -0.041  -1.215
  278    HA   ALA   7           HA       ALA   7  -7.049  -1.378   0.716
  279    HB1  ALA   7           1HB      ALA   7  -8.875  -0.870   2.249
  280    HB2  ALA   7           2HB      ALA   7  -9.939  -0.540   0.882
  281    HB3  ALA   7           3HB      ALA   7  -8.550   0.500   1.187
  282    H    ASN   8           H        ASN   8 -10.116  -2.380  -0.756
  283    HA   ASN   8           HA       ASN   8 -10.246  -4.833   0.651
  284    HB2  ASN   8           2HB      ASN   8 -11.621  -3.875  -1.846
  285    HB3  ASN   8           1HB      ASN   8 -11.772  -5.552  -1.338
  286   HD21  ASN   8          1HD2      ASN   8 -13.799  -3.434  -1.512
  287   HD22  ASN   8          2HD2      ASN   8 -14.467  -3.297   0.069
  288    H    LYS   9           H        LYS   9  -8.833  -3.968  -2.406
  289    HA   LYS   9           HA       LYS   9  -8.220  -6.586  -3.284
  290    HB2  LYS   9           2HB      LYS   9  -8.304  -4.523  -4.738
  291    HB3  LYS   9           1HB      LYS   9  -6.913  -3.917  -3.908
  292    HG2  LYS   9           2HG      LYS   9  -6.795  -6.417  -5.594
  293    HG3  LYS   9           1HG      LYS   9  -6.578  -4.804  -6.264
  294    HD2  LYS   9           2HD      LYS   9  -4.776  -4.539  -4.452
  295    HD3  LYS   9           1HD      LYS   9  -4.849  -6.294  -4.314
  296    HE2  LYS   9           2HE      LYS   9  -4.171  -4.707  -6.806
  297    HE3  LYS   9           1HE      LYS   9  -3.041  -5.601  -5.805
  298    HZ1  LYS   9           3HZ      LYS   9  -4.281  -7.669  -6.484
  299    HZ2  LYS   9           1HZ      LYS   9  -3.545  -6.843  -7.754
  300    HZ3  LYS   9           2HZ      LYS   9  -5.180  -6.705  -7.531
  301    H    CYS  10           H        CYS  10  -6.226  -4.263  -1.505
  302    HA   CYS  10           HA       CYS  10  -3.997  -6.074  -1.265
  303    HB2  CYS  10           2HB      CYS  10  -4.663  -3.697   0.470
  304    HB3  CYS  10           1HB      CYS  10  -3.081  -4.428   0.219
  305    H    CYS  11           H        CYS  11  -6.902  -5.555   0.592
  306    HA   CYS  11           HA       CYS  11  -5.904  -6.964   2.870
  307    HB2  CYS  11           2HB      CYS  11  -7.675  -5.228   3.022
  308    HB3  CYS  11           1HB      CYS  11  -8.749  -6.278   2.125
  309    H    HIS  12           H        HIS  12  -7.873  -7.737   0.036
  310    HA   HIS  12           HA       HIS  12  -8.582 -10.328   1.033
  311    HB2  HIS  12           2HB      HIS  12  -8.879  -9.023  -1.650
  312    HB3  HIS  12           1HB      HIS  12  -9.404 -10.666  -1.336
  313    HD1  HIS  12           1HD      HIS  12 -11.831  -9.466  -2.020
  314    HD2  HIS  12           2HD      HIS  12 -10.127  -8.419   1.605
  315    HE1  HIS  12           1HE      HIS  12 -13.665  -8.388  -0.682
  316    H    VAL  13           H        VAL  13  -6.529  -9.176  -1.534
  317    HA   VAL  13           HA       VAL  13  -5.201 -11.784  -1.469
  318    HB   VAL  13           HB       VAL  13  -4.569 -11.355  -3.860
  319   HG11  VAL  13          1HG1      VAL  13  -6.807 -12.130  -4.701
  320   HG12  VAL  13          2HG1      VAL  13  -7.509 -11.609  -3.166
  321   HG13  VAL  13          3HG1      VAL  13  -6.357 -12.943  -3.195
  322   HG21  VAL  13          3HG2      VAL  13  -5.065  -8.977  -4.009
  323   HG22  VAL  13          1HG2      VAL  13  -6.768  -9.292  -3.679
  324   HG23  VAL  13          2HG2      VAL  13  -6.040  -9.866  -5.179
  325    H    GLY  14           H        GLY  14  -4.641  -8.412  -2.153
  326    HA2  GLY  14           2HA      GLY  14  -2.699  -7.488  -0.748
  327    HA3  GLY  14           1HA      GLY  14  -1.812  -8.811  -1.397
  328    H    CYS  15           H        CYS  15  -0.957  -6.278  -1.714
  329    HA   CYS  15           HA       CYS  15  -1.105  -5.978  -4.597
  330    HB2  CYS  15           2HB      CYS  15  -1.484  -3.565  -4.408
  331    HB3  CYS  15           1HB      CYS  15  -2.849  -4.506  -3.829
  332    H    THR  16           H        THR  16   0.543  -4.432  -5.343
  333    HA   THR  16           HA       THR  16   2.929  -4.827  -3.938
  334    HB   THR  16           HB       THR  16   3.756  -3.278  -5.828
  335    HG1  THR  16           1HG      THR  16   2.264  -3.157  -7.584
  336   HG21  THR  16          3HG2      THR  16   3.689  -5.133  -7.449
  337   HG22  THR  16          1HG2      THR  16   2.456  -5.939  -6.478
  338   HG23  THR  16          2HG2      THR  16   4.089  -5.705  -5.840
  339    H    LYS  17           H        LYS  17   4.222  -3.192  -3.266
  340    HA   LYS  17           HA       LYS  17   2.914  -1.203  -1.595
  341    HB2  LYS  17           2HB      LYS  17   5.128  -2.538  -1.307
  342    HB3  LYS  17           1HB      LYS  17   5.858  -1.293  -2.294
  343    HG2  LYS  17           2HG      LYS  17   6.293  -0.838  -0.005
  344    HG3  LYS  17           1HG      LYS  17   5.129   0.348  -0.592
  345    HD2  LYS  17           2HD      LYS  17   3.305  -0.923   0.444
  346    HD3  LYS  17           1HD      LYS  17   4.455  -2.141   0.988
  347    HE2  LYS  17           2HE      LYS  17   4.430   0.763   1.833
  348    HE3  LYS  17           1HE      LYS  17   3.808  -0.585   2.775
  349    HZ1  LYS  17           3HZ      LYS  17   6.004   0.063   3.498
  350    HZ2  LYS  17           1HZ      LYS  17   6.671  -0.238   1.994
  351    HZ3  LYS  17           2HZ      LYS  17   6.045  -1.490   2.911
  352    H    ARG  18           H        ARG  18   4.462  -1.210  -4.695
  353    HA   ARG  18           HA       ARG  18   4.378   1.557  -5.229
  354    HB2  ARG  18           2HB      ARG  18   4.320  -0.875  -7.003
  355    HB3  ARG  18           1HB      ARG  18   4.254   0.752  -7.658
  356    HG2  ARG  18           2HG      ARG  18   6.398   1.268  -6.737
  357    HG3  ARG  18           1HG      ARG  18   6.471  -0.287  -5.909
  358    HD2  ARG  18           2HD      ARG  18   6.618  -1.463  -7.966
  359    HD3  ARG  18           1HD      ARG  18   6.215  -0.026  -8.900
  360    HE   ARG  18           HE       ARG  18   8.512   0.451  -7.379
  361   HH11  ARG  18          1HH1      ARG  18   7.547  -1.525 -10.152
  362   HH12  ARG  18          2HH1      ARG  18   9.031  -1.366 -10.966
  363   HH21  ARG  18          1HH2      ARG  18  10.587   0.660  -8.502
  364   HH22  ARG  18          2HH2      ARG  18  10.757  -0.084 -10.032
  365    H    SER  19           H        SER  19   1.925  -0.883  -5.171
  366    HA   SER  19           HA       SER  19   0.056   0.523  -6.777
  367    HB2  SER  19           2HB      SER  19   0.034  -1.925  -6.567
  368    HB3  SER  19           1HB      SER  19  -0.344  -1.814  -4.867
  369    HG   SER  19           HG       SER  19  -2.298  -0.635  -5.584
  370    H    LEU  20           H        LEU  20   0.650   0.143  -3.311
  371    HA   LEU  20           HA       LEU  20  -1.521   2.004  -2.673
  372    HB2  LEU  20           2HB      LEU  20   0.729   1.612  -0.666
  373    HB3  LEU  20           1HB      LEU  20  -0.929   2.007  -0.440
  374    HG   LEU  20           HG       LEU  20  -1.487  -0.386  -1.170
  375   HD11  LEU  20          1HD1      LEU  20   0.215  -2.020  -0.641
  376   HD12  LEU  20          2HD1      LEU  20   1.371  -0.722  -0.360
  377   HD13  LEU  20          3HD1      LEU  20   0.720  -0.991  -1.981
  378   HD21  LEU  20          3HD2      LEU  20  -1.835   0.422   1.080
  379   HD22  LEU  20          1HD2      LEU  20  -0.113   0.196   1.430
  380   HD23  LEU  20          2HD2      LEU  20  -1.136  -1.201   1.107
  381    H    ALA  21           H        ALA  21   1.746   2.244  -3.417
  382    HA   ALA  21           HA       ALA  21   2.244   4.917  -2.685
  383    HB1  ALA  21           1HB      ALA  21   4.095   4.913  -4.206
  384    HB2  ALA  21           2HB      ALA  21   3.388   3.587  -5.120
  385    HB3  ALA  21           3HB      ALA  21   3.975   3.301  -3.485
  386    H    ARG  22           H        ARG  22   0.635   3.671  -5.524
  387    HA   ARG  22           HA       ARG  22   0.493   6.316  -6.685
  388    HB2  ARG  22           2HB      ARG  22  -0.709   5.247  -8.569
  389    HB3  ARG  22           1HB      ARG  22   0.842   4.507  -8.235
  390    HG2  ARG  22           2HG      ARG  22  -0.352   2.686  -7.031
  391    HG3  ARG  22           1HG      ARG  22  -1.878   3.413  -7.539
  392    HD2  ARG  22           2HD      ARG  22  -1.283   3.119  -9.870
  393    HD3  ARG  22           1HD      ARG  22   0.300   2.503  -9.417
  394    HE   ARG  22           HE       ARG  22  -2.196   1.110  -8.705
  395   HH11  ARG  22          1HH1      ARG  22   1.098   1.036 -10.026
  396   HH12  ARG  22          2HH1      ARG  22   1.065  -0.611 -10.420
  397   HH21  ARG  22          1HH2      ARG  22  -2.208  -1.217  -9.225
  398   HH22  ARG  22          2HH2      ARG  22  -0.831  -1.914  -9.940
  399    H    PHE  23           H        PHE  23  -1.074   5.149  -4.214
  400    HA   PHE  23           HA       PHE  23  -3.520   6.627  -4.892
  401    HB2  PHE  23           2HB      PHE  23  -3.293   4.132  -3.223
  402    HB3  PHE  23           1HB      PHE  23  -4.674   5.212  -3.097
  403    HD1  PHE  23           1HD      PHE  23  -2.871   2.907  -5.321
  404    HD2  PHE  23           2HD      PHE  23  -6.369   5.234  -4.747
  405    HE1  PHE  23           1HE      PHE  23  -3.936   1.746  -7.189
  406    HE2  PHE  23           2HE      PHE  23  -7.447   4.085  -6.621
  407    HZ   PHE  23           HZ       PHE  23  -6.237   2.330  -7.851
  408    H    CYS  24           H        CYS  24  -1.792   5.479  -2.118
  409    HA   CYS  24           HA       CYS  24  -1.167   6.408  -0.146
  410    HB2  CYS  24           2HB      CYS  24  -1.762   9.100  -1.412
  411    HB3  CYS  24           1HB      CYS  24  -0.926   8.856   0.112
  412    HN1  NH2  25           HT1      CYS  24  -3.782   8.641  -1.053
  413    HN2  NH2  25           HT2      CYS  24  -4.764   8.255   0.321
  Start of MODEL   11
    1    H1   ASP   1           1HT      ASP   1  10.129  -5.908   2.617
    2    H2   ASP   1           2HT      ASP   1  11.483  -5.837   1.620
    3    H3   ASP   1           3HT      ASP   1   9.922  -5.654   0.978
    4    HA   ASP   1           HA       ASP   1   9.546  -3.646   2.054
    5    HB2  ASP   1           2HB      ASP   1  12.253  -4.039   3.317
    6    HB3  ASP   1           1HB      ASP   1  11.444  -2.482   3.242
    7    H    SER   2           H        SER   2  11.978  -4.881  -0.038
    8    HA   SER   2           HA       SER   2  13.002  -2.417  -0.936
    9    HB2  SER   2           2HB      SER   2  12.611  -4.892  -2.533
   10    HB3  SER   2           1HB      SER   2  13.854  -3.684  -2.770
   11    HG   SER   2           HG       SER   2  14.541  -4.266  -0.529
   12    H    TRP   3           H        TRP   3  12.218  -1.109  -2.416
   13    HA   TRP   3           HA       TRP   3   9.374  -0.952  -2.400
   14    HB2  TRP   3           2HB      TRP   3  11.332   0.918  -3.707
   15    HB3  TRP   3           1HB      TRP   3   9.602   1.210  -3.578
   16    HD1  TRP   3           HD       TRP   3  12.683   2.072  -1.893
   17    HE1  TRP   3           1HE      TRP   3  12.278   2.840   0.514
   18    HE3  TRP   3           3HE      TRP   3   7.885   0.406  -1.298
   19    HZ2  TRP   3           2HZ      TRP   3  10.211   2.751   2.430
   20    HZ3  TRP   3           3HZ      TRP   3   6.783   0.762   0.839
   21    HH2  TRP   3           HH       TRP   3   7.912   1.921   2.680
   22    H    MET   4           H        MET   4  11.489  -2.112  -4.851
   23    HA   MET   4           HA       MET   4   9.530  -1.589  -6.903
   24    HB2  MET   4           2HB      MET   4  11.926  -1.578  -7.481
   25    HB3  MET   4           1HB      MET   4  12.031  -3.277  -7.056
   26    HG2  MET   4           2HG      MET   4  11.892  -2.990  -9.463
   27    HG3  MET   4           1HG      MET   4  10.486  -3.850  -8.837
   28    HE1  MET   4           3HE      MET   4  11.859  -0.456 -10.253
   29    HE2  MET   4           1HE      MET   4  11.214   0.049  -8.691
   30    HE3  MET   4           2HE      MET   4  10.435   0.581 -10.180
   31    H    GLU   5           H        GLU   5  10.704  -4.419  -5.161
   32    HA   GLU   5           HA       GLU   5   8.416  -5.837  -6.252
   33    HB2  GLU   5           2HB      GLU   5  11.068  -6.897  -5.341
   34    HB3  GLU   5           1HB      GLU   5   9.672  -7.943  -5.577
   35    HG2  GLU   5           2HG      GLU   5  10.876  -6.163  -7.680
   36    HG3  GLU   5           1HG      GLU   5  11.191  -7.891  -7.516
   37    H    GLU   6           H        GLU   6   6.906  -5.331  -4.914
   38    HA   GLU   6           HA       GLU   6   7.018  -6.411  -2.222
   39    HB2  GLU   6           2HB      GLU   6   6.574  -3.536  -2.896
   40    HB3  GLU   6           1HB      GLU   6   5.797  -4.292  -1.515
   41    HG2  GLU   6           2HG      GLU   6   8.745  -4.316  -1.894
   42    HG3  GLU   6           1HG      GLU   6   7.890  -3.002  -1.088
   43    H    VAL   7           H        VAL   7   5.253  -7.478  -1.915
   44    HA   VAL   7           HA       VAL   7   2.720  -6.426  -2.592
   45    HB   VAL   7           HB       VAL   7   3.074  -7.644  -4.681
   46   HG11  VAL   7          1HG1      VAL   7   3.485 -10.058  -4.779
   47   HG12  VAL   7          2HG1      VAL   7   3.683 -10.081  -3.026
   48   HG13  VAL   7          3HG1      VAL   7   4.819  -9.179  -4.029
   49   HG21  VAL   7          3HG2      VAL   7   0.813  -7.739  -3.774
   50   HG22  VAL   7          1HG2      VAL   7   1.217  -9.190  -2.865
   51   HG23  VAL   7          2HG2      VAL   7   1.184  -9.236  -4.626
   52    H    ILE   8           H        ILE   8   1.773  -6.471  -0.780
   53    HA   ILE   8           HA       ILE   8   1.993  -8.816   0.942
   54    HB   ILE   8           HB       ILE   8   2.123  -7.388   2.952
   55   HG12  ILE   8          2HG1      ILE   8   2.528  -5.121   1.004
   56   HG13  ILE   8          1HG1      ILE   8   1.117  -5.370   2.008
   57   HG21  ILE   8          1HG2      ILE   8   4.403  -6.917   1.050
   58   HG22  ILE   8          2HG2      ILE   8   4.192  -8.312   2.110
   59   HG23  ILE   8          3HG2      ILE   8   4.474  -6.713   2.800
   60   HD11  ILE   8          3HD1      ILE   8   3.892  -4.771   3.025
   61   HD12  ILE   8          1HD1      ILE   8   2.461  -5.028   4.023
   62   HD13  ILE   8          2HD1      ILE   8   2.545  -3.635   2.945
   63    H    LYS   9           H        LYS   9   0.349  -8.514   2.737
   64    HA   LYS   9           HA       LYS   9  -2.001  -7.243   1.606
   65    HB2  LYS   9           2HB      LYS   9  -3.391  -8.911   2.869
   66    HB3  LYS   9           1HB      LYS   9  -2.424  -9.601   1.577
   67    HG2  LYS   9           2HG      LYS   9  -0.831 -10.453   3.172
   68    HG3  LYS   9           1HG      LYS   9  -1.689  -9.664   4.494
   69    HD2  LYS   9           2HD      LYS   9  -2.186 -12.070   4.350
   70    HD3  LYS   9           1HD      LYS   9  -3.629 -11.085   4.121
   71    HE2  LYS   9           2HE      LYS   9  -3.547 -11.452   1.743
   72    HE3  LYS   9           1HE      LYS   9  -1.995 -12.276   1.878
   73    HZ1  LYS   9           3HZ      LYS   9  -4.561 -13.235   3.052
   74    HZ2  LYS   9           1HZ      LYS   9  -3.083 -14.017   3.154
   75    HZ3  LYS   9           2HZ      LYS   9  -3.843 -13.856   1.669
   76    H    LEU  10           H        LEU  10  -3.193  -5.989   2.935
   77    HA   LEU  10           HA       LEU  10  -2.722  -5.769   5.732
   78    HB2  LEU  10           2HB      LEU  10  -2.321  -3.337   5.665
   79    HB3  LEU  10           1HB      LEU  10  -0.867  -4.076   5.289
   80    HG   LEU  10           HG       LEU  10  -2.741  -2.564   3.725
   81   HD11  LEU  10          1HD1      LEU  10  -0.797  -1.522   4.975
   82   HD12  LEU  10          2HD1      LEU  10  -0.670  -1.234   3.242
   83   HD13  LEU  10          3HD1      LEU  10   0.298  -2.496   3.995
   84   HD21  LEU  10          3HD2      LEU  10  -0.513  -4.174   2.501
   85   HD22  LEU  10          1HD2      LEU  10  -1.398  -2.909   1.651
   86   HD23  LEU  10          2HD2      LEU  10  -2.241  -4.360   2.199
   87    H    CYS  11           H        CYS  11  -4.028  -3.897   6.524
   88    HA   CYS  11           HA       CYS  11  -6.489  -3.486   5.056
   89    HB2  CYS  11           2HB      CYS  11  -6.530  -5.108   7.562
   90    HB3  CYS  11           1HB      CYS  11  -7.921  -4.645   6.610
   91    H    GLY  12           H        GLY  12  -7.902  -2.124   6.269
   92    HA2  GLY  12           2HA      GLY  12  -8.380  -0.279   7.606
   93    HA3  GLY  12           1HA      GLY  12  -7.784  -1.330   8.860
   94    H    ARG  13           H        ARG  13  -6.508  -0.448  10.052
   95    HA   ARG  13           HA       ARG  13  -5.209   2.042   9.685
   96    HB2  ARG  13           2HB      ARG  13  -4.533  -0.076  11.742
   97    HB3  ARG  13           1HB      ARG  13  -4.181   1.640  11.843
   98    HG2  ARG  13           2HG      ARG  13  -6.593   2.116  11.975
   99    HG3  ARG  13           1HG      ARG  13  -6.921   0.388  11.888
  100    HD2  ARG  13           2HD      ARG  13  -5.585   0.079  13.960
  101    HD3  ARG  13           1HD      ARG  13  -5.412   1.832  14.059
  102    HE   ARG  13           HE       ARG  13  -8.117   1.292  13.847
  103   HH11  ARG  13          1HH1      ARG  13  -5.548   0.884  16.222
  104   HH12  ARG  13          2HH1      ARG  13  -6.592   0.657  17.543
  105   HH21  ARG  13          1HH2      ARG  13  -9.568   1.059  15.673
  106   HH22  ARG  13          2HH2      ARG  13  -8.935   0.777  17.222
  107    H    GLU  14           H        GLU  14  -4.171  -1.315   9.427
  108    HA   GLU  14           HA       GLU  14  -1.408  -0.839   9.157
  109    HB2  GLU  14           2HB      GLU  14  -3.140  -3.054   8.127
  110    HB3  GLU  14           1HB      GLU  14  -1.400  -3.034   7.939
  111    HG2  GLU  14           2HG      GLU  14  -1.203  -2.976  10.411
  112    HG3  GLU  14           1HG      GLU  14  -2.960  -3.139  10.506
  113    H    LEU  15           H        LEU  15  -4.060  -0.847   6.820
  114    HA   LEU  15           HA       LEU  15  -2.543  -0.887   4.518
  115    HB2  LEU  15           2HB      LEU  15  -5.182   0.507   5.057
  116    HB3  LEU  15           1HB      LEU  15  -4.448   0.586   3.483
  117    HG   LEU  15           HG       LEU  15  -5.114  -2.069   4.706
  118   HD11  LEU  15          1HD1      LEU  15  -7.306  -1.879   3.588
  119   HD12  LEU  15          2HD1      LEU  15  -6.950  -0.199   3.168
  120   HD13  LEU  15          3HD1      LEU  15  -7.134  -0.676   4.860
  121   HD21  LEU  15          3HD2      LEU  15  -3.784  -1.706   2.517
  122   HD22  LEU  15          1HD2      LEU  15  -5.320  -1.165   1.865
  123   HD23  LEU  15          2HD2      LEU  15  -5.163  -2.815   2.514
  124    H    VAL  16           H        VAL  16  -3.745   1.658   6.586
  125    HA   VAL  16           HA       VAL  16  -2.817   3.931   5.142
  126    HB   VAL  16           HB       VAL  16  -3.597   3.652   8.068
  127   HG11  VAL  16          1HG1      VAL  16  -3.917   6.054   8.089
  128   HG12  VAL  16          2HG1      VAL  16  -3.341   6.165   6.424
  129   HG13  VAL  16          3HG1      VAL  16  -2.241   5.656   7.708
  130   HG21  VAL  16          3HG2      VAL  16  -5.734   4.603   7.374
  131   HG22  VAL  16          1HG2      VAL  16  -5.398   3.074   6.560
  132   HG23  VAL  16          2HG2      VAL  16  -5.184   4.603   5.700
  133    H    ARG  17           H        ARG  17  -1.530   2.142   7.850
  134    HA   ARG  17           HA       ARG  17   0.654   3.755   8.406
  135    HB2  ARG  17           2HB      ARG  17   0.004   0.923   8.916
  136    HB3  ARG  17           1HB      ARG  17   1.700   1.330   9.045
  137    HG2  ARG  17           2HG      ARG  17   0.451   1.414  11.203
  138    HG3  ARG  17           1HG      ARG  17   1.243   2.931  10.787
  139    HD2  ARG  17           2HD      ARG  17  -0.862   3.837   9.996
  140    HD3  ARG  17           1HD      ARG  17  -1.657   2.300  10.289
  141    HE   ARG  17           HE       ARG  17  -0.882   2.765  12.693
  142   HH11  ARG  17          1HH1      ARG  17  -1.778   5.337  10.465
  143   HH12  ARG  17          2HH1      ARG  17  -2.723   6.210  11.573
  144   HH21  ARG  17          1HH2      ARG  17  -2.141   3.988  14.267
  145   HH22  ARG  17          2HH2      ARG  17  -2.926   5.427  13.807
  146    H    ALA  18           H        ALA  18   0.453   1.186   6.075
  147    HA   ALA  18           HA       ALA  18   3.186   1.567   5.272
  148    HB1  ALA  18           1HB      ALA  18   2.726   0.037   3.438
  149    HB2  ALA  18           2HB      ALA  18   1.002   0.106   3.802
  150    HB3  ALA  18           3HB      ALA  18   2.120  -0.617   4.959
  151    H    GLN  19           H        GLN  19   0.022   2.493   3.939
  152    HA   GLN  19           HA       GLN  19   0.848   3.633   1.558
  153    HB2  GLN  19           2HB      GLN  19  -1.428   3.982   3.393
  154    HB3  GLN  19           1HB      GLN  19  -1.275   5.174   2.131
  155    HG2  GLN  19           2HG      GLN  19  -1.340   3.425   0.475
  156    HG3  GLN  19           1HG      GLN  19  -1.412   2.174   1.737
  157   HE21  GLN  19          1HE2      GLN  19  -3.238   2.708  -0.448
  158   HE22  GLN  19          2HE2      GLN  19  -4.758   3.083   0.280
  159    H    ILE  20           H        ILE  20   0.268   5.242   4.644
  160    HA   ILE  20           HA       ILE  20   1.130   7.792   3.834
  161    HB   ILE  20           HB       ILE  20   0.906   6.597   6.609
  162   HG12  ILE  20          2HG1      ILE  20  -1.220   6.667   5.457
  163   HG13  ILE  20          1HG1      ILE  20  -1.200   7.876   6.732
  164   HG21  ILE  20          1HG2      ILE  20   2.421   8.486   6.695
  165   HG22  ILE  20          2HG2      ILE  20   0.890   8.885   7.476
  166   HG23  ILE  20          3HG2      ILE  20   1.240   9.493   5.858
  167   HD11  ILE  20          3HD1      ILE  20  -0.772   9.613   5.038
  168   HD12  ILE  20          1HD1      ILE  20  -2.276   8.738   4.753
  169   HD13  ILE  20          2HD1      ILE  20  -0.858   8.379   3.778
  170    H    ALA  21           H        ALA  21   2.877   5.079   5.259
  171    HA   ALA  21           HA       ALA  21   5.280   6.433   5.792
  172    HB1  ALA  21           1HB      ALA  21   4.802   4.189   6.663
  173    HB2  ALA  21           2HB      ALA  21   6.334   4.232   5.787
  174    HB3  ALA  21           3HB      ALA  21   4.903   3.540   5.027
  175    H    ILE  22           H        ILE  22   4.238   4.632   2.929
  176    HA   ILE  22           HA       ILE  22   6.623   5.065   1.403
  177    HB   ILE  22           HB       ILE  22   3.861   4.628   0.235
  178   HG12  ILE  22          2HG1      ILE  22   5.785   2.473   1.080
  179   HG13  ILE  22          1HG1      ILE  22   4.442   2.994   2.088
  180   HG21  ILE  22          1HG2      ILE  22   5.632   5.143  -1.369
  181   HG22  ILE  22          2HG2      ILE  22   5.183   3.438  -1.510
  182   HG23  ILE  22          3HG2      ILE  22   6.657   3.894  -0.666
  183   HD11  ILE  22          3HD1      ILE  22   2.878   2.367   0.329
  184   HD12  ILE  22          1HD1      ILE  22   3.859   1.004   0.859
  185   HD13  ILE  22          2HD1      ILE  22   4.222   1.820  -0.669
  186    H    CYS  23           H        CYS  23   3.736   6.843   1.976
  187    HA   CYS  23           HA       CYS  23   3.836   8.580  -0.279
  188    HB2  CYS  23           2HB      CYS  23   1.830   7.864   1.144
  189    HB3  CYS  23           1HB      CYS  23   2.389   9.031   2.324
  190    H    GLY  24           H        GLY  24   5.265   8.545   2.878
  191    HA2  GLY  24           2HA      GLY  24   6.188  11.318   2.555
  192    HA3  GLY  24           1HA      GLY  24   6.252  10.393   4.050
  193    H    MET  25           H        MET  25   7.279   8.008   2.713
  194    HA   MET  25           HA       MET  25  10.017   8.896   2.323
  195    HB2  MET  25           2HB      MET  25   8.978   6.193   3.224
  196    HB3  MET  25           1HB      MET  25  10.667   6.566   2.933
  197    HG2  MET  25           2HG      MET  25   8.904   7.769   5.057
  198    HG3  MET  25           1HG      MET  25  10.181   6.579   5.301
  199    HE1  MET  25           3HE      MET  25  11.748   9.716   6.986
  200    HE2  MET  25           1HE      MET  25  11.359   8.003   7.154
  201    HE3  MET  25           2HE      MET  25  10.064   9.195   7.032
  202    H    SER  26           H        SER  26   8.913   9.382   0.309
  203    HA   SER  26           HA       SER  26   8.433   7.258  -1.578
  204    HB2  SER  26           2HB      SER  26   8.621  10.235  -1.953
  205    HB3  SER  26           1HB      SER  26   7.992   9.066  -3.119
  206    HG   SER  26           HG       SER  26   6.763   8.567  -0.871
  207    H    THR  27           H        THR  27  11.111   7.401  -0.435
  208    HA   THR  27           HA       THR  27  12.691   7.428  -2.824
  209    HB   THR  27           HB       THR  27  13.693   8.554  -0.204
  210    HG1  THR  27           1HG      THR  27  12.873  10.229  -2.355
  211   HG21  THR  27          3HG2      THR  27  15.331   9.712  -1.674
  212   HG22  THR  27          1HG2      THR  27  14.591   8.940  -3.072
  213   HG23  THR  27          2HG2      THR  27  15.401   7.963  -1.841
  214    H    TRP  28           H        TRP  28  14.742   6.279  -1.953
  215    HA   TRP  28           HA       TRP  28  13.848   3.990  -0.460
  216    HB2  TRP  28           2HB      TRP  28  16.446   4.568  -1.874
  217    HB3  TRP  28           1HB      TRP  28  16.218   3.136  -0.879
  218    HD1  TRP  28           HD       TRP  28  14.922   1.155  -1.892
  219    HE1  TRP  28           1HE      TRP  28  13.929   0.639  -4.190
  220    HE3  TRP  28           3HE      TRP  28  15.216   5.818  -3.980
  221    HZ2  TRP  28           2HZ      TRP  28  13.334   2.006  -6.578
  222    HZ3  TRP  28           3HZ      TRP  28  14.409   6.117  -6.282
  223    HH2  TRP  28           HH       TRP  28  13.488   4.249  -7.550
  224    H    SER  29           H        SER  29  13.430   5.129   1.386
  225    HA   SER  29           HA       SER  29  15.752   5.795   3.045
  226    HB2  SER  29           2HB      SER  29  12.872   6.663   3.400
  227    HB3  SER  29           1HB      SER  29  14.288   7.288   4.245
  228    HG   SER  29           HG       SER  29  15.005   7.830   1.965
  229    HN1  NH2  30           HT1      SER  29  16.084   3.734   3.810
  230    HN2  NH2  30           HT2      SER  29  14.929   2.815   4.711
  231    HA   PCA   1           HA       PCA   1 -13.624   4.682  -6.835
  232    HB2  PCA   1           2HB      PCA   1 -12.538   4.925  -4.214
  233    HB3  PCA   1           1HB      PCA   1 -13.631   6.081  -5.023
  234    HG2  PCA   1           2HG      PCA   1 -14.217   4.323  -2.816
  235    HG3  PCA   1           1HG      PCA   1 -15.352   5.425  -3.668
  236    H    LEU   2           H        LEU   2 -11.308   4.636  -6.875
  237    HA   LEU   2           HA       LEU   2 -10.307   1.984  -7.000
  238    HB2  LEU   2           2HB      LEU   2  -8.913   4.633  -7.290
  239    HB3  LEU   2           1HB      LEU   2  -8.148   3.086  -7.581
  240    HG   LEU   2           HG       LEU   2 -10.479   4.206  -9.145
  241   HD11  LEU   2          1HD1      LEU   2  -7.569   3.915  -9.869
  242   HD12  LEU   2          2HD1      LEU   2  -8.421   5.429  -9.564
  243   HD13  LEU   2          3HD1      LEU   2  -8.853   4.438 -10.957
  244   HD21  LEU   2          3HD2      LEU   2  -8.835   1.702  -9.551
  245   HD22  LEU   2          1HD2      LEU   2 -10.045   2.325 -10.671
  246   HD23  LEU   2          2HD2      LEU   2 -10.534   1.770  -9.076
  247    H    TYR   3           H        TYR   3 -10.049   4.562  -4.685
  248    HA   TYR   3           HA       TYR   3  -7.981   3.534  -3.072
  249    HB2  TYR   3           2HB      TYR   3 -10.379   5.208  -2.349
  250    HB3  TYR   3           1HB      TYR   3  -9.226   4.683  -1.138
  251    HD1  TYR   3           2HD      TYR   3  -6.725   5.264  -1.696
  252    HD2  TYR   3           1HD      TYR   3 -10.084   7.265  -3.345
  253    HE1  TYR   3           2HE      TYR   3  -5.327   7.215  -2.137
  254    HE2  TYR   3           1HE      TYR   3  -8.694   9.234  -3.796
  255    HH   TYR   3           HH       TYR   3  -5.275   9.164  -3.542
  256    H    SER   4           H        SER   4 -11.487   3.125  -2.666
  257    HA   SER   4           HA       SER   4 -11.307   1.282  -0.580
  258    HB2  SER   4           2HB      SER   4 -13.552   1.686  -2.555
  259    HB3  SER   4           1HB      SER   4 -13.674   0.999  -0.931
  260    HG   SER   4           HG       SER   4 -14.029   2.955  -0.367
  261    H    ALA   5           H        ALA   5 -11.314   0.897  -4.079
  262    HA   ALA   5           HA       ALA   5 -11.684  -1.891  -4.161
  263    HB1  ALA   5           1HB      ALA   5 -10.105  -0.149  -6.063
  264    HB2  ALA   5           2HB      ALA   5 -11.838  -0.462  -6.166
  265    HB3  ALA   5           3HB      ALA   5 -10.686  -1.780  -6.395
  266    H    LEU   6           H        LEU   6  -8.730   0.095  -4.162
  267    HA   LEU   6           HA       LEU   6  -6.855  -1.980  -4.043
  268    HB2  LEU   6           2HB      LEU   6  -6.238   0.357  -4.510
  269    HB3  LEU   6           1HB      LEU   6  -6.708   0.821  -2.889
  270    HG   LEU   6           HG       LEU   6  -4.893  -0.608  -1.990
  271   HD11  LEU   6          1HD1      LEU   6  -4.136  -0.901  -4.881
  272   HD12  LEU   6          2HD1      LEU   6  -4.700  -2.182  -3.804
  273   HD13  LEU   6          3HD1      LEU   6  -3.151  -1.397  -3.508
  274   HD21  LEU   6          3HD2      LEU   6  -4.471   1.773  -2.255
  275   HD22  LEU   6          1HD2      LEU   6  -4.029   1.529  -3.944
  276   HD23  LEU   6          2HD2      LEU   6  -3.014   0.879  -2.666
  277    H    ALA   7           H        ALA   7  -8.442  -0.167  -1.458
  278    HA   ALA   7           HA       ALA   7  -7.207  -1.283   0.739
  279    HB1  ALA   7           1HB      ALA   7  -9.178  -0.623   2.016
  280    HB2  ALA   7           2HB      ALA   7 -10.098  -0.452   0.520
  281    HB3  ALA   7           3HB      ALA   7  -8.743   0.627   0.849
  282    H    ASN   8           H        ASN   8 -10.183  -2.423  -0.840
  283    HA   ASN   8           HA       ASN   8 -10.449  -4.700   0.836
  284    HB2  ASN   8           2HB      ASN   8 -11.704  -3.978  -1.793
  285    HB3  ASN   8           1HB      ASN   8 -11.969  -5.556  -1.071
  286   HD21  ASN   8          1HD2      ASN   8 -12.550  -2.150  -0.811
  287   HD22  ASN   8          2HD2      ASN   8 -13.782  -2.242   0.375
  288    H    LYS   9           H        LYS   9  -9.170  -4.330  -2.426
  289    HA   LYS   9           HA       LYS   9  -8.626  -7.043  -2.850
  290    HB2  LYS   9           2HB      LYS   9  -7.506  -4.543  -4.022
  291    HB3  LYS   9           1HB      LYS   9  -6.951  -6.094  -4.588
  292    HG2  LYS   9           2HG      LYS   9  -9.332  -6.637  -5.145
  293    HG3  LYS   9           1HG      LYS   9  -9.757  -4.990  -4.681
  294    HD2  LYS   9           2HD      LYS   9  -9.514  -5.102  -7.081
  295    HD3  LYS   9           1HD      LYS   9  -8.196  -4.151  -6.405
  296    HE2  LYS   9           2HE      LYS   9  -6.685  -6.040  -6.603
  297    HE3  LYS   9           1HE      LYS   9  -8.005  -7.068  -7.163
  298    HZ1  LYS   9           3HZ      LYS   9  -8.206  -5.661  -9.101
  299    HZ2  LYS   9           1HZ      LYS   9  -6.640  -6.278  -8.989
  300    HZ3  LYS   9           2HZ      LYS   9  -6.950  -4.679  -8.559
  301    H    CYS  10           H        CYS  10  -6.564  -4.519  -1.521
  302    HA   CYS  10           HA       CYS  10  -4.298  -6.294  -1.362
  303    HB2  CYS  10           2HB      CYS  10  -4.411  -3.697  -1.625
  304    HB3  CYS  10           1HB      CYS  10  -4.586  -3.709   0.124
  305    H    CYS  11           H        CYS  11  -7.045  -5.627   0.579
  306    HA   CYS  11           HA       CYS  11  -5.897  -6.570   3.027
  307    HB2  CYS  11           2HB      CYS  11  -7.778  -4.972   2.938
  308    HB3  CYS  11           1HB      CYS  11  -8.778  -6.204   2.203
  309    H    HIS  12           H        HIS  12  -7.714  -7.887   0.353
  310    HA   HIS  12           HA       HIS  12  -7.973 -10.442   1.702
  311    HB2  HIS  12           2HB      HIS  12  -9.022  -9.464  -0.950
  312    HB3  HIS  12           1HB      HIS  12  -9.154 -11.142  -0.439
  313    HD1  HIS  12           1HD      HIS  12 -11.492 -11.535   0.368
  314    HD2  HIS  12           2HD      HIS  12 -10.061  -7.797   1.403
  315    HE1  HIS  12           1HE      HIS  12 -13.310 -10.469   1.759
  316    H    VAL  13           H        VAL  13  -6.671  -9.438  -1.445
  317    HA   VAL  13           HA       VAL  13  -5.098 -11.880  -1.335
  318    HB   VAL  13           HB       VAL  13  -4.623 -11.511  -3.741
  319   HG11  VAL  13          1HG1      VAL  13  -7.539 -11.600  -2.948
  320   HG12  VAL  13          2HG1      VAL  13  -6.447 -12.982  -3.030
  321   HG13  VAL  13          3HG1      VAL  13  -6.924 -12.142  -4.512
  322   HG21  VAL  13          3HG2      VAL  13  -4.976  -9.107  -3.949
  323   HG22  VAL  13          1HG2      VAL  13  -6.682  -9.301  -3.545
  324   HG23  VAL  13          2HG2      VAL  13  -6.053  -9.964  -5.052
  325    H    GLY  14           H        GLY  14  -4.680  -8.522  -2.130
  326    HA2  GLY  14           2HA      GLY  14  -2.813  -7.518  -0.708
  327    HA3  GLY  14           1HA      GLY  14  -1.816  -8.723  -1.453
  328    H    CYS  15           H        CYS  15  -0.895  -6.408  -1.943
  329    HA   CYS  15           HA       CYS  15  -1.460  -5.914  -4.718
  330    HB2  CYS  15           2HB      CYS  15  -1.969  -3.590  -4.449
  331    HB3  CYS  15           1HB      CYS  15  -3.149  -4.538  -3.559
  332    H    THR  16           H        THR  16   0.033  -4.231  -5.508
  333    HA   THR  16           HA       THR  16   2.562  -4.673  -4.391
  334    HB   THR  16           HB       THR  16   3.361  -3.068  -6.153
  335    HG1  THR  16           1HG      THR  16   0.855  -3.209  -7.383
  336   HG21  THR  16          3HG2      THR  16   1.630  -5.361  -7.097
  337   HG22  THR  16          1HG2      THR  16   3.312  -5.474  -6.584
  338   HG23  THR  16          2HG2      THR  16   2.894  -4.578  -8.044
  339    H    LYS  17           H        LYS  17   3.809  -3.290  -3.447
  340    HA   LYS  17           HA       LYS  17   2.720  -1.348  -1.579
  341    HB2  LYS  17           2HB      LYS  17   4.817  -2.805  -1.667
  342    HB3  LYS  17           1HB      LYS  17   5.606  -1.495  -2.487
  343    HG2  LYS  17           2HG      LYS  17   6.228  -1.423  -0.274
  344    HG3  LYS  17           1HG      LYS  17   5.010  -0.135  -0.396
  345    HD2  LYS  17           2HD      LYS  17   3.384  -1.507   0.675
  346    HD3  LYS  17           1HD      LYS  17   4.366  -2.956   0.463
  347    HE2  LYS  17           2HE      LYS  17   5.029  -0.609   2.239
  348    HE3  LYS  17           1HE      LYS  17   4.431  -2.178   2.777
  349    HZ1  LYS  17           3HZ      LYS  17   6.521  -3.149   1.689
  350    HZ2  LYS  17           1HZ      LYS  17   6.778  -2.196   3.049
  351    HZ3  LYS  17           2HZ      LYS  17   7.069  -1.569   1.558
  352    H    ARG  18           H        ARG  18   4.140  -1.145  -4.732
  353    HA   ARG  18           HA       ARG  18   4.257   1.682  -4.843
  354    HB2  ARG  18           2HB      ARG  18   4.341  -0.475  -6.926
  355    HB3  ARG  18           1HB      ARG  18   4.365   1.231  -7.348
  356    HG2  ARG  18           2HG      ARG  18   6.434   1.559  -6.196
  357    HG3  ARG  18           1HG      ARG  18   6.361  -0.061  -5.502
  358    HD2  ARG  18           2HD      ARG  18   6.477   0.447  -8.471
  359    HD3  ARG  18           1HD      ARG  18   7.914   0.237  -7.478
  360    HE   ARG  18           HE       ARG  18   7.315  -1.991  -7.072
  361   HH11  ARG  18          1HH1      ARG  18   5.105  -0.498  -9.391
  362   HH12  ARG  18          2HH1      ARG  18   4.540  -1.982  -9.996
  363   HH21  ARG  18          1HH2      ARG  18   6.584  -3.989  -7.945
  364   HH22  ARG  18          2HH2      ARG  18   5.435  -4.014  -9.199
  365    H    SER  19           H        SER  19   1.689  -0.597  -5.170
  366    HA   SER  19           HA       SER  19   0.053   1.089  -6.781
  367    HB2  SER  19           2HB      SER  19  -1.638  -0.621  -6.583
  368    HB3  SER  19           1HB      SER  19  -0.100  -1.506  -6.458
  369    HG   SER  19           HG       SER  19  -0.346  -1.698  -4.317
  370    H    LEU  20           H        LEU  20   0.357   0.282  -3.369
  371    HA   LEU  20           HA       LEU  20  -1.587   2.145  -2.312
  372    HB2  LEU  20           2HB      LEU  20   0.948   1.688  -0.817
  373    HB3  LEU  20           1HB      LEU  20  -0.673   1.853  -0.277
  374    HG   LEU  20           HG       LEU  20   0.101  -0.692  -1.631
  375   HD11  LEU  20          1HD1      LEU  20   1.697  -0.283   0.206
  376   HD12  LEU  20          2HD1      LEU  20   0.579  -1.593   0.589
  377   HD13  LEU  20          3HD1      LEU  20   0.346   0.003   1.302
  378   HD21  LEU  20          3HD2      LEU  20  -1.949   0.083   0.434
  379   HD22  LEU  20          1HD2      LEU  20  -1.663  -1.524  -0.241
  380   HD23  LEU  20          2HD2      LEU  20  -2.246  -0.236  -1.290
  381    H    ALA  21           H        ALA  21   1.701   2.332  -3.072
  382    HA   ALA  21           HA       ALA  21   2.287   4.904  -2.187
  383    HB1  ALA  21           1HB      ALA  21   4.152   4.907  -3.676
  384    HB2  ALA  21           2HB      ALA  21   3.390   3.684  -4.687
  385    HB3  ALA  21           3HB      ALA  21   3.926   3.263  -3.065
  386    H    ARG  22           H        ARG  22   0.706   3.955  -5.200
  387    HA   ARG  22           HA       ARG  22   0.749   6.736  -6.051
  388    HB2  ARG  22           2HB      ARG  22  -0.294   5.982  -8.177
  389    HB3  ARG  22           1HB      ARG  22   1.254   5.239  -7.841
  390    HG2  ARG  22           2HG      ARG  22   0.196   3.182  -7.236
  391    HG3  ARG  22           1HG      ARG  22  -1.404   3.923  -7.342
  392    HD2  ARG  22           2HD      ARG  22   0.528   3.691  -9.646
  393    HD3  ARG  22           1HD      ARG  22  -0.798   2.566  -9.342
  394    HE   ARG  22           HE       ARG  22  -2.176   4.770  -9.427
  395   HH11  ARG  22          1HH1      ARG  22   0.545   4.010 -11.567
  396   HH12  ARG  22          2HH1      ARG  22  -0.094   4.841 -12.893
  397   HH21  ARG  22          1HH2      ARG  22  -3.044   5.879 -11.225
  398   HH22  ARG  22          2HH2      ARG  22  -2.191   5.936 -12.716
  399    H    PHE  23           H        PHE  23  -1.033   5.348  -3.947
  400    HA   PHE  23           HA       PHE  23  -3.347   6.942  -4.730
  401    HB2  PHE  23           2HB      PHE  23  -3.379   4.291  -3.301
  402    HB3  PHE  23           1HB      PHE  23  -4.745   5.398  -3.235
  403    HD1  PHE  23           2HD      PHE  23  -5.873   6.056  -5.369
  404    HD2  PHE  23           1HD      PHE  23  -3.041   2.904  -5.174
  405    HE1  PHE  23           2HE      PHE  23  -6.701   5.178  -7.511
  406    HE2  PHE  23           1HE      PHE  23  -3.861   2.018  -7.309
  407    HZ   PHE  23           HZ       PHE  23  -5.695   3.155  -8.482
  408    H    CYS  24           H        CYS  24  -1.710   5.650  -1.966
  409    HA   CYS  24           HA       CYS  24  -1.229   6.521   0.109
  410    HB2  CYS  24           2HB      CYS  24  -0.022   8.212  -1.201
  411    HB3  CYS  24           1HB      CYS  24  -1.492   9.145  -1.405
  412    HN1  NH2  25           HT1      CYS  24  -3.254   5.656   0.898
  413    HN2  NH2  25           HT2      CYS  24  -4.506   6.726   1.409
  Start of MODEL   12
    1    H1   ASP   1           1HT      ASP   1   9.941  -2.016   2.206
    2    H2   ASP   1           2HT      ASP   1  10.217  -3.108   0.975
    3    H3   ASP   1           3HT      ASP   1   9.375  -1.700   0.644
    4    HA   ASP   1           HA       ASP   1  11.350  -0.420   1.182
    5    HB2  ASP   1           2HB      ASP   1  12.634  -3.152   1.303
    6    HB3  ASP   1           1HB      ASP   1  13.507  -1.622   1.297
    7    H    SER   2           H        SER   2  11.323  -3.383  -0.766
    8    HA   SER   2           HA       SER   2  12.374  -1.887  -2.994
    9    HB2  SER   2           2HB      SER   2  12.166  -4.117  -4.169
   10    HB3  SER   2           1HB      SER   2  13.285  -3.986  -2.803
   11    HG   SER   2           HG       SER   2  10.615  -4.874  -2.505
   12    H    TRP   3           H        TRP   3  11.065  -0.627  -3.795
   13    HA   TRP   3           HA       TRP   3   8.281  -0.633  -3.611
   14    HB2  TRP   3           2HB      TRP   3   9.914   0.894  -5.617
   15    HB3  TRP   3           1HB      TRP   3   8.256   1.245  -5.137
   16    HD1  TRP   3           HD       TRP   3  11.558   2.414  -4.502
   17    HE1  TRP   3           1HE      TRP   3  11.743   3.646  -2.237
   18    HE3  TRP   3           3HE      TRP   3   7.232   0.804  -2.373
   19    HZ2  TRP   3           2HZ      TRP   3  10.255   3.868   0.133
   20    HZ3  TRP   3           3HZ      TRP   3   6.680   1.532  -0.131
   21    HH2  TRP   3           HH       TRP   3   8.172   3.058   1.122
   22    H    MET   4           H        MET   4  10.235  -1.641  -6.364
   23    HA   MET   4           HA       MET   4   7.924  -1.914  -8.050
   24    HB2  MET   4           2HB      MET   4  10.778  -2.791  -8.494
   25    HB3  MET   4           1HB      MET   4   9.506  -2.944  -9.690
   26    HG2  MET   4           2HG      MET   4   9.231  -0.503  -9.695
   27    HG3  MET   4           1HG      MET   4  10.533  -0.366  -8.517
   28    HE1  MET   4           3HE      MET   4  12.633  -2.566  -9.556
   29    HE2  MET   4           1HE      MET   4  13.090  -0.938  -9.050
   30    HE3  MET   4           2HE      MET   4  13.648  -1.573 -10.597
   31    H    GLU   5           H        GLU   5   9.121  -3.843  -5.636
   32    HA   GLU   5           HA       GLU   5   8.046  -6.249  -6.939
   33    HB2  GLU   5           2HB      GLU   5  10.224  -6.044  -4.880
   34    HB3  GLU   5           1HB      GLU   5   9.518  -7.556  -5.438
   35    HG2  GLU   5           2HG      GLU   5  10.256  -7.087  -7.699
   36    HG3  GLU   5           1HG      GLU   5  10.930  -5.548  -7.171
   37    H    GLU   6           H        GLU   6   7.720  -4.159  -4.234
   38    HA   GLU   6           HA       GLU   6   6.676  -5.956  -2.411
   39    HB2  GLU   6           2HB      GLU   6   6.566  -3.018  -2.634
   40    HB3  GLU   6           1HB      GLU   6   5.590  -3.834  -1.436
   41    HG2  GLU   6           2HG      GLU   6   7.713  -4.895  -0.623
   42    HG3  GLU   6           1HG      GLU   6   8.569  -3.777  -1.694
   43    H    VAL   7           H        VAL   7   5.083  -6.931  -2.378
   44    HA   VAL   7           HA       VAL   7   2.482  -5.831  -3.026
   45    HB   VAL   7           HB       VAL   7   2.898  -7.325  -4.931
   46   HG11  VAL   7          1HG1      VAL   7   4.680  -8.678  -4.003
   47   HG12  VAL   7          2HG1      VAL   7   3.417  -9.686  -4.701
   48   HG13  VAL   7          3HG1      VAL   7   3.528  -9.499  -2.947
   49   HG21  VAL   7          3HG2      VAL   7   1.057  -8.662  -2.940
   50   HG22  VAL   7          1HG2      VAL   7   1.072  -8.968  -4.677
   51   HG23  VAL   7          2HG2      VAL   7   0.629  -7.377  -4.059
   52    H    ILE   8           H        ILE   8   1.488  -5.683  -1.192
   53    HA   ILE   8           HA       ILE   8   2.233  -7.649   0.765
   54    HB   ILE   8           HB       ILE   8   1.949  -5.691   2.510
   55   HG12  ILE   8          2HG1      ILE   8   3.095  -3.654   1.686
   56   HG13  ILE   8          1HG1      ILE   8   3.003  -4.313   0.051
   57   HG21  ILE   8          1HG2      ILE   8   3.863  -7.125   2.355
   58   HG22  ILE   8          2HG2      ILE   8   4.403  -5.448   2.478
   59   HG23  ILE   8          3HG2      ILE   8   4.434  -6.273   0.922
   60   HD11  ILE   8          3HD1      ILE   8   0.718  -3.441   1.797
   61   HD12  ILE   8          1HD1      ILE   8   0.543  -4.192   0.206
   62   HD13  ILE   8          2HD1      ILE   8   1.333  -2.625   0.363
   63    H    LYS   9           H        LYS   9   0.961  -7.283   2.811
   64    HA   LYS   9           HA       LYS   9  -1.848  -7.651   2.026
   65    HB2  LYS   9           2HB      LYS   9  -0.615  -9.770   2.328
   66    HB3  LYS   9           1HB      LYS   9  -0.210  -9.283   3.965
   67    HG2  LYS   9           2HG      LYS   9  -1.987 -10.848   4.069
   68    HG3  LYS   9           1HG      LYS   9  -2.644  -9.262   4.476
   69    HD2  LYS   9           2HD      LYS   9  -3.571  -9.034   2.266
   70    HD3  LYS   9           1HD      LYS   9  -2.803 -10.536   1.747
   71    HE2  LYS   9           2HE      LYS   9  -4.930 -10.237   3.859
   72    HE3  LYS   9           1HE      LYS   9  -5.149 -10.900   2.241
   73    HZ1  LYS   9           3HZ      LYS   9  -4.938 -12.640   3.868
   74    HZ2  LYS   9           1HZ      LYS   9  -3.451 -12.070   4.384
   75    HZ3  LYS   9           2HZ      LYS   9  -3.622 -12.707   2.833
   76    H    LEU  10           H        LEU  10  -3.121  -6.342   3.296
   77    HA   LEU  10           HA       LEU  10  -2.704  -5.830   6.030
   78    HB2  LEU  10           2HB      LEU  10  -2.438  -3.412   5.865
   79    HB3  LEU  10           1HB      LEU  10  -0.942  -4.072   5.497
   80    HG   LEU  10           HG       LEU  10  -2.852  -2.581   3.998
   81   HD11  LEU  10          1HD1      LEU  10   0.179  -2.717   3.986
   82   HD12  LEU  10          2HD1      LEU  10  -0.766  -1.661   5.010
   83   HD13  LEU  10          3HD1      LEU  10  -0.761  -1.419   3.254
   84   HD21  LEU  10          3HD2      LEU  10  -2.637  -4.484   2.561
   85   HD22  LEU  10          1HD2      LEU  10  -0.892  -4.344   2.537
   86   HD23  LEU  10          2HD2      LEU  10  -1.884  -3.082   1.775
   87    H    CYS  11           H        CYS  11  -4.149  -4.012   6.685
   88    HA   CYS  11           HA       CYS  11  -6.495  -3.536   5.074
   89    HB2  CYS  11           2HB      CYS  11  -6.737  -5.122   7.610
   90    HB3  CYS  11           1HB      CYS  11  -8.078  -4.558   6.635
   91    H    GLY  12           H        GLY  12  -7.969  -2.118   6.295
   92    HA2  GLY  12           2HA      GLY  12  -8.368  -0.258   7.554
   93    HA3  GLY  12           1HA      GLY  12  -7.826  -1.282   8.858
   94    H    ARG  13           H        ARG  13  -6.540  -0.348  10.029
   95    HA   ARG  13           HA       ARG  13  -5.210   2.093   9.467
   96    HB2  ARG  13           2HB      ARG  13  -4.953   0.180  11.774
   97    HB3  ARG  13           1HB      ARG  13  -4.202   1.771  11.723
   98    HG2  ARG  13           2HG      ARG  13  -6.344   2.842  11.658
   99    HG3  ARG  13           1HG      ARG  13  -7.161   1.288  11.497
  100    HD2  ARG  13           2HD      ARG  13  -7.268   2.191  13.798
  101    HD3  ARG  13           1HD      ARG  13  -6.456   0.637  13.700
  102    HE   ARG  13           HE       ARG  13  -4.349   1.852  13.814
  103   HH11  ARG  13          1HH1      ARG  13  -7.199   3.663  14.891
  104   HH12  ARG  13          2HH1      ARG  13  -6.348   4.506  16.106
  105   HH21  ARG  13          1HH2      ARG  13  -3.209   3.031  15.445
  106   HH22  ARG  13          2HH2      ARG  13  -4.035   4.165  16.418
  107    H    GLU  14           H        GLU  14  -4.228  -1.239   9.383
  108    HA   GLU  14           HA       GLU  14  -1.414  -0.840   9.213
  109    HB2  GLU  14           2HB      GLU  14  -3.232  -3.043   8.274
  110    HB3  GLU  14           1HB      GLU  14  -1.489  -3.107   8.091
  111    HG2  GLU  14           2HG      GLU  14  -2.883  -2.776  10.738
  112    HG3  GLU  14           1HG      GLU  14  -2.423  -4.340  10.063
  113    H    LEU  15           H        LEU  15  -4.034  -0.806   6.873
  114    HA   LEU  15           HA       LEU  15  -2.472  -0.875   4.578
  115    HB2  LEU  15           2HB      LEU  15  -5.115   0.558   5.041
  116    HB3  LEU  15           1HB      LEU  15  -4.352   0.542   3.477
  117    HG   LEU  15           HG       LEU  15  -5.099  -2.052   4.796
  118   HD11  LEU  15          1HD1      LEU  15  -7.076  -0.576   4.900
  119   HD12  LEU  15          2HD1      LEU  15  -7.286  -1.853   3.710
  120   HD13  LEU  15          3HD1      LEU  15  -6.894  -0.214   3.180
  121   HD21  LEU  15          3HD2      LEU  15  -3.770  -1.840   2.600
  122   HD22  LEU  15          1HD2      LEU  15  -5.261  -1.208   1.928
  123   HD23  LEU  15          2HD2      LEU  15  -5.219  -2.849   2.604
  124    H    VAL  16           H        VAL  16  -3.701   1.666   6.628
  125    HA   VAL  16           HA       VAL  16  -2.759   3.957   5.207
  126    HB   VAL  16           HB       VAL  16  -3.390   3.737   8.170
  127   HG11  VAL  16          1HG1      VAL  16  -2.236   5.802   7.586
  128   HG12  VAL  16          2HG1      VAL  16  -3.916   6.117   8.031
  129   HG13  VAL  16          3HG1      VAL  16  -3.439   6.120   6.335
  130   HG21  VAL  16          3HG2      VAL  16  -5.242   4.364   5.877
  131   HG22  VAL  16          1HG2      VAL  16  -5.653   4.479   7.588
  132   HG23  VAL  16          2HG2      VAL  16  -5.266   2.911   6.878
  133    H    ARG  17           H        ARG  17  -1.441   2.077   7.846
  134    HA   ARG  17           HA       ARG  17   0.804   3.594   8.379
  135    HB2  ARG  17           2HB      ARG  17   0.156   0.730   8.678
  136    HB3  ARG  17           1HB      ARG  17   1.808   1.208   8.963
  137    HG2  ARG  17           2HG      ARG  17   0.955   2.849  10.641
  138    HG3  ARG  17           1HG      ARG  17  -0.657   2.162  10.395
  139    HD2  ARG  17           2HD      ARG  17   0.090   0.009  11.106
  140    HD3  ARG  17           1HD      ARG  17   1.759   0.563  11.167
  141    HE   ARG  17           HE       ARG  17   0.493   2.206  12.869
  142   HH11  ARG  17          1HH1      ARG  17   0.376  -1.316  12.585
  143   HH12  ARG  17          2HH1      ARG  17   0.455  -1.600  14.260
  144   HH21  ARG  17          1HH2      ARG  17   0.556   1.844  15.138
  145   HH22  ARG  17          2HH2      ARG  17   0.586   0.264  15.769
  146    H    ALA  18           H        ALA  18   0.447   1.052   6.022
  147    HA   ALA  18           HA       ALA  18   3.137   1.255   5.117
  148    HB1  ALA  18           1HB      ALA  18   1.809  -0.755   4.697
  149    HB2  ALA  18           2HB      ALA  18   2.450  -0.075   3.199
  150    HB3  ALA  18           3HB      ALA  18   0.759   0.172   3.629
  151    H    GLN  19           H        GLN  19   0.089   2.633   4.011
  152    HA   GLN  19           HA       GLN  19   0.832   3.933   1.704
  153    HB2  GLN  19           2HB      GLN  19  -1.057   4.561   3.900
  154    HB3  GLN  19           1HB      GLN  19  -0.969   5.673   2.573
  155    HG2  GLN  19           2HG      GLN  19  -1.498   3.800   1.070
  156    HG3  GLN  19           1HG      GLN  19  -1.656   2.739   2.481
  157   HE21  GLN  19          1HE2      GLN  19  -3.584   3.330   0.478
  158   HE22  GLN  19          2HE2      GLN  19  -4.924   4.083   1.272
  159    H    ILE  20           H        ILE  20   0.748   5.291   4.956
  160    HA   ILE  20           HA       ILE  20   1.976   7.744   4.467
  161    HB   ILE  20           HB       ILE  20   1.992   6.104   7.020
  162   HG12  ILE  20          2HG1      ILE  20   0.219   8.399   6.149
  163   HG13  ILE  20          1HG1      ILE  20  -0.241   6.701   6.157
  164   HG21  ILE  20          1HG2      ILE  20   3.780   7.770   7.098
  165   HG22  ILE  20          2HG2      ILE  20   2.477   8.204   8.204
  166   HG23  ILE  20          3HG2      ILE  20   2.632   9.036   6.658
  167   HD11  ILE  20          3HD1      ILE  20  -1.144   7.881   8.076
  168   HD12  ILE  20          1HD1      ILE  20   0.485   8.342   8.572
  169   HD13  ILE  20          2HD1      ILE  20   0.010   6.643   8.574
  170    H    ALA  21           H        ALA  21   3.404   4.645   5.331
  171    HA   ALA  21           HA       ALA  21   6.047   5.577   5.636
  172    HB1  ALA  21           1HB      ALA  21   5.109   2.784   5.005
  173    HB2  ALA  21           2HB      ALA  21   5.252   3.477   6.620
  174    HB3  ALA  21           3HB      ALA  21   6.694   3.237   5.632
  175    H    ILE  22           H        ILE  22   4.206   4.929   2.827
  176    HA   ILE  22           HA       ILE  22   6.507   4.530   1.088
  177    HB   ILE  22           HB       ILE  22   3.649   5.182   0.305
  178   HG12  ILE  22          2HG1      ILE  22   4.979   2.485   0.306
  179   HG13  ILE  22          1HG1      ILE  22   3.943   3.047   1.616
  180   HG21  ILE  22          1HG2      ILE  22   4.308   4.274  -1.881
  181   HG22  ILE  22          2HG2      ILE  22   5.950   4.033  -1.285
  182   HG23  ILE  22          3HG2      ILE  22   5.296   5.665  -1.434
  183   HD11  ILE  22          3HD1      ILE  22   2.725   1.612   0.105
  184   HD12  ILE  22          1HD1      ILE  22   3.143   2.653  -1.255
  185   HD13  ILE  22          2HD1      ILE  22   2.096   3.258   0.027
  186    H    CYS  23           H        CYS  23   4.023   7.028   1.472
  187    HA   CYS  23           HA       CYS  23   5.458   8.773  -0.270
  188    HB2  CYS  23           2HB      CYS  23   2.989   8.997   1.329
  189    HB3  CYS  23           1HB      CYS  23   3.763  10.463   0.738
  190    H    GLY  24           H        GLY  24   5.463   8.261   3.050
  191    HA2  GLY  24           2HA      GLY  24   6.782  10.588   3.925
  192    HA3  GLY  24           1HA      GLY  24   6.903   9.006   4.684
  193    H    MET  25           H        MET  25   7.900   7.855   2.091
  194    HA   MET  25           HA       MET  25  10.424   9.158   1.734
  195    HB2  MET  25           2HB      MET  25  11.739   7.072   2.089
  196    HB3  MET  25           1HB      MET  25  11.031   7.709   3.570
  197    HG2  MET  25           2HG      MET  25   9.293   5.993   3.449
  198    HG3  MET  25           1HG      MET  25  10.005   5.380   1.960
  199    HE1  MET  25           3HE      MET  25  13.476   4.033   3.229
  200    HE2  MET  25           1HE      MET  25  13.166   5.664   2.638
  201    HE3  MET  25           2HE      MET  25  12.435   4.281   1.829
  202    H    SER  26           H        SER  26   9.038   9.467  -0.185
  203    HA   SER  26           HA       SER  26   8.746   7.167  -1.857
  204    HB2  SER  26           2HB      SER  26   7.752   8.933  -3.441
  205    HB3  SER  26           1HB      SER  26   6.894   8.552  -1.945
  206    HG   SER  26           HG       SER  26   8.780  10.640  -1.990
  207    H    THR  27           H        THR  27  11.032   6.908  -1.721
  208    HA   THR  27           HA       THR  27  12.327   7.967  -4.046
  209    HB   THR  27           HB       THR  27  14.445   7.906  -2.488
  210    HG1  THR  27           1HG      THR  27  12.932   8.941  -0.488
  211   HG21  THR  27          3HG2      THR  27  14.177  10.314  -1.969
  212   HG22  THR  27          1HG2      THR  27  12.462  10.191  -2.355
  213   HG23  THR  27          2HG2      THR  27  13.671   9.947  -3.617
  214    H    TRP  28           H        TRP  28  13.516   6.440  -4.943
  215    HA   TRP  28           HA       TRP  28  12.933   3.731  -4.170
  216    HB2  TRP  28           2HB      TRP  28  12.961   4.446  -6.575
  217    HB3  TRP  28           1HB      TRP  28  14.705   4.626  -6.455
  218    HD1  TRP  28           HD       TRP  28  11.984   1.907  -6.464
  219    HE1  TRP  28           1HE      TRP  28  13.056  -0.322  -7.131
  220    HE3  TRP  28           3HE      TRP  28  16.881   3.369  -6.609
  221    HZ2  TRP  28           2HZ      TRP  28  15.627  -1.337  -7.677
  222    HZ3  TRP  28           3HZ      TRP  28  18.587   1.704  -7.223
  223    HH2  TRP  28           HH       TRP  28  17.971  -0.600  -7.745
  224    H    SER  29           H        SER  29  15.202   5.771  -3.514
  225    HA   SER  29           HA       SER  29  16.943   3.697  -2.386
  226    HB2  SER  29           2HB      SER  29  18.103   4.974  -4.164
  227    HB3  SER  29           1HB      SER  29  17.748   6.474  -3.318
  228    HG   SER  29           HG       SER  29  19.634   4.518  -2.796
  229    HN1  NH2  30           HT1      SER  29  15.604   3.672  -0.569
  230    HN2  NH2  30           HT2      SER  29  15.545   4.969   0.577
  231    HA   PCA   1           HA       PCA   1 -12.997   3.640  -7.412
  232    HB2  PCA   1           2HB      PCA   1 -13.656   0.917  -7.835
  233    HB3  PCA   1           1HB      PCA   1 -14.788   2.297  -7.909
  234    HG2  PCA   1           2HG      PCA   1 -13.797   0.664 -10.092
  235    HG3  PCA   1           1HG      PCA   1 -14.948   2.043 -10.173
  236    H    LEU   2           H        LEU   2 -10.422   3.332  -8.423
  237    HA   LEU   2           HA       LEU   2  -9.205   0.839  -7.525
  238    HB2  LEU   2           2HB      LEU   2  -8.308   2.180  -9.427
  239    HB3  LEU   2           1HB      LEU   2  -7.869   3.428  -8.287
  240    HG   LEU   2           HG       LEU   2  -6.310   1.830  -7.191
  241   HD11  LEU   2          1HD1      LEU   2  -5.726  -0.243  -8.361
  242   HD12  LEU   2          2HD1      LEU   2  -7.075   0.012  -9.470
  243   HD13  LEU   2          3HD1      LEU   2  -7.379  -0.261  -7.755
  244   HD21  LEU   2          3HD2      LEU   2  -5.889   2.220 -10.155
  245   HD22  LEU   2          1HD2      LEU   2  -4.631   1.841  -8.979
  246   HD23  LEU   2          2HD2      LEU   2  -5.490   3.378  -8.886
  247    H    TYR   3           H        TYR   3  -9.848   3.799  -5.896
  248    HA   TYR   3           HA       TYR   3  -7.983   2.916  -3.931
  249    HB2  TYR   3           2HB      TYR   3  -8.459   5.369  -4.210
  250    HB3  TYR   3           1HB      TYR   3 -10.052   5.084  -3.486
  251    HD1  TYR   3           1HD      TYR   3  -6.598   4.013  -2.864
  252    HD2  TYR   3           2HD      TYR   3 -10.155   5.606  -1.228
  253    HE1  TYR   3           1HE      TYR   3  -5.575   3.943  -0.756
  254    HE2  TYR   3           2HE      TYR   3  -9.137   5.586   1.003
  255    HH   TYR   3           HH       TYR   3  -7.344   4.278   2.124
  256    H    SER   4           H        SER   4 -11.441   2.781  -4.371
  257    HA   SER   4           HA       SER   4 -12.055   1.613  -1.912
  258    HB2  SER   4           2HB      SER   4 -13.425   1.242  -4.584
  259    HB3  SER   4           1HB      SER   4 -14.136   0.909  -3.002
  260    HG   SER   4           HG       SER   4 -14.697   2.949  -3.882
  261    H    ALA   5           H        ALA   5 -11.227   0.243  -5.063
  262    HA   ALA   5           HA       ALA   5 -11.436  -2.461  -4.356
  263    HB1  ALA   5           1HB      ALA   5 -10.239  -2.921  -6.406
  264    HB2  ALA   5           2HB      ALA   5  -9.722  -1.237  -6.505
  265    HB3  ALA   5           3HB      ALA   5 -11.431  -1.646  -6.666
  266    H    LEU   6           H        LEU   6  -8.657  -0.258  -4.367
  267    HA   LEU   6           HA       LEU   6  -6.563  -1.925  -3.858
  268    HB2  LEU   6           2HB      LEU   6  -6.225   0.418  -4.209
  269    HB3  LEU   6           1HB      LEU   6  -7.132   0.826  -2.773
  270    HG   LEU   6           HG       LEU   6  -5.318  -0.184  -1.394
  271   HD11  LEU   6          1HD1      LEU   6  -3.883  -0.367  -4.019
  272   HD12  LEU   6          2HD1      LEU   6  -4.401  -1.714  -3.008
  273   HD13  LEU   6          3HD1      LEU   6  -3.155  -0.609  -2.434
  274   HD21  LEU   6          3HD2      LEU   6  -5.422   2.206  -1.818
  275   HD22  LEU   6          1HD2      LEU   6  -4.449   2.000  -3.272
  276   HD23  LEU   6          2HD2      LEU   6  -3.753   1.651  -1.686
  277    H    ALA   7           H        ALA   7  -8.520  -0.353  -1.350
  278    HA   ALA   7           HA       ALA   7  -7.239  -1.463   0.856
  279    HB1  ALA   7           1HB      ALA   7  -9.223  -0.874   2.136
  280    HB2  ALA   7           2HB      ALA   7 -10.135  -0.677   0.640
  281    HB3  ALA   7           3HB      ALA   7  -8.794   0.412   1.007
  282    H    ASN   8           H        ASN   8 -10.007  -2.630  -0.954
  283    HA   ASN   8           HA       ASN   8 -10.435  -4.882   0.743
  284    HB2  ASN   8           2HB      ASN   8 -11.480  -4.248  -2.024
  285    HB3  ASN   8           1HB      ASN   8 -11.973  -5.653  -1.085
  286   HD21  ASN   8          1HD2      ASN   8 -13.576  -3.350  -2.047
  287   HD22  ASN   8          2HD2      ASN   8 -14.277  -2.690  -0.622
  288    H    LYS   9           H        LYS   9  -8.661  -4.314  -2.184
  289    HA   LYS   9           HA       LYS   9  -8.231  -7.038  -2.902
  290    HB2  LYS   9           2HB      LYS   9  -7.974  -4.915  -4.397
  291    HB3  LYS   9           1HB      LYS   9  -6.478  -4.688  -3.552
  292    HG2  LYS   9           2HG      LYS   9  -5.600  -6.786  -4.376
  293    HG3  LYS   9           1HG      LYS   9  -7.116  -7.095  -5.228
  294    HD2  LYS   9           2HD      LYS   9  -6.803  -5.030  -6.516
  295    HD3  LYS   9           1HD      LYS   9  -5.271  -4.755  -5.692
  296    HE2  LYS   9           2HE      LYS   9  -4.864  -5.714  -7.861
  297    HE3  LYS   9           1HE      LYS   9  -4.427  -6.879  -6.615
  298    HZ1  LYS   9           3HZ      LYS   9  -6.953  -6.896  -8.190
  299    HZ2  LYS   9           1HZ      LYS   9  -6.535  -8.018  -7.003
  300    HZ3  LYS   9           2HZ      LYS   9  -5.648  -7.927  -8.412
  301    H    CYS  10           H        CYS  10  -6.135  -4.632  -1.367
  302    HA   CYS  10           HA       CYS  10  -4.138  -6.513  -0.799
  303    HB2  CYS  10           2HB      CYS  10  -4.687  -3.728   0.161
  304    HB3  CYS  10           1HB      CYS  10  -3.438  -4.724   0.909
  305    H    CYS  11           H        CYS  11  -7.119  -5.779   0.772
  306    HA   CYS  11           HA       CYS  11  -6.320  -6.837   3.314
  307    HB2  CYS  11           2HB      CYS  11  -8.174  -5.103   2.937
  308    HB3  CYS  11           1HB      CYS  11  -9.148  -6.436   2.351
  309    H    HIS  12           H        HIS  12  -7.941  -8.039   0.423
  310    HA   HIS  12           HA       HIS  12  -8.494 -10.552   1.752
  311    HB2  HIS  12           2HB      HIS  12  -9.198  -9.441  -0.927
  312    HB3  HIS  12           1HB      HIS  12  -9.408 -11.151  -0.608
  313    HD1  HIS  12           1HD      HIS  12 -11.579 -11.788   0.648
  314    HD2  HIS  12           2HD      HIS  12 -10.757  -7.711   0.724
  315    HE1  HIS  12           1HE      HIS  12 -13.604 -10.688   1.644
  316    H    VAL  13           H        VAL  13  -6.699  -9.548  -1.111
  317    HA   VAL  13           HA       VAL  13  -5.298 -12.104  -0.902
  318    HB   VAL  13           HB       VAL  13  -4.689 -11.796  -3.301
  319   HG11  VAL  13          1HG1      VAL  13  -7.641 -11.964  -2.630
  320   HG12  VAL  13          2HG1      VAL  13  -6.500 -13.307  -2.601
  321   HG13  VAL  13          3HG1      VAL  13  -6.922 -12.540  -4.135
  322   HG21  VAL  13          3HG2      VAL  13  -5.106  -9.418  -3.579
  323   HG22  VAL  13          1HG2      VAL  13  -6.821  -9.654  -3.240
  324   HG23  VAL  13          2HG2      VAL  13  -6.107 -10.335  -4.703
  325    H    GLY  14           H        GLY  14  -4.766  -8.786  -1.728
  326    HA2  GLY  14           2HA      GLY  14  -2.798  -7.759  -0.468
  327    HA3  GLY  14           1HA      GLY  14  -1.889  -9.088  -1.080
  328    H    CYS  15           H        CYS  15  -1.517  -6.249  -1.642
  329    HA   CYS  15           HA       CYS  15  -1.351  -6.511  -4.417
  330    HB2  CYS  15           2HB      CYS  15  -2.607  -4.357  -4.989
  331    HB3  CYS  15           1HB      CYS  15  -3.546  -5.769  -4.543
  332    H    THR  16           H        THR  16  -0.392  -4.456  -5.485
  333    HA   THR  16           HA       THR  16   2.062  -4.396  -4.255
  334    HB   THR  16           HB       THR  16   2.694  -2.777  -6.061
  335    HG1  THR  16           1HG      THR  16   0.239  -3.445  -7.263
  336   HG21  THR  16          3HG2      THR  16   2.594  -4.492  -7.822
  337   HG22  THR  16          1HG2      THR  16   1.424  -5.401  -6.864
  338   HG23  THR  16          2HG2      THR  16   3.069  -5.179  -6.270
  339    H    LYS  17           H        LYS  17   3.238  -3.008  -3.480
  340    HA   LYS  17           HA       LYS  17   2.267  -1.023  -1.654
  341    HB2  LYS  17           2HB      LYS  17   4.394  -2.386  -1.667
  342    HB3  LYS  17           1HB      LYS  17   5.062  -1.277  -2.827
  343    HG2  LYS  17           2HG      LYS  17   5.910  -0.742  -0.785
  344    HG3  LYS  17           1HG      LYS  17   4.681   0.517  -1.066
  345    HD2  LYS  17           2HD      LYS  17   3.160  -0.653   0.426
  346    HD3  LYS  17           1HD      LYS  17   4.290  -2.003   0.563
  347    HE2  LYS  17           2HE      LYS  17   4.714   0.814   1.554
  348    HE3  LYS  17           1HE      LYS  17   4.450  -0.625   2.533
  349    HZ1  LYS  17           3HZ      LYS  17   6.813  -0.122   0.798
  350    HZ2  LYS  17           1HZ      LYS  17   6.543  -1.538   1.639
  351    HZ3  LYS  17           2HZ      LYS  17   6.799  -0.093   2.465
  352    H    ARG  18           H        ARG  18   3.430  -1.000  -4.923
  353    HA   ARG  18           HA       ARG  18   3.536   1.788  -5.340
  354    HB2  ARG  18           2HB      ARG  18   3.073  -0.494  -7.250
  355    HB3  ARG  18           1HB      ARG  18   3.302   1.176  -7.743
  356    HG2  ARG  18           2HG      ARG  18   5.314  -0.457  -6.206
  357    HG3  ARG  18           1HG      ARG  18   5.348  -0.184  -7.948
  358    HD2  ARG  18           2HD      ARG  18   5.538   1.939  -5.804
  359    HD3  ARG  18           1HD      ARG  18   6.854   1.346  -6.811
  360    HE   ARG  18           HE       ARG  18   4.967   2.160  -8.583
  361   HH11  ARG  18          1HH1      ARG  18   6.774   3.820  -5.976
  362   HH12  ARG  18          2HH1      ARG  18   6.652   5.331  -6.696
  363   HH21  ARG  18          1HH2      ARG  18   4.844   4.236  -9.548
  364   HH22  ARG  18          2HH2      ARG  18   5.514   5.603  -8.785
  365    H    SER  19           H        SER  19   0.928  -0.487  -5.221
  366    HA   SER  19           HA       SER  19  -0.925   1.125  -6.622
  367    HB2  SER  19           2HB      SER  19  -1.064  -1.293  -6.579
  368    HB3  SER  19           1HB      SER  19  -1.318  -1.338  -4.861
  369    HG   SER  19           HG       SER  19  -3.204   0.192  -5.531
  370    H    LEU  20           H        LEU  20  -0.028   0.590  -3.285
  371    HA   LEU  20           HA       LEU  20  -1.984   2.633  -2.350
  372    HB2  LEU  20           2HB      LEU  20   0.327   1.819  -0.524
  373    HB3  LEU  20           1HB      LEU  20  -1.216   2.467  -0.207
  374    HG   LEU  20           HG       LEU  20  -2.312   0.365  -0.848
  375   HD11  LEU  20          1HD1      LEU  20  -0.563  -0.703  -2.111
  376   HD12  LEU  20          2HD1      LEU  20  -1.031  -1.698  -0.733
  377   HD13  LEU  20          3HD1      LEU  20   0.458  -0.754  -0.673
  378   HD21  LEU  20          3HD2      LEU  20  -0.430   0.327   1.485
  379   HD22  LEU  20          1HD2      LEU  20  -1.823  -0.738   1.288
  380   HD23  LEU  20          2HD2      LEU  20  -2.068   1.000   1.452
  381    H    ALA  21           H        ALA  21   1.223   2.512  -3.274
  382    HA   ALA  21           HA       ALA  21   2.194   4.988  -2.393
  383    HB1  ALA  21           1HB      ALA  21   3.834   4.905  -4.158
  384    HB2  ALA  21           2HB      ALA  21   2.835   3.787  -5.073
  385    HB3  ALA  21           3HB      ALA  21   3.567   3.264  -3.558
  386    H    ARG  22           H        ARG  22   0.305   4.296  -5.241
  387    HA   ARG  22           HA       ARG  22   0.402   6.991  -6.218
  388    HB2  ARG  22           2HB      ARG  22  -1.161   6.215  -7.950
  389    HB3  ARG  22           1HB      ARG  22   0.223   5.149  -7.783
  390    HG2  ARG  22           2HG      ARG  22  -1.222   3.673  -6.352
  391    HG3  ARG  22           1HG      ARG  22  -2.586   4.682  -6.830
  392    HD2  ARG  22           2HD      ARG  22  -2.460   2.710  -8.229
  393    HD3  ARG  22           1HD      ARG  22  -2.127   4.151  -9.187
  394    HE   ARG  22           HE       ARG  22   0.298   3.556  -8.816
  395   HH11  ARG  22          1HH1      ARG  22  -2.204   1.042  -8.932
  396   HH12  ARG  22          2HH1      ARG  22  -1.162  -0.158  -9.512
  397   HH21  ARG  22          1HH2      ARG  22   1.729   1.893  -9.602
  398   HH22  ARG  22          2HH2      ARG  22   1.119   0.324  -9.898
  399    H    PHE  23           H        PHE  23  -1.004   6.020  -3.572
  400    HA   PHE  23           HA       PHE  23  -3.140   7.996  -3.815
  401    HB2  PHE  23           2HB      PHE  23  -3.366   5.332  -2.412
  402    HB3  PHE  23           1HB      PHE  23  -4.488   6.660  -2.157
  403    HD1  PHE  23           2HD      PHE  23  -5.812   7.504  -4.119
  404    HD2  PHE  23           1HD      PHE  23  -3.615   3.872  -4.211
  405    HE1  PHE  23           2HE      PHE  23  -7.146   6.752  -6.041
  406    HE2  PHE  23           1HE      PHE  23  -4.940   3.111  -6.128
  407    HZ   PHE  23           HZ       PHE  23  -6.712   4.553  -7.045
  408    H    CYS  24           H        CYS  24  -1.608   6.048  -1.392
  409    HA   CYS  24           HA       CYS  24  -0.732   6.463   0.644
  410    HB2  CYS  24           2HB      CYS  24  -0.123   9.180  -0.518
  411    HB3  CYS  24           1HB      CYS  24   0.470   8.630   1.045
  412    HN1  NH2  25           HT1      CYS  24  -2.177   9.652   0.108
  413    HN2  NH2  25           HT2      CYS  24  -3.182   9.604   1.509
  Start of MODEL   13
    1    H1   ASP   1           1HT      ASP   1  11.903   4.853  -7.277
    2    H2   ASP   1           2HT      ASP   1  12.888   3.565  -7.604
    3    H3   ASP   1           3HT      ASP   1  12.089   3.633  -6.138
    4    HA   ASP   1           HA       ASP   1   9.932   3.450  -7.311
    5    HB2  ASP   1           2HB      ASP   1  11.727   3.041  -9.718
    6    HB3  ASP   1           1HB      ASP   1  10.014   2.721  -9.715
    7    H    SER   2           H        SER   2  12.940   1.646  -7.414
    8    HA   SER   2           HA       SER   2  11.875  -0.828  -8.100
    9    HB2  SER   2           2HB      SER   2  14.323  -0.260  -6.435
   10    HB3  SER   2           1HB      SER   2  13.983  -1.776  -7.266
   11    HG   SER   2           HG       SER   2  15.260   0.228  -8.220
   12    H    TRP   3           H        TRP   3  11.759   0.746  -5.292
   13    HA   TRP   3           HA       TRP   3  11.188  -1.478  -3.553
   14    HB2  TRP   3           2HB      TRP   3  10.421   0.316  -1.896
   15    HB3  TRP   3           1HB      TRP   3  12.103   0.363  -2.401
   16    HD1  TRP   3           HD       TRP   3  12.954   2.554  -3.495
   17    HE1  TRP   3           1HE      TRP   3  11.892   4.816  -4.103
   18    HE3  TRP   3           3HE      TRP   3   8.036   1.393  -2.712
   19    HZ2  TRP   3           2HZ      TRP   3   9.321   5.944  -4.240
   20    HZ3  TRP   3           3HZ      TRP   3   6.368   3.076  -3.137
   21    HH2  TRP   3           HH       TRP   3   6.976   5.340  -3.865
   22    H    MET   4           H        MET   4   9.343   0.147  -5.859
   23    HA   MET   4           HA       MET   4   6.806  -0.030  -4.542
   24    HB2  MET   4           2HB      MET   4   7.395   0.328  -7.475
   25    HB3  MET   4           1HB      MET   4   5.822   0.392  -6.689
   26    HG2  MET   4           2HG      MET   4   6.580   2.328  -5.383
   27    HG3  MET   4           1HG      MET   4   8.103   2.294  -6.267
   28    HE1  MET   4           3HE      MET   4   7.013   1.473  -9.222
   29    HE2  MET   4           1HE      MET   4   8.267   2.665  -8.877
   30    HE3  MET   4           2HE      MET   4   6.913   3.091  -9.920
   31    H    GLU   5           H        GLU   5   8.760  -2.147  -6.414
   32    HA   GLU   5           HA       GLU   5   6.528  -3.870  -6.901
   33    HB2  GLU   5           2HB      GLU   5   9.431  -4.131  -7.674
   34    HB3  GLU   5           1HB      GLU   5   8.224  -5.376  -7.994
   35    HG2  GLU   5           2HG      GLU   5   6.921  -3.785  -9.305
   36    HG3  GLU   5           1HG      GLU   5   8.113  -2.539  -8.974
   37    H    GLU   6           H        GLU   6   5.981  -4.055  -4.886
   38    HA   GLU   6           HA       GLU   6   7.175  -6.249  -3.408
   39    HB2  GLU   6           2HB      GLU   6   7.836  -3.844  -2.472
   40    HB3  GLU   6           1HB      GLU   6   6.122  -3.774  -2.159
   41    HG2  GLU   6           2HG      GLU   6   6.171  -5.594  -0.643
   42    HG3  GLU   6           1HG      GLU   6   7.886  -5.856  -0.939
   43    H    VAL   7           H        VAL   7   5.463  -7.039  -2.050
   44    HA   VAL   7           HA       VAL   7   2.796  -6.088  -2.476
   45    HB   VAL   7           HB       VAL   7   2.974  -7.424  -4.492
   46   HG11  VAL   7          1HG1      VAL   7   4.836  -8.842  -3.948
   47   HG12  VAL   7          2HG1      VAL   7   3.473  -9.833  -4.475
   48   HG13  VAL   7          3HG1      VAL   7   3.865  -9.707  -2.758
   49   HG21  VAL   7          3HG2      VAL   7   1.186  -9.097  -4.160
   50   HG22  VAL   7          1HG2      VAL   7   0.818  -7.561  -3.374
   51   HG23  VAL   7          2HG2      VAL   7   1.376  -8.927  -2.414
   52    H    ILE   8           H        ILE   8   1.751  -6.246  -0.662
   53    HA   ILE   8           HA       ILE   8   2.313  -8.442   1.167
   54    HB   ILE   8           HB       ILE   8   2.327  -6.898   3.121
   55   HG12  ILE   8          2HG1      ILE   8   2.535  -4.756   1.016
   56   HG13  ILE   8          1HG1      ILE   8   1.185  -5.010   2.095
   57   HG21  ILE   8          1HG2      ILE   8   4.443  -7.739   2.321
   58   HG22  ILE   8          2HG2      ILE   8   4.635  -6.080   2.889
   59   HG23  ILE   8          3HG2      ILE   8   4.562  -6.416   1.160
   60   HD11  ILE   8          3HD1      ILE   8   3.955  -4.166   2.943
   61   HD12  ILE   8          1HD1      ILE   8   2.584  -4.433   4.022
   62   HD13  ILE   8          2HD1      ILE   8   2.536  -3.122   2.844
   63    H    LYS   9           H        LYS   9   0.738  -8.232   3.032
   64    HA   LYS   9           HA       LYS   9  -1.896  -7.463   1.982
   65    HB2  LYS   9           2HB      LYS   9  -1.590  -9.936   2.119
   66    HB3  LYS   9           1HB      LYS   9  -1.284  -9.771   3.844
   67    HG2  LYS   9           2HG      LYS   9  -3.549  -8.904   4.166
   68    HG3  LYS   9           1HG      LYS   9  -3.854  -9.049   2.438
   69    HD2  LYS   9           2HD      LYS   9  -4.840 -10.933   3.557
   70    HD3  LYS   9           1HD      LYS   9  -3.447 -11.491   2.633
   71    HE2  LYS   9           2HE      LYS   9  -3.522 -12.532   4.822
   72    HE3  LYS   9           1HE      LYS   9  -2.094 -11.512   4.671
   73    HZ1  LYS   9           3HZ      LYS   9  -3.222 -11.264   6.825
   74    HZ2  LYS   9           1HZ      LYS   9  -4.614 -10.752   6.062
   75    HZ3  LYS   9           2HZ      LYS   9  -3.231  -9.805   6.001
   76    H    LEU  10           H        LEU  10  -3.231  -6.355   3.374
   77    HA   LEU  10           HA       LEU  10  -2.697  -5.902   6.105
   78    HB2  LEU  10           2HB      LEU  10  -2.344  -3.482   5.885
   79    HB3  LEU  10           1HB      LEU  10  -0.885  -4.230   5.520
   80    HG   LEU  10           HG       LEU  10  -2.797  -2.791   3.924
   81   HD11  LEU  10          1HD1      LEU  10  -0.728  -1.522   3.283
   82   HD12  LEU  10          2HD1      LEU  10   0.239  -2.773   4.042
   83   HD13  LEU  10          3HD1      LEU  10  -0.766  -1.739   5.042
   84   HD21  LEU  10          3HD2      LEU  10  -1.624  -3.293   1.785
   85   HD22  LEU  10          1HD2      LEU  10  -2.368  -4.722   2.508
   86   HD23  LEU  10          2HD2      LEU  10  -0.630  -4.471   2.655
   87    H    CYS  11           H        CYS  11  -4.045  -4.009   6.783
   88    HA   CYS  11           HA       CYS  11  -6.491  -3.538   5.329
   89    HB2  CYS  11           2HB      CYS  11  -6.627  -5.191   7.840
   90    HB3  CYS  11           1HB      CYS  11  -8.001  -4.641   6.914
   91    H    GLY  12           H        GLY  12  -7.901  -2.134   6.645
   92    HA2  GLY  12           2HA      GLY  12  -8.262  -0.287   8.005
   93    HA3  GLY  12           1HA      GLY  12  -7.605  -1.328   9.243
   94    H    ARG  13           H        ARG  13  -6.344  -0.163  10.392
   95    HA   ARG  13           HA       ARG  13  -4.915   2.082   9.494
   96    HB2  ARG  13           2HB      ARG  13  -5.531   1.981  11.803
   97    HB3  ARG  13           1HB      ARG  13  -4.685   0.469  12.044
   98    HG2  ARG  13           2HG      ARG  13  -3.459   2.265  13.067
   99    HG3  ARG  13           1HG      ARG  13  -2.549   1.642  11.698
  100    HD2  ARG  13           2HD      ARG  13  -3.373   3.514  10.329
  101    HD3  ARG  13           1HD      ARG  13  -4.224   4.150  11.737
  102    HE   ARG  13           HE       ARG  13  -1.493   3.703  12.303
  103   HH11  ARG  13          1HH1      ARG  13  -3.632   6.058  10.713
  104   HH12  ARG  13          2HH1      ARG  13  -2.524   7.338  10.872
  105   HH21  ARG  13          1HH2      ARG  13  -0.046   5.440  12.536
  106   HH22  ARG  13          2HH2      ARG  13  -0.440   6.999  11.946
  107    H    GLU  14           H        GLU  14  -4.082  -1.319   9.581
  108    HA   GLU  14           HA       GLU  14  -1.271  -1.048   9.259
  109    HB2  GLU  14           2HB      GLU  14  -3.202  -3.192   8.383
  110    HB3  GLU  14           1HB      GLU  14  -1.472  -3.317   8.140
  111    HG2  GLU  14           2HG      GLU  14  -2.867  -3.074  10.795
  112    HG3  GLU  14           1HG      GLU  14  -2.239  -4.564  10.093
  113    H    LEU  15           H        LEU  15  -3.985  -0.964   7.010
  114    HA   LEU  15           HA       LEU  15  -2.530  -1.086   4.658
  115    HB2  LEU  15           2HB      LEU  15  -5.095   0.405   5.279
  116    HB3  LEU  15           1HB      LEU  15  -4.410   0.438   3.679
  117    HG   LEU  15           HG       LEU  15  -5.113  -2.174   4.958
  118   HD11  LEU  15          1HD1      LEU  15  -6.945  -0.281   3.439
  119   HD12  LEU  15          2HD1      LEU  15  -7.100  -0.716   5.148
  120   HD13  LEU  15          3HD1      LEU  15  -7.338  -1.937   3.906
  121   HD21  LEU  15          3HD2      LEU  15  -5.261  -2.931   2.814
  122   HD22  LEU  15          1HD2      LEU  15  -3.838  -1.901   2.731
  123   HD23  LEU  15          2HD2      LEU  15  -5.383  -1.318   2.107
  124    H    VAL  16           H        VAL  16  -3.566   1.479   6.745
  125    HA   VAL  16           HA       VAL  16  -2.627   3.724   5.277
  126    HB   VAL  16           HB       VAL  16  -3.225   3.557   8.239
  127   HG11  VAL  16          1HG1      VAL  16  -2.103   5.608   7.596
  128   HG12  VAL  16          2HG1      VAL  16  -3.777   5.933   8.043
  129   HG13  VAL  16          3HG1      VAL  16  -3.308   5.896   6.345
  130   HG21  VAL  16          3HG2      VAL  16  -5.116   4.132   5.970
  131   HG22  VAL  16          1HG2      VAL  16  -5.504   4.232   7.687
  132   HG23  VAL  16          2HG2      VAL  16  -5.096   2.677   6.966
  133    H    ARG  17           H        ARG  17  -1.249   1.627   7.639
  134    HA   ARG  17           HA       ARG  17   0.949   3.186   8.335
  135    HB2  ARG  17           2HB      ARG  17   0.506   0.231   8.433
  136    HB3  ARG  17           1HB      ARG  17   2.008   0.919   8.996
  137    HG2  ARG  17           2HG      ARG  17   0.665   2.331  10.574
  138    HG3  ARG  17           1HG      ARG  17  -0.755   1.420  10.062
  139    HD2  ARG  17           2HD      ARG  17   0.131   0.496  12.110
  140    HD3  ARG  17           1HD      ARG  17   0.336  -0.652  10.789
  141    HE   ARG  17           HE       ARG  17   2.584   1.074  11.288
  142   HH11  ARG  17          1HH1      ARG  17   1.083  -2.076  11.941
  143   HH12  ARG  17          2HH1      ARG  17   2.531  -2.806  12.459
  144   HH21  ARG  17          1HH2      ARG  17   4.577   0.045  12.056
  145   HH22  ARG  17          2HH2      ARG  17   4.527  -1.599  12.520
  146    H    ALA  18           H        ALA  18   0.647   0.727   5.893
  147    HA   ALA  18           HA       ALA  18   3.313   1.166   4.938
  148    HB1  ALA  18           1HB      ALA  18   2.720  -0.253   3.051
  149    HB2  ALA  18           2HB      ALA  18   1.022  -0.176   3.520
  150    HB3  ALA  18           3HB      ALA  18   2.191  -0.975   4.571
  151    H    GLN  19           H        GLN  19   0.132   2.320   3.970
  152    HA   GLN  19           HA       GLN  19   0.811   3.623   1.596
  153    HB2  GLN  19           2HB      GLN  19  -1.323   3.957   3.640
  154    HB3  GLN  19           1HB      GLN  19  -1.209   5.109   2.321
  155    HG2  GLN  19           2HG      GLN  19  -1.617   3.456   0.716
  156    HG3  GLN  19           1HG      GLN  19  -1.281   2.153   1.864
  157   HE21  GLN  19          1HE2      GLN  19  -3.220   1.184   1.347
  158   HE22  GLN  19          2HE2      GLN  19  -4.732   1.806   1.906
  159    H    ILE  20           H        ILE  20   0.396   5.141   4.791
  160    HA   ILE  20           HA       ILE  20   1.465   7.588   3.920
  161    HB   ILE  20           HB       ILE  20   1.138   6.548   6.748
  162   HG12  ILE  20          2HG1      ILE  20  -0.500   8.451   5.061
  163   HG13  ILE  20          1HG1      ILE  20  -0.957   6.826   5.554
  164   HG21  ILE  20          1HG2      ILE  20   2.877   8.278   6.742
  165   HG22  ILE  20          2HG2      ILE  20   1.408   8.889   7.506
  166   HG23  ILE  20          3HG2      ILE  20   1.807   9.366   5.858
  167   HD11  ILE  20          3HD1      ILE  20  -1.040   7.565   7.884
  168   HD12  ILE  20          1HD1      ILE  20  -2.114   8.517   6.861
  169   HD13  ILE  20          2HD1      ILE  20  -0.566   9.186   7.382
  170    H    ALA  21           H        ALA  21   3.018   4.726   5.171
  171    HA   ALA  21           HA       ALA  21   5.533   5.877   5.717
  172    HB1  ALA  21           1HB      ALA  21   4.970   3.589   6.418
  173    HB2  ALA  21           2HB      ALA  21   6.457   3.622   5.468
  174    HB3  ALA  21           3HB      ALA  21   4.949   3.083   4.729
  175    H    ILE  22           H        ILE  22   4.070   4.657   2.762
  176    HA   ILE  22           HA       ILE  22   6.334   5.074   1.076
  177    HB   ILE  22           HB       ILE  22   3.381   4.896   0.407
  178   HG12  ILE  22          2HG1      ILE  22   4.361   2.843   1.389
  179   HG13  ILE  22          1HG1      ILE  22   3.855   2.615  -0.283
  180   HG21  ILE  22          1HG2      ILE  22   4.151   4.431  -1.911
  181   HG22  ILE  22          2HG2      ILE  22   5.779   4.896  -1.417
  182   HG23  ILE  22          3HG2      ILE  22   4.467   6.077  -1.365
  183   HD11  ILE  22          3HD1      ILE  22   6.112   2.866  -1.016
  184   HD12  ILE  22          1HD1      ILE  22   5.989   1.541   0.140
  185   HD13  ILE  22          2HD1      ILE  22   6.678   3.089   0.648
  186    H    CYS  23           H        CYS  23   3.675   7.035   2.150
  187    HA   CYS  23           HA       CYS  23   4.018   9.184   0.286
  188    HB2  CYS  23           2HB      CYS  23   2.826   9.117   3.021
  189    HB3  CYS  23           1HB      CYS  23   2.639  10.424   1.884
  190    H    GLY  24           H        GLY  24   5.342   8.358   3.273
  191    HA2  GLY  24           2HA      GLY  24   7.093  10.733   3.217
  192    HA3  GLY  24           1HA      GLY  24   6.430  10.117   4.726
  193    H    MET  25           H        MET  25   7.992   8.614   1.942
  194    HA   MET  25           HA       MET  25   9.939   7.466   3.819
  195    HB2  MET  25           2HB      MET  25  10.360   5.644   2.118
  196    HB3  MET  25           1HB      MET  25   8.766   5.627   2.830
  197    HG2  MET  25           2HG      MET  25   8.507   5.097   0.543
  198    HG3  MET  25           1HG      MET  25   7.912   6.736   0.748
  199    HE1  MET  25           3HE      MET  25  11.646   5.444   0.451
  200    HE2  MET  25           1HE      MET  25  11.894   5.587  -1.288
  201    HE3  MET  25           2HE      MET  25  10.730   4.422  -0.659
  202    H    SER  26           H        SER  26  10.048  10.022   2.739
  203    HA   SER  26           HA       SER  26  11.663  10.241   0.447
  204    HB2  SER  26           2HB      SER  26  11.160  12.302   2.575
  205    HB3  SER  26           1HB      SER  26  11.604  12.588   0.890
  206    HG   SER  26           HG       SER  26   9.543  11.088   0.690
  207    H    THR  27           H        THR  27  12.694   8.864   2.993
  208    HA   THR  27           HA       THR  27  15.251  10.150   3.390
  209    HB   THR  27           HB       THR  27  14.495   7.328   4.139
  210    HG1  THR  27           1HG      THR  27  13.381   9.657   4.944
  211   HG21  THR  27          3HG2      THR  27  16.849   7.978   4.492
  212   HG22  THR  27          1HG2      THR  27  16.032   7.715   6.033
  213   HG23  THR  27          2HG2      THR  27  16.322   9.357   5.458
  214    H    TRP  28           H        TRP  28  13.722   8.165   1.347
  215    HA   TRP  28           HA       TRP  28  16.109   7.624  -0.248
  216    HB2  TRP  28           2HB      TRP  28  15.456   5.529   0.990
  217    HB3  TRP  28           1HB      TRP  28  13.876   5.610   0.226
  218    HD1  TRP  28           HD       TRP  28  13.660   4.177  -1.893
  219    HE1  TRP  28           1HE      TRP  28  15.287   3.110  -3.571
  220    HE3  TRP  28           3HE      TRP  28  18.048   6.089  -0.102
  221    HZ2  TRP  28           2HZ      TRP  28  18.056   3.089  -4.077
  222    HZ3  TRP  28           3HZ      TRP  28  20.144   5.497  -1.248
  223    HH2  TRP  28           HH       TRP  28  20.145   4.027  -3.191
  224    H    SER  29           H        SER  29  15.413   7.254  -2.573
  225    HA   SER  29           HA       SER  29  13.405   9.201  -3.240
  226    HB2  SER  29           2HB      SER  29  15.083   7.457  -5.035
  227    HB3  SER  29           1HB      SER  29  14.218   8.929  -5.494
  228    HG   SER  29           HG       SER  29  15.582   9.824  -3.629
  229    HN1  NH2  30           HT1      SER  29  11.367   8.524  -3.070
  230    HN2  NH2  30           HT2      SER  29  10.733   7.028  -3.643
  231    HA   PCA   1           HA       PCA   1 -12.951   3.876  -8.526
  232    HB2  PCA   1           2HB      PCA   1 -13.438   3.021  -5.837
  233    HB3  PCA   1           1HB      PCA   1 -14.115   4.453  -6.662
  234    HG2  PCA   1           2HG      PCA   1 -15.472   2.040  -5.929
  235    HG3  PCA   1           1HG      PCA   1 -16.132   3.423  -6.880
  236    H    LEU   2           H        LEU   2 -10.956   3.398  -8.802
  237    HA   LEU   2           HA       LEU   2  -9.816   0.898  -8.164
  238    HB2  LEU   2           2HB      LEU   2  -7.683   1.696  -8.919
  239    HB3  LEU   2           1HB      LEU   2  -8.917   2.260 -10.012
  240    HG   LEU   2           HG       LEU   2  -7.610   4.000  -7.900
  241   HD11  LEU   2          1HD1      LEU   2  -6.997   3.738 -10.837
  242   HD12  LEU   2          2HD1      LEU   2  -5.959   3.233  -9.502
  243   HD13  LEU   2          3HD1      LEU   2  -6.316   4.944  -9.746
  244   HD21  LEU   2          3HD2      LEU   2  -9.813   4.805  -8.678
  245   HD22  LEU   2          1HD2      LEU   2  -9.236   4.732 -10.343
  246   HD23  LEU   2          2HD2      LEU   2  -8.503   5.860  -9.204
  247    H    TYR   3           H        TYR   3  -9.941   3.871  -6.388
  248    HA   TYR   3           HA       TYR   3  -7.903   3.181  -4.511
  249    HB2  TYR   3           2HB      TYR   3 -10.046   5.268  -4.541
  250    HB3  TYR   3           1HB      TYR   3  -9.109   4.962  -3.094
  251    HD1  TYR   3           1HD      TYR   3  -8.718   5.846  -6.703
  252    HD2  TYR   3           2HD      TYR   3  -7.066   5.969  -2.795
  253    HE1  TYR   3           1HE      TYR   3  -6.928   7.329  -7.505
  254    HE2  TYR   3           2HE      TYR   3  -5.288   7.447  -3.588
  255    HH   TYR   3           HH       TYR   3  -4.162   7.952  -5.628
  256    H    SER   4           H        SER   4 -11.433   3.173  -4.291
  257    HA   SER   4           HA       SER   4 -11.638   2.121  -1.733
  258    HB2  SER   4           2HB      SER   4 -13.511   1.630  -4.039
  259    HB3  SER   4           1HB      SER   4 -13.907   1.665  -2.317
  260    HG   SER   4           HG       SER   4 -13.147   3.888  -2.366
  261    H    ALA   5           H        ALA   5 -11.314   0.527  -4.881
  262    HA   ALA   5           HA       ALA   5 -11.615  -2.096  -3.831
  263    HB1  ALA   5           1HB      ALA   5 -10.930  -2.849  -6.045
  264    HB2  ALA   5           2HB      ALA   5 -10.449  -1.203  -6.464
  265    HB3  ALA   5           3HB      ALA   5 -12.146  -1.577  -6.157
  266    H    LEU   6           H        LEU   6  -8.939   0.081  -4.292
  267    HA   LEU   6           HA       LEU   6  -6.794  -1.724  -4.264
  268    HB2  LEU   6           2HB      LEU   6  -6.804   0.780  -4.789
  269    HB3  LEU   6           1HB      LEU   6  -6.826   1.052  -3.071
  270    HG   LEU   6           HG       LEU   6  -4.559  -0.446  -4.390
  271   HD11  LEU   6          1HD1      LEU   6  -3.396   1.713  -4.524
  272   HD12  LEU   6          2HD1      LEU   6  -4.892   2.538  -4.079
  273   HD13  LEU   6          3HD1      LEU   6  -4.800   1.621  -5.577
  274   HD21  LEU   6          3HD2      LEU   6  -3.252   0.460  -2.442
  275   HD22  LEU   6          1HD2      LEU   6  -4.615  -0.526  -1.908
  276   HD23  LEU   6          2HD2      LEU   6  -4.709   1.229  -1.848
  277    H    ALA   7           H        ALA   7  -8.276   0.100  -1.628
  278    HA   ALA   7           HA       ALA   7  -6.782  -0.941   0.484
  279    HB1  ALA   7           1HB      ALA   7  -8.619  -0.222   1.940
  280    HB2  ALA   7           2HB      ALA   7  -9.673  -0.062   0.536
  281    HB3  ALA   7           3HB      ALA   7  -8.272   0.994   0.712
  282    H    ASN   8           H        ASN   8  -9.761  -2.111  -0.955
  283    HA   ASN   8           HA       ASN   8 -10.102  -4.295   0.832
  284    HB2  ASN   8           2HB      ASN   8 -11.286  -3.819  -1.906
  285    HB3  ASN   8           1HB      ASN   8 -11.753  -5.138  -0.841
  286   HD21  ASN   8          1HD2      ASN   8 -11.527  -3.426   1.583
  287   HD22  ASN   8          2HD2      ASN   8 -12.901  -2.413   1.533
  288    H    LYS   9           H        LYS   9  -8.650  -3.972  -2.337
  289    HA   LYS   9           HA       LYS   9  -8.157  -6.661  -2.913
  290    HB2  LYS   9           2HB      LYS   9  -7.893  -4.723  -4.489
  291    HB3  LYS   9           1HB      LYS   9  -6.473  -4.246  -3.593
  292    HG2  LYS   9           2HG      LYS   9  -5.795  -5.358  -5.591
  293    HG3  LYS   9           1HG      LYS   9  -5.388  -6.376  -4.208
  294    HD2  LYS   9           2HD      LYS   9  -6.310  -7.721  -6.003
  295    HD3  LYS   9           1HD      LYS   9  -7.413  -7.712  -4.632
  296    HE2  LYS   9           2HE      LYS   9  -8.795  -6.024  -5.744
  297    HE3  LYS   9           1HE      LYS   9  -7.670  -5.994  -7.103
  298    HZ1  LYS   9           3HZ      LYS   9  -8.186  -8.298  -7.518
  299    HZ2  LYS   9           1HZ      LYS   9  -9.587  -7.379  -7.569
  300    HZ3  LYS   9           2HZ      LYS   9  -9.246  -8.347  -6.225
  301    H    CYS  10           H        CYS  10  -6.140  -4.285  -1.256
  302    HA   CYS  10           HA       CYS  10  -3.961  -6.009  -0.730
  303    HB2  CYS  10           2HB      CYS  10  -4.866  -3.693   0.968
  304    HB3  CYS  10           1HB      CYS  10  -3.239  -4.335   0.786
  305    H    CYS  11           H        CYS  11  -7.004  -5.435   0.913
  306    HA   CYS  11           HA       CYS  11  -6.168  -6.795   3.298
  307    HB2  CYS  11           2HB      CYS  11  -7.815  -4.904   3.269
  308    HB3  CYS  11           1HB      CYS  11  -8.959  -5.976   2.486
  309    H    HIS  12           H        HIS  12  -8.003  -7.557   0.427
  310    HA   HIS  12           HA       HIS  12  -8.920 -10.089   1.397
  311    HB2  HIS  12           2HB      HIS  12  -8.917  -8.789  -1.304
  312    HB3  HIS  12           1HB      HIS  12  -9.409 -10.459  -1.106
  313    HD1  HIS  12           1HD      HIS  12 -11.904 -10.189  -1.591
  314    HD2  HIS  12           2HD      HIS  12 -10.511  -7.497   1.231
  315    HE1  HIS  12           1HE      HIS  12 -13.927  -8.989  -0.741
  316    H    VAL  13           H        VAL  13  -6.500  -9.103  -0.942
  317    HA   VAL  13           HA       VAL  13  -5.297 -11.756  -0.640
  318    HB   VAL  13           HB       VAL  13  -4.627 -11.632  -3.058
  319   HG11  VAL  13          1HG1      VAL  13  -6.498 -13.065  -2.297
  320   HG12  VAL  13          2HG1      VAL  13  -6.868 -12.381  -3.888
  321   HG13  VAL  13          3HG1      VAL  13  -7.587 -11.683  -2.436
  322   HG21  VAL  13          3HG2      VAL  13  -6.004 -10.239  -4.570
  323   HG22  VAL  13          1HG2      VAL  13  -4.998  -9.273  -3.490
  324   HG23  VAL  13          2HG2      VAL  13  -6.719  -9.458  -3.159
  325    H    GLY  14           H        GLY  14  -4.705  -8.507  -1.749
  326    HA2  GLY  14           2HA      GLY  14  -2.787  -7.517  -0.342
  327    HA3  GLY  14           1HA      GLY  14  -1.843  -8.733  -1.149
  328    H    CYS  15           H        CYS  15  -1.074  -6.243  -1.638
  329    HA   CYS  15           HA       CYS  15  -1.795  -5.854  -4.420
  330    HB2  CYS  15           2HB      CYS  15  -2.142  -3.438  -4.052
  331    HB3  CYS  15           1HB      CYS  15  -3.388  -4.432  -3.302
  332    H    THR  16           H        THR  16  -0.330  -4.179  -5.395
  333    HA   THR  16           HA       THR  16   2.282  -4.676  -4.416
  334    HB   THR  16           HB       THR  16   3.007  -3.446  -6.451
  335    HG1  THR  16           1HG      THR  16   0.419  -3.498  -7.471
  336   HG21  THR  16          3HG2      THR  16   2.664  -5.870  -6.538
  337   HG22  THR  16          1HG2      THR  16   2.230  -5.119  -8.073
  338   HG23  THR  16          2HG2      THR  16   0.968  -5.621  -6.947
  339    H    LYS  17           H        LYS  17   3.699  -3.133  -3.939
  340    HA   LYS  17           HA       LYS  17   2.768  -1.114  -2.151
  341    HB2  LYS  17           2HB      LYS  17   4.965  -2.444  -2.341
  342    HB3  LYS  17           1HB      LYS  17   5.585  -1.087  -3.256
  343    HG2  LYS  17           2HG      LYS  17   6.267  -0.859  -1.007
  344    HG3  LYS  17           1HG      LYS  17   4.989   0.346  -1.269
  345    HD2  LYS  17           2HD      LYS  17   3.381  -1.043  -0.136
  346    HD3  LYS  17           1HD      LYS  17   4.514  -2.391  -0.073
  347    HE2  LYS  17           2HE      LYS  17   4.819   0.249   1.376
  348    HE3  LYS  17           1HE      LYS  17   4.283  -1.269   2.091
  349    HZ1  LYS  17           3HZ      LYS  17   6.976  -0.721   0.951
  350    HZ2  LYS  17           1HZ      LYS  17   6.445  -2.240   1.471
  351    HZ3  LYS  17           2HZ      LYS  17   6.593  -0.958   2.558
  352    H    ARG  18           H        ARG  18   3.736  -0.988  -5.522
  353    HA   ARG  18           HA       ARG  18   3.743   1.826  -5.866
  354    HB2  ARG  18           2HB      ARG  18   2.914   1.353  -8.172
  355    HB3  ARG  18           1HB      ARG  18   4.490   0.657  -7.853
  356    HG2  ARG  18           2HG      ARG  18   3.216  -1.500  -7.487
  357    HG3  ARG  18           1HG      ARG  18   1.788  -0.641  -8.067
  358    HD2  ARG  18           2HD      ARG  18   2.995  -0.114 -10.153
  359    HD3  ARG  18           1HD      ARG  18   4.365  -1.056  -9.568
  360    HE   ARG  18           HE       ARG  18   1.869  -2.475  -9.627
  361   HH11  ARG  18          1HH1      ARG  18   4.804  -1.675 -11.458
  362   HH12  ARG  18          2HH1      ARG  18   4.620  -2.931 -12.578
  363   HH21  ARG  18          1HH2      ARG  18   1.633  -4.237 -11.161
  364   HH22  ARG  18          2HH2      ARG  18   2.788  -4.425 -12.395
  365    H    SER  19           H        SER  19   1.295  -0.450  -5.790
  366    HA   SER  19           HA       SER  19  -0.852   1.104  -6.695
  367    HB2  SER  19           2HB      SER  19  -0.887  -1.345  -6.674
  368    HB3  SER  19           1HB      SER  19  -0.877  -1.405  -4.930
  369    HG   SER  19           HG       SER  19  -2.873  -0.023  -6.371
  370    H    LEU  20           H        LEU  20   0.112   0.248  -3.336
  371    HA   LEU  20           HA       LEU  20  -1.718   2.210  -2.212
  372    HB2  LEU  20           2HB      LEU  20   0.663   1.448  -0.574
  373    HB3  LEU  20           1HB      LEU  20  -0.952   1.785  -0.122
  374    HG   LEU  20           HG       LEU  20  -1.572  -0.490  -1.150
  375   HD11  LEU  20          1HD1      LEU  20   0.594  -0.929  -2.208
  376   HD12  LEU  20          2HD1      LEU  20   0.211  -2.131  -0.979
  377   HD13  LEU  20          3HD1      LEU  20   1.361  -0.843  -0.621
  378   HD21  LEU  20          3HD2      LEU  20   0.063  -0.278   1.335
  379   HD22  LEU  20          1HD2      LEU  20  -1.076  -1.560   0.949
  380   HD23  LEU  20          2HD2      LEU  20  -1.673   0.086   1.221
  381    H    ALA  21           H        ALA  21   1.357   2.382  -3.523
  382    HA   ALA  21           HA       ALA  21   2.247   4.773  -2.330
  383    HB1  ALA  21           1HB      ALA  21   3.726   3.360  -3.713
  384    HB2  ALA  21           2HB      ALA  21   3.748   5.041  -4.245
  385    HB3  ALA  21           3HB      ALA  21   2.822   3.843  -5.148
  386    H    ARG  22           H        ARG  22   0.133   4.118  -5.003
  387    HA   ARG  22           HA       ARG  22  -0.174   6.895  -5.773
  388    HB2  ARG  22           2HB      ARG  22  -1.733   4.465  -6.636
  389    HB3  ARG  22           1HB      ARG  22  -1.733   6.039  -7.424
  390    HG2  ARG  22           2HG      ARG  22   0.628   5.794  -7.932
  391    HG3  ARG  22           1HG      ARG  22   0.589   4.254  -7.051
  392    HD2  ARG  22           2HD      ARG  22  -0.942   3.332  -8.679
  393    HD3  ARG  22           1HD      ARG  22  -0.998   4.875  -9.538
  394    HE   ARG  22           HE       ARG  22   1.642   3.939  -9.275
  395   HH11  ARG  22          1HH1      ARG  22  -1.293   3.313 -11.129
  396   HH12  ARG  22          2HH1      ARG  22  -0.464   2.808 -12.531
  397   HH21  ARG  22          1HH2      ARG  22   2.774   3.240 -11.174
  398   HH22  ARG  22          2HH2      ARG  22   1.894   2.736 -12.546
  399    H    PHE  23           H        PHE  23  -1.526   4.700  -3.667
  400    HA   PHE  23           HA       PHE  23  -4.138   5.914  -3.400
  401    HB2  PHE  23           2HB      PHE  23  -3.501   3.532  -2.602
  402    HB3  PHE  23           1HB      PHE  23  -2.752   4.315  -1.248
  403    HD1  PHE  23           1HD      PHE  23  -4.200   5.879   0.229
  404    HD2  PHE  23           2HD      PHE  23  -5.846   3.018  -2.458
  405    HE1  PHE  23           1HE      PHE  23  -6.321   5.927   1.469
  406    HE2  PHE  23           2HE      PHE  23  -7.955   3.072  -1.224
  407    HZ   PHE  23           HZ       PHE  23  -8.200   4.525   0.740
  408    H    CYS  24           H        CYS  24  -1.493   5.608  -1.274
  409    HA   CYS  24           HA       CYS  24  -0.420   6.924   0.242
  410    HB2  CYS  24           2HB      CYS  24  -0.134   8.465  -1.725
  411    HB3  CYS  24           1HB      CYS  24  -1.594   9.312  -1.232
  412    HN1  NH2  25           HT1      CYS  24  -3.123   9.208  -0.047
  413    HN2  NH2  25           HT2      CYS  24  -3.741   8.916   1.538
  Start of MODEL   14
    1    H1   ASP   1           1HT      ASP   1  12.709  -5.026   0.905
    2    H2   ASP   1           2HT      ASP   1  11.109  -4.582   0.691
    3    H3   ASP   1           3HT      ASP   1  11.783  -4.529   2.220
    4    HA   ASP   1           HA       ASP   1  11.551  -2.344   1.306
    5    HB2  ASP   1           2HB      ASP   1  14.390  -3.293   1.633
    6    HB3  ASP   1           1HB      ASP   1  13.978  -1.596   1.416
    7    H    SER   2           H        SER   2  12.930  -4.570  -0.993
    8    HA   SER   2           HA       SER   2  13.651  -2.509  -2.832
    9    HB2  SER   2           2HB      SER   2  12.863  -5.265  -3.543
   10    HB3  SER   2           1HB      SER   2  13.980  -4.231  -4.398
   11    HG   SER   2           HG       SER   2  14.760  -4.617  -1.813
   12    H    TRP   3           H        TRP   3  12.360  -1.460  -3.922
   13    HA   TRP   3           HA       TRP   3   9.590  -1.446  -3.361
   14    HB2  TRP   3           2HB      TRP   3  11.031   0.145  -5.486
   15    HB3  TRP   3           1HB      TRP   3   9.402   0.464  -4.899
   16    HD1  TRP   3           HD       TRP   3  12.904   1.453  -4.309
   17    HE1  TRP   3           1HE      TRP   3  13.145   2.763  -2.092
   18    HE3  TRP   3           3HE      TRP   3   8.341   0.414  -2.209
   19    HZ2  TRP   3           2HZ      TRP   3  11.632   3.278   0.204
   20    HZ3  TRP   3           3HZ      TRP   3   7.841   1.353   0.007
   21    HH2  TRP   3           HH       TRP   3   9.447   2.753   1.181
   22    H    MET   4           H        MET   4  11.340  -2.673  -6.085
   23    HA   MET   4           HA       MET   4   9.174  -3.049  -7.850
   24    HB2  MET   4           2HB      MET   4  11.683  -4.743  -7.676
   25    HB3  MET   4           1HB      MET   4  10.582  -4.669  -9.033
   26    HG2  MET   4           2HG      MET   4  12.456  -3.388  -9.643
   27    HG3  MET   4           1HG      MET   4  11.193  -2.229  -9.253
   28    HE1  MET   4           3HE      MET   4  14.612  -3.812  -8.224
   29    HE2  MET   4           1HE      MET   4  13.601  -4.341  -6.879
   30    HE3  MET   4           2HE      MET   4  14.880  -3.159  -6.611
   31    H    GLU   5           H        GLU   5  10.281  -4.874  -5.089
   32    HA   GLU   5           HA       GLU   5   8.424  -7.030  -5.788
   33    HB2  GLU   5           2HB      GLU   5  10.887  -7.110  -4.057
   34    HB3  GLU   5           1HB      GLU   5   9.766  -8.448  -4.260
   35    HG2  GLU   5           2HG      GLU   5  11.490  -7.188  -6.373
   36    HG3  GLU   5           1HG      GLU   5  11.660  -8.798  -5.671
   37    H    GLU   6           H        GLU   6   8.311  -4.375  -4.108
   38    HA   GLU   6           HA       GLU   6   7.535  -5.427  -1.579
   39    HB2  GLU   6           2HB      GLU   6   7.287  -2.643  -2.694
   40    HB3  GLU   6           1HB      GLU   6   6.677  -3.204  -1.130
   41    HG2  GLU   6           2HG      GLU   6   9.551  -3.339  -1.944
   42    HG3  GLU   6           1HG      GLU   6   8.843  -2.039  -0.984
   43    H    VAL   7           H        VAL   7   5.898  -6.415  -1.326
   44    HA   VAL   7           HA       VAL   7   3.298  -5.473  -2.155
   45    HB   VAL   7           HB       VAL   7   3.820  -7.040  -3.990
   46   HG11  VAL   7          1HG1      VAL   7   5.532  -8.372  -2.914
   47   HG12  VAL   7          2HG1      VAL   7   4.284  -9.405  -3.607
   48   HG13  VAL   7          3HG1      VAL   7   4.320  -9.114  -1.869
   49   HG21  VAL   7          3HG2      VAL   7   1.948  -8.659  -3.743
   50   HG22  VAL   7          1HG2      VAL   7   1.491  -7.034  -3.238
   51   HG23  VAL   7          2HG2      VAL   7   1.845  -8.250  -2.032
   52    H    ILE   8           H        ILE   8   1.812  -5.783  -0.643
   53    HA   ILE   8           HA       ILE   8   2.379  -7.641   1.488
   54    HB   ILE   8           HB       ILE   8   1.929  -6.078   3.273
   55   HG12  ILE   8          2HG1      ILE   8   0.479  -4.448   2.071
   56   HG13  ILE   8          1HG1      ILE   8   1.705  -3.665   3.050
   57   HG21  ILE   8          1HG2      ILE   8   4.232  -6.369   2.797
   58   HG22  ILE   8          2HG2      ILE   8   3.949  -4.706   3.310
   59   HG23  ILE   8          3HG2      ILE   8   4.196  -5.071   1.602
   60   HD11  ILE   8          3HD1      ILE   8   1.406  -2.513   0.946
   61   HD12  ILE   8          1HD1      ILE   8   1.739  -3.998   0.052
   62   HD13  ILE   8          2HD1      ILE   8   3.012  -3.238   1.007
   63    H    LYS   9           H        LYS   9   0.486  -7.980   2.789
   64    HA   LYS   9           HA       LYS   9  -1.916  -7.032   1.495
   65    HB2  LYS   9           2HB      LYS   9  -3.029  -9.216   2.035
   66    HB3  LYS   9           1HB      LYS   9  -1.811  -9.297   0.778
   67    HG2  LYS   9           2HG      LYS   9  -0.222 -10.230   2.423
   68    HG3  LYS   9           1HG      LYS   9  -1.500 -10.188   3.639
   69    HD2  LYS   9           2HD      LYS   9  -1.597 -11.739   1.047
   70    HD3  LYS   9           1HD      LYS   9  -1.251 -12.428   2.630
   71    HE2  LYS   9           2HE      LYS   9  -3.834 -11.081   1.800
   72    HE3  LYS   9           1HE      LYS   9  -3.581 -12.808   1.981
   73    HZ1  LYS   9           3HZ      LYS   9  -3.112 -12.434   4.345
   74    HZ2  LYS   9           1HZ      LYS   9  -4.655 -11.910   3.907
   75    HZ3  LYS   9           2HZ      LYS   9  -3.451 -10.784   4.149
   76    H    LEU  10           H        LEU  10  -1.921  -5.418   2.901
   77    HA   LEU  10           HA       LEU  10  -2.624  -6.067   5.682
   78    HB2  LEU  10           2HB      LEU  10  -1.287  -3.692   4.453
   79    HB3  LEU  10           1HB      LEU  10  -2.237  -3.490   5.891
   80    HG   LEU  10           HG       LEU  10  -0.837  -4.892   7.176
   81   HD11  LEU  10          1HD1      LEU  10   0.739  -5.393   4.650
   82   HD12  LEU  10          2HD1      LEU  10  -0.225  -6.595   5.513
   83   HD13  LEU  10          3HD1      LEU  10   1.234  -5.927   6.255
   84   HD21  LEU  10          3HD2      LEU  10  -0.109  -2.579   6.883
   85   HD22  LEU  10          1HD2      LEU  10   0.877  -3.067   5.511
   86   HD23  LEU  10          2HD2      LEU  10   1.267  -3.658   7.128
   87    H    CYS  11           H        CYS  11  -4.005  -4.254   6.569
   88    HA   CYS  11           HA       CYS  11  -6.106  -3.536   4.691
   89    HB2  CYS  11           2HB      CYS  11  -6.507  -5.786   5.088
   90    HB3  CYS  11           1HB      CYS  11  -6.539  -5.606   6.853
   91    H    GLY  12           H        GLY  12  -7.725  -2.400   5.673
   92    HA2  GLY  12           2HA      GLY  12  -8.476  -0.544   6.933
   93    HA3  GLY  12           1HA      GLY  12  -7.988  -1.526   8.284
   94    H    ARG  13           H        ARG  13  -6.854  -0.564   9.571
   95    HA   ARG  13           HA       ARG  13  -5.618   1.961   9.209
   96    HB2  ARG  13           2HB      ARG  13  -5.163  -0.067  11.382
   97    HB3  ARG  13           1HB      ARG  13  -4.619   1.596  11.420
   98    HG2  ARG  13           2HG      ARG  13  -6.908   2.368  11.475
   99    HG3  ARG  13           1HG      ARG  13  -7.490   0.706  11.325
  100    HD2  ARG  13           2HD      ARG  13  -5.821   1.809  13.584
  101    HD3  ARG  13           1HD      ARG  13  -7.541   1.440  13.663
  102    HE   ARG  13           HE       ARG  13  -6.453  -0.899  12.878
  103   HH11  ARG  13          1HH1      ARG  13  -5.750   1.243  15.583
  104   HH12  ARG  13          2HH1      ARG  13  -5.152   0.027  16.607
  105   HH21  ARG  13          1HH2      ARG  13  -5.633  -2.611  14.280
  106   HH22  ARG  13          2HH2      ARG  13  -5.121  -2.224  15.852
  107    H    GLU  14           H        GLU  14  -4.332  -1.353   9.226
  108    HA   GLU  14           HA       GLU  14  -1.611  -0.598   9.344
  109    HB2  GLU  14           2HB      GLU  14  -2.885  -3.122   8.297
  110    HB3  GLU  14           1HB      GLU  14  -1.172  -2.909   8.563
  111    HG2  GLU  14           2HG      GLU  14  -1.907  -4.134  10.404
  112    HG3  GLU  14           1HG      GLU  14  -1.800  -2.487  11.012
  113    H    LEU  15           H        LEU  15  -3.888  -1.108   6.893
  114    HA   LEU  15           HA       LEU  15  -2.113  -1.121   4.695
  115    HB2  LEU  15           2HB      LEU  15  -4.498  -1.921   4.776
  116    HB3  LEU  15           1HB      LEU  15  -4.981  -0.243   4.692
  117    HG   LEU  15           HG       LEU  15  -3.940  -0.044   2.489
  118   HD11  LEU  15          1HD1      LEU  15  -3.119  -2.074   1.384
  119   HD12  LEU  15          2HD1      LEU  15  -3.341  -2.974   2.885
  120   HD13  LEU  15          3HD1      LEU  15  -2.144  -1.682   2.798
  121   HD21  LEU  15          3HD2      LEU  15  -6.266  -0.701   2.646
  122   HD22  LEU  15          1HD2      LEU  15  -5.788  -2.393   2.811
  123   HD23  LEU  15          2HD2      LEU  15  -5.467  -1.535   1.303
  124    H    VAL  16           H        VAL  16  -3.959   1.393   6.323
  125    HA   VAL  16           HA       VAL  16  -3.115   3.602   4.704
  126    HB   VAL  16           HB       VAL  16  -3.950   3.568   7.625
  127   HG11  VAL  16          1HG1      VAL  16  -3.897   5.855   5.658
  128   HG12  VAL  16          2HG1      VAL  16  -2.821   5.634   7.041
  129   HG13  VAL  16          3HG1      VAL  16  -4.543   5.919   7.300
  130   HG21  VAL  16          3HG2      VAL  16  -5.627   4.009   5.161
  131   HG22  VAL  16          1HG2      VAL  16  -6.178   4.220   6.824
  132   HG23  VAL  16          2HG2      VAL  16  -5.695   2.623   6.251
  133    H    ARG  17           H        ARG  17  -1.862   2.041   7.588
  134    HA   ARG  17           HA       ARG  17   0.240   3.786   8.121
  135    HB2  ARG  17           2HB      ARG  17  -0.071   0.849   8.630
  136    HB3  ARG  17           1HB      ARG  17   1.335   1.744   9.181
  137    HG2  ARG  17           2HG      ARG  17  -0.062   3.142  10.568
  138    HG3  ARG  17           1HG      ARG  17  -1.511   2.353   9.943
  139    HD2  ARG  17           2HD      ARG  17  -0.807   1.524  12.179
  140    HD3  ARG  17           1HD      ARG  17  -0.881   0.265  10.959
  141    HE   ARG  17           HE       ARG  17   1.469   0.261  10.844
  142   HH11  ARG  17          1HH1      ARG  17   0.184   2.192  13.523
  143   HH12  ARG  17          2HH1      ARG  17   1.589   2.075  14.471
  144   HH21  ARG  17          1HH2      ARG  17   3.410   0.097  12.174
  145   HH22  ARG  17          2HH2      ARG  17   3.485   0.882  13.681
  146    H    ALA  18           H        ALA  18   0.120   0.967   6.084
  147    HA   ALA  18           HA       ALA  18   2.811   1.030   5.200
  148    HB1  ALA  18           1HB      ALA  18   1.385  -0.950   4.927
  149    HB2  ALA  18           2HB      ALA  18   2.084  -0.452   3.386
  150    HB3  ALA  18           3HB      ALA  18   0.400  -0.078   3.753
  151    H    GLN  19           H        GLN  19  -0.084   2.557   4.047
  152    HA   GLN  19           HA       GLN  19   0.890   3.711   1.675
  153    HB2  GLN  19           2HB      GLN  19  -1.310   4.223   3.574
  154    HB3  GLN  19           1HB      GLN  19  -1.056   5.430   2.349
  155    HG2  GLN  19           2HG      GLN  19  -1.421   3.815   0.637
  156    HG3  GLN  19           1HG      GLN  19  -1.382   2.497   1.814
  157   HE21  GLN  19          1HE2      GLN  19  -3.344   1.748   1.230
  158   HE22  GLN  19          2HE2      GLN  19  -4.816   2.566   1.592
  159    H    ILE  20           H        ILE  20   0.464   5.113   4.883
  160    HA   ILE  20           HA       ILE  20   1.844   7.523   4.427
  161    HB   ILE  20           HB       ILE  20   1.598   5.983   7.037
  162   HG12  ILE  20          2HG1      ILE  20  -0.115   8.221   5.921
  163   HG13  ILE  20          1HG1      ILE  20  -0.571   6.526   5.994
  164   HG21  ILE  20          1HG2      ILE  20   1.987   8.147   8.157
  165   HG22  ILE  20          2HG2      ILE  20   2.257   8.904   6.587
  166   HG23  ILE  20          3HG2      ILE  20   3.372   7.669   7.172
  167   HD11  ILE  20          3HD1      ILE  20  -1.627   7.812   7.768
  168   HD12  ILE  20          1HD1      ILE  20  -0.043   8.312   8.361
  169   HD13  ILE  20          2HD1      ILE  20  -0.517   6.614   8.435
  170    H    ALA  21           H        ALA  21   2.978   4.334   5.298
  171    HA   ALA  21           HA       ALA  21   5.661   4.995   5.812
  172    HB1  ALA  21           1HB      ALA  21   4.559   2.362   4.853
  173    HB2  ALA  21           2HB      ALA  21   4.606   2.891   6.533
  174    HB3  ALA  21           3HB      ALA  21   6.109   2.624   5.655
  175    H    ILE  22           H        ILE  22   3.943   4.215   2.843
  176    HA   ILE  22           HA       ILE  22   6.395   4.153   1.341
  177    HB   ILE  22           HB       ILE  22   4.150   2.837   0.780
  178   HG12  ILE  22          2HG1      ILE  22   6.161   2.665  -0.623
  179   HG13  ILE  22          1HG1      ILE  22   4.694   2.692  -1.594
  180   HG21  ILE  22          1HG2      ILE  22   2.624   4.661   0.687
  181   HG22  ILE  22          2HG2      ILE  22   2.700   3.837  -0.871
  182   HG23  ILE  22          3HG2      ILE  22   3.520   5.383  -0.649
  183   HD11  ILE  22          3HD1      ILE  22   6.613   4.978  -1.207
  184   HD12  ILE  22          1HD1      ILE  22   5.157   5.011  -2.202
  185   HD13  ILE  22          2HD1      ILE  22   6.498   3.946  -2.632
  186    H    CYS  23           H        CYS  23   3.771   6.429   1.875
  187    HA   CYS  23           HA       CYS  23   4.782   8.294  -0.029
  188    HB2  CYS  23           2HB      CYS  23   2.672   8.376   2.055
  189    HB3  CYS  23           1HB      CYS  23   3.179   9.850   1.238
  190    H    GLY  24           H        GLY  24   5.325   7.777   3.274
  191    HA2  GLY  24           2HA      GLY  24   6.755  10.273   3.653
  192    HA3  GLY  24           1HA      GLY  24   6.611   8.975   4.829
  193    H    MET  25           H        MET  25   7.491   7.278   2.333
  194    HA   MET  25           HA       MET  25  10.372   7.853   2.434
  195    HB2  MET  25           2HB      MET  25   9.647   5.947   3.998
  196    HB3  MET  25           1HB      MET  25   9.143   5.076   2.559
  197    HG2  MET  25           2HG      MET  25  11.299   4.280   3.235
  198    HG3  MET  25           1HG      MET  25  11.477   5.185   1.733
  199    HE1  MET  25           3HE      MET  25  14.836   5.945   3.589
  200    HE2  MET  25           1HE      MET  25  14.091   5.352   2.104
  201    HE3  MET  25           2HE      MET  25  13.933   4.430   3.599
  202    H    SER  26           H        SER  26   8.838   8.812   0.513
  203    HA   SER  26           HA       SER  26   8.239   6.898  -1.501
  204    HB2  SER  26           2HB      SER  26   7.462   9.072  -2.703
  205    HB3  SER  26           1HB      SER  26   6.555   8.436  -1.327
  206    HG   SER  26           HG       SER  26   6.977  10.172  -0.282
  207    H    THR  27           H        THR  27  10.485   6.370  -1.547
  208    HA   THR  27           HA       THR  27  12.253   7.989  -3.115
  209    HB   THR  27           HB       THR  27  12.434   5.010  -2.646
  210    HG1  THR  27           1HG      THR  27  12.685   7.154  -0.911
  211   HG21  THR  27          3HG2      THR  27  14.864   5.405  -2.820
  212   HG22  THR  27          1HG2      THR  27  14.561   7.117  -3.110
  213   HG23  THR  27          2HG2      THR  27  14.032   5.917  -4.289
  214    H    TRP  28           H        TRP  28  10.273   5.393  -3.594
  215    HA   TRP  28           HA       TRP  28  10.020   5.924  -6.453
  216    HB2  TRP  28           2HB      TRP  28  10.674   3.196  -5.326
  217    HB3  TRP  28           1HB      TRP  28   9.962   3.415  -6.922
  218    HD1  TRP  28           HD       TRP  28  13.249   3.551  -5.096
  219    HE1  TRP  28           1HE      TRP  28  15.120   4.168  -6.754
  220    HE3  TRP  28           3HE      TRP  28  10.388   4.864  -9.122
  221    HZ2  TRP  28           2HZ      TRP  28  15.360   5.086  -9.397
  222    HZ3  TRP  28           3HZ      TRP  28  11.519   5.601 -11.176
  223    HH2  TRP  28           HH       TRP  28  13.954   5.709 -11.309
  224    H    SER  29           H        SER  29   7.985   6.084  -6.996
  225    HA   SER  29           HA       SER  29   6.006   4.811  -5.258
  226    HB2  SER  29           2HB      SER  29   5.716   7.272  -6.998
  227    HB3  SER  29           1HB      SER  29   4.472   6.602  -5.940
  228    HG   SER  29           HG       SER  29   7.027   7.463  -5.078
  229    HN1  NH2  30           HT1      SER  29   6.005   2.871  -6.383
  230    HN2  NH2  30           HT2      SER  29   5.396   2.718  -7.995
  231    HA   PCA   1           HA       PCA   1 -14.356   3.709  -4.489
  232    HB2  PCA   1           2HB      PCA   1 -14.202   1.823  -6.618
  233    HB3  PCA   1           1HB      PCA   1 -15.691   2.349  -5.783
  234    HG2  PCA   1           2HG      PCA   1 -14.822   2.987  -8.472
  235    HG3  PCA   1           1HG      PCA   1 -16.318   3.532  -7.640
  236    H    LEU   2           H        LEU   2 -12.204   5.065  -5.695
  237    HA   LEU   2           HA       LEU   2  -9.957   3.380  -6.404
  238    HB2  LEU   2           2HB      LEU   2  -9.931   6.106  -5.154
  239    HB3  LEU   2           1HB      LEU   2  -8.555   5.299  -5.876
  240    HG   LEU   2           HG       LEU   2 -11.026   6.210  -7.345
  241   HD11  LEU   2          1HD1      LEU   2  -9.510   7.841  -8.364
  242   HD12  LEU   2          2HD1      LEU   2  -8.217   7.298  -7.294
  243   HD13  LEU   2          3HD1      LEU   2  -9.654   8.074  -6.626
  244   HD21  LEU   2          3HD2      LEU   2 -10.038   4.216  -8.349
  245   HD22  LEU   2          1HD2      LEU   2  -8.460   5.007  -8.363
  246   HD23  LEU   2          2HD2      LEU   2  -9.772   5.640  -9.352
  247    H    TYR   3           H        TYR   3 -10.934   4.692  -3.343
  248    HA   TYR   3           HA       TYR   3  -8.654   3.405  -2.219
  249    HB2  TYR   3           2HB      TYR   3  -9.650   5.612  -1.386
  250    HB3  TYR   3           1HB      TYR   3 -10.886   4.609  -0.609
  251    HD1  TYR   3           2HD      TYR   3  -7.261   4.608  -1.123
  252    HD2  TYR   3           1HD      TYR   3 -10.453   3.996   1.594
  253    HE1  TYR   3           2HE      TYR   3  -5.671   4.052   0.526
  254    HE2  TYR   3           1HE      TYR   3  -8.842   3.408   3.350
  255    HH   TYR   3           HH       TYR   3  -5.553   4.056   3.020
  256    H    SER   4           H        SER   4 -12.084   2.930  -2.426
  257    HA   SER   4           HA       SER   4 -12.487   0.853  -0.674
  258    HB2  SER   4           2HB      SER   4 -13.750   1.260  -3.372
  259    HB3  SER   4           1HB      SER   4 -14.461   0.456  -1.970
  260    HG   SER   4           HG       SER   4 -14.998   2.276  -1.216
  261    H    ALA   5           H        ALA   5 -11.647   0.733  -4.140
  262    HA   ALA   5           HA       ALA   5 -11.559  -2.071  -4.286
  263    HB1  ALA   5           1HB      ALA   5 -10.528  -1.745  -6.458
  264    HB2  ALA   5           2HB      ALA   5 -10.232  -0.049  -6.066
  265    HB3  ALA   5           3HB      ALA   5 -11.885  -0.636  -6.244
  266    H    LEU   6           H        LEU   6  -9.030   0.350  -3.745
  267    HA   LEU   6           HA       LEU   6  -6.877  -1.476  -3.805
  268    HB2  LEU   6           2HB      LEU   6  -6.528   0.960  -3.915
  269    HB3  LEU   6           1HB      LEU   6  -7.118   1.126  -2.274
  270    HG   LEU   6           HG       LEU   6  -5.187  -0.314  -1.536
  271   HD11  LEU   6          1HD1      LEU   6  -3.256  -0.487  -3.017
  272   HD12  LEU   6          2HD1      LEU   6  -4.219   0.172  -4.338
  273   HD13  LEU   6          3HD1      LEU   6  -4.649  -1.381  -3.620
  274   HD21  LEU   6          3HD2      LEU   6  -5.151   2.096  -1.228
  275   HD22  LEU   6          1HD2      LEU   6  -4.534   2.309  -2.865
  276   HD23  LEU   6          2HD2      LEU   6  -3.542   1.509  -1.648
  277    H    ALA   7           H        ALA   7  -8.738  -0.136  -1.090
  278    HA   ALA   7           HA       ALA   7  -7.476  -1.432   1.000
  279    HB1  ALA   7           1HB      ALA   7  -9.516  -1.051   2.274
  280    HB2  ALA   7           2HB      ALA   7 -10.401  -0.730   0.783
  281    HB3  ALA   7           3HB      ALA   7  -9.116   0.363   1.300
  282    H    ASN   8           H        ASN   8 -10.269  -2.466  -0.862
  283    HA   ASN   8           HA       ASN   8 -10.728  -4.909   0.434
  284    HB2  ASN   8           2HB      ASN   8 -12.376  -3.902  -1.055
  285    HB3  ASN   8           1HB      ASN   8 -11.288  -4.093  -2.422
  286   HD21  ASN   8          1HD2      ASN   8 -11.138  -6.103  -3.438
  287   HD22  ASN   8          2HD2      ASN   8 -12.156  -7.411  -3.024
  288    H    LYS   9           H        LYS   9  -8.685  -4.054  -2.264
  289    HA   LYS   9           HA       LYS   9  -8.103  -6.712  -3.065
  290    HB2  LYS   9           2HB      LYS   9  -7.924  -4.583  -4.486
  291    HB3  LYS   9           1HB      LYS   9  -6.505  -4.227  -3.559
  292    HG2  LYS   9           2HG      LYS   9  -5.314  -6.073  -4.403
  293    HG3  LYS   9           1HG      LYS   9  -6.760  -6.731  -5.180
  294    HD2  LYS   9           2HD      LYS   9  -6.895  -4.712  -6.577
  295    HD3  LYS   9           1HD      LYS   9  -5.408  -4.125  -5.832
  296    HE2  LYS   9           2HE      LYS   9  -4.178  -5.979  -6.721
  297    HE3  LYS   9           1HE      LYS   9  -5.654  -6.713  -7.350
  298    HZ1  LYS   9           3HZ      LYS   9  -4.464  -4.137  -8.225
  299    HZ2  LYS   9           1HZ      LYS   9  -5.912  -4.795  -8.810
  300    HZ3  LYS   9           2HZ      LYS   9  -4.455  -5.593  -9.081
  301    H    CYS  10           H        CYS  10  -6.263  -4.371  -1.166
  302    HA   CYS  10           HA       CYS  10  -4.081  -6.180  -0.764
  303    HB2  CYS  10           2HB      CYS  10  -4.883  -3.905   1.030
  304    HB3  CYS  10           1HB      CYS  10  -3.271  -4.542   0.750
  305    H    CYS  11           H        CYS  11  -7.085  -5.479   0.932
  306    HA   CYS  11           HA       CYS  11  -6.420  -6.814   3.325
  307    HB2  CYS  11           2HB      CYS  11  -8.272  -5.090   2.924
  308    HB3  CYS  11           1HB      CYS  11  -9.203  -6.394   2.220
  309    H    HIS  12           H        HIS  12  -7.796  -7.847   0.242
  310    HA   HIS  12           HA       HIS  12  -8.243 -10.488   1.362
  311    HB2  HIS  12           2HB      HIS  12  -9.089  -9.212  -1.209
  312    HB3  HIS  12           1HB      HIS  12  -9.229 -10.945  -0.981
  313    HD1  HIS  12           1HD      HIS  12 -11.233 -11.745   0.478
  314    HD2  HIS  12           2HD      HIS  12 -10.691  -7.635   0.464
  315    HE1  HIS  12           1HE      HIS  12 -13.259 -10.779   1.616
  316    H    VAL  13           H        VAL  13  -6.616  -9.202  -1.540
  317    HA   VAL  13           HA       VAL  13  -5.144 -11.717  -1.550
  318    HB   VAL  13           HB       VAL  13  -4.477 -11.148  -3.894
  319   HG11  VAL  13          1HG1      VAL  13  -6.260 -12.760  -3.422
  320   HG12  VAL  13          2HG1      VAL  13  -6.682 -11.822  -4.859
  321   HG13  VAL  13          3HG1      VAL  13  -7.425 -11.441  -3.305
  322   HG21  VAL  13          3HG2      VAL  13  -4.934  -8.762  -3.936
  323   HG22  VAL  13          1HG2      VAL  13  -6.649  -9.060  -3.660
  324   HG23  VAL  13          2HG2      VAL  13  -5.897  -9.572  -5.170
  325    H    GLY  14           H        GLY  14  -4.604  -8.326  -2.027
  326    HA2  GLY  14           2HA      GLY  14  -2.648  -7.516  -0.545
  327    HA3  GLY  14           1HA      GLY  14  -1.765  -8.730  -1.404
  328    H    CYS  15           H        CYS  15  -1.083  -6.064  -1.449
  329    HA   CYS  15           HA       CYS  15  -1.382  -5.584  -4.283
  330    HB2  CYS  15           2HB      CYS  15  -1.721  -3.170  -3.827
  331    HB3  CYS  15           1HB      CYS  15  -3.082  -4.187  -3.374
  332    H    THR  16           H        THR  16   0.239  -4.107  -5.048
  333    HA   THR  16           HA       THR  16   2.657  -4.564  -3.684
  334    HB   THR  16           HB       THR  16   3.601  -3.292  -5.648
  335    HG1  THR  16           1HG      THR  16   1.667  -3.516  -7.366
  336   HG21  THR  16          3HG2      THR  16   1.898  -5.728  -6.125
  337   HG22  THR  16          1HG2      THR  16   3.576  -5.701  -5.591
  338   HG23  THR  16          2HG2      THR  16   3.155  -5.147  -7.216
  339    H    LYS  17           H        LYS  17   3.987  -3.002  -3.023
  340    HA   LYS  17           HA       LYS  17   2.887  -0.842  -1.509
  341    HB2  LYS  17           2HB      LYS  17   5.146  -2.095  -1.351
  342    HB3  LYS  17           1HB      LYS  17   5.715  -0.922  -2.522
  343    HG2  LYS  17           2HG      LYS  17   6.394  -0.145  -0.446
  344    HG3  LYS  17           1HG      LYS  17   4.992   0.860  -0.860
  345    HD2  LYS  17           2HD      LYS  17   4.773   0.254   1.445
  346    HD3  LYS  17           1HD      LYS  17   3.614  -0.737   0.559
  347    HE2  LYS  17           2HE      LYS  17   4.762  -2.115   2.180
  348    HE3  LYS  17           1HE      LYS  17   5.272  -2.609   0.573
  349    HZ1  LYS  17           3HZ      LYS  17   7.240  -0.915   1.089
  350    HZ2  LYS  17           1HZ      LYS  17   7.276  -2.475   1.735
  351    HZ3  LYS  17           2HZ      LYS  17   6.764  -1.204   2.661
  352    H    ARG  18           H        ARG  18   4.247  -1.143  -4.659
  353    HA   ARG  18           HA       ARG  18   4.401   1.528  -5.502
  354    HB2  ARG  18           2HB      ARG  18   3.768  -0.929  -7.153
  355    HB3  ARG  18           1HB      ARG  18   4.420   0.588  -7.749
  356    HG2  ARG  18           2HG      ARG  18   6.490   0.203  -6.522
  357    HG3  ARG  18           1HG      ARG  18   5.834  -1.292  -5.856
  358    HD2  ARG  18           2HD      ARG  18   6.351  -0.728  -8.788
  359    HD3  ARG  18           1HD      ARG  18   7.347  -1.716  -7.733
  360    HE   ARG  18           HE       ARG  18   5.670  -3.371  -7.701
  361   HH11  ARG  18          1HH1      ARG  18   4.913  -0.729  -9.960
  362   HH12  ARG  18          2HH1      ARG  18   3.755  -1.640 -10.822
  363   HH21  ARG  18          1HH2      ARG  18   4.134  -4.599  -8.933
  364   HH22  ARG  18          2HH2      ARG  18   3.303  -3.885 -10.242
  365    H    SER  19           H        SER  19   1.752  -0.747  -5.250
  366    HA   SER  19           HA       SER  19  -0.061   0.714  -6.858
  367    HB2  SER  19           2HB      SER  19  -0.284  -1.705  -6.617
  368    HB3  SER  19           1HB      SER  19  -0.526  -1.557  -4.890
  369    HG   SER  19           HG       SER  19  -2.321   0.000  -5.831
  370    H    LEU  20           H        LEU  20   0.440   0.288  -3.350
  371    HA   LEU  20           HA       LEU  20  -1.647   2.207  -2.753
  372    HB2  LEU  20           2HB      LEU  20   0.606   1.873  -0.745
  373    HB3  LEU  20           1HB      LEU  20  -1.059   2.264  -0.524
  374    HG   LEU  20           HG       LEU  20  -1.611  -0.139  -1.138
  375   HD11  LEU  20          1HD1      LEU  20   0.100  -1.745  -0.636
  376   HD12  LEU  20          2HD1      LEU  20   1.263  -0.449  -0.380
  377   HD13  LEU  20          3HD1      LEU  20   0.605  -0.741  -1.995
  378   HD21  LEU  20          3HD2      LEU  20  -0.164   0.589   1.382
  379   HD22  LEU  20          1HD2      LEU  20  -1.139  -0.863   1.148
  380   HD23  LEU  20          2HD2      LEU  20  -1.902   0.716   1.052
  381    H    ALA  21           H        ALA  21   1.611   2.410  -3.503
  382    HA   ALA  21           HA       ALA  21   2.062   5.075  -2.776
  383    HB1  ALA  21           1HB      ALA  21   3.895   5.097  -4.341
  384    HB2  ALA  21           2HB      ALA  21   3.248   3.675  -5.158
  385    HB3  ALA  21           3HB      ALA  21   3.848   3.544  -3.505
  386    H    ARG  22           H        ARG  22   0.638   3.796  -5.743
  387    HA   ARG  22           HA       ARG  22   0.480   6.455  -6.836
  388    HB2  ARG  22           2HB      ARG  22  -0.745   5.499  -8.743
  389    HB3  ARG  22           1HB      ARG  22   0.755   4.654  -8.424
  390    HG2  ARG  22           2HG      ARG  22  -0.416   2.800  -7.474
  391    HG3  ARG  22           1HG      ARG  22  -1.948   3.674  -7.544
  392    HD2  ARG  22           2HD      ARG  22  -1.850   3.707  -9.968
  393    HD3  ARG  22           1HD      ARG  22  -0.273   2.928  -9.941
  394    HE   ARG  22           HE       ARG  22  -1.311   0.950  -9.119
  395   HH11  ARG  22          1HH1      ARG  22  -3.657   3.391 -10.210
  396   HH12  ARG  22          2HH1      ARG  22  -4.836   2.265 -10.657
  397   HH21  ARG  22          1HH2      ARG  22  -2.982  -0.595  -9.676
  398   HH22  ARG  22          2HH2      ARG  22  -4.465  -0.063 -10.308
  399    H    PHE  23           H        PHE  23  -1.414   4.696  -4.731
  400    HA   PHE  23           HA       PHE  23  -3.767   6.292  -5.375
  401    HB2  PHE  23           2HB      PHE  23  -3.395   3.985  -3.498
  402    HB3  PHE  23           1HB      PHE  23  -4.832   4.995  -3.426
  403    HD1  PHE  23           1HD      PHE  23  -6.357   5.080  -5.386
  404    HD2  PHE  23           2HD      PHE  23  -3.117   2.350  -5.188
  405    HE1  PHE  23           1HE      PHE  23  -7.376   3.738  -7.177
  406    HE2  PHE  23           2HE      PHE  23  -4.124   1.009  -6.975
  407    HZ   PHE  23           HZ       PHE  23  -6.253   1.701  -7.973
  408    H    CYS  24           H        CYS  24  -1.587   5.733  -2.797
  409    HA   CYS  24           HA       CYS  24  -2.509   7.719  -1.026
  410    HB2  CYS  24           2HB      CYS  24  -0.986   6.001  -0.242
  411    HB3  CYS  24           1HB      CYS  24   0.243   6.501  -1.388
  412    HN1  NH2  25           HT1      CYS  24   0.534   7.999  -2.882
  413    HN2  NH2  25           HT2      CYS  24   0.324   9.667  -3.260
  Start of MODEL   15
    1    H1   ASP   1           1HT      ASP   1  12.125   1.129   1.894
    2    H2   ASP   1           2HT      ASP   1  12.984  -0.317   1.830
    3    H3   ASP   1           3HT      ASP   1  11.992   0.017   3.171
    4    HA   ASP   1           HA       ASP   1  10.956  -1.584   1.705
    5    HB2  ASP   1           2HB      ASP   1   9.643   1.125   1.525
    6    HB3  ASP   1           1HB      ASP   1   8.852  -0.425   1.341
    7    H    SER   2           H        SER   2  10.171  -2.083  -0.334
    8    HA   SER   2           HA       SER   2  11.443  -0.532  -2.487
    9    HB2  SER   2           2HB      SER   2  10.240  -3.274  -2.701
   10    HB3  SER   2           1HB      SER   2  11.352  -2.488  -3.802
   11    HG   SER   2           HG       SER   2  12.738  -2.446  -1.726
   12    H    TRP   3           H        TRP   3  10.159   0.184  -4.121
   13    HA   TRP   3           HA       TRP   3   7.317   0.186  -3.515
   14    HB2  TRP   3           2HB      TRP   3   8.769   1.855  -5.576
   15    HB3  TRP   3           1HB      TRP   3   7.090   2.028  -5.092
   16    HD1  TRP   3           HD       TRP   3   9.655   4.179  -4.838
   17    HE1  TRP   3           1HE      TRP   3   9.954   5.367  -2.595
   18    HE3  TRP   3           3HE      TRP   3   6.991   0.999  -1.818
   19    HZ2  TRP   3           2HZ      TRP   3   9.210   5.021   0.080
   20    HZ3  TRP   3           3HZ      TRP   3   6.853   1.483   0.529
   21    HH2  TRP   3           HH       TRP   3   7.937   3.468   1.499
   22    H    MET   4           H        MET   4   9.511  -0.538  -6.174
   23    HA   MET   4           HA       MET   4   7.411  -1.151  -7.980
   24    HB2  MET   4           2HB      MET   4   9.752  -0.402  -8.588
   25    HB3  MET   4           1HB      MET   4  10.290  -2.034  -8.239
   26    HG2  MET   4           2HG      MET   4   8.212  -1.345 -10.325
   27    HG3  MET   4           1HG      MET   4   9.925  -1.500 -10.667
   28    HE1  MET   4           3HE      MET   4  11.234  -3.779 -10.663
   29    HE2  MET   4           1HE      MET   4  10.548  -5.309 -10.110
   30    HE3  MET   4           2HE      MET   4  10.808  -3.996  -8.964
   31    H    GLU   5           H        GLU   5   9.595  -3.263  -6.083
   32    HA   GLU   5           HA       GLU   5   7.553  -5.280  -6.551
   33    HB2  GLU   5           2HB      GLU   5   9.629  -5.786  -7.851
   34    HB3  GLU   5           1HB      GLU   5  10.487  -5.926  -6.319
   35    HG2  GLU   5           2HG      GLU   5   8.803  -7.676  -5.660
   36    HG3  GLU   5           1HG      GLU   5   8.234  -7.639  -7.322
   37    H    GLU   6           H        GLU   6   6.615  -4.691  -4.672
   38    HA   GLU   6           HA       GLU   6   7.530  -6.310  -2.516
   39    HB2  GLU   6           2HB      GLU   6   8.246  -3.665  -2.162
   40    HB3  GLU   6           1HB      GLU   6   6.533  -3.657  -1.807
   41    HG2  GLU   6           2HG      GLU   6   6.655  -5.023   0.020
   42    HG3  GLU   6           1HG      GLU   6   8.282  -5.568  -0.364
   43    H    VAL   7           H        VAL   7   5.767  -6.905  -1.414
   44    HA   VAL   7           HA       VAL   7   3.179  -5.935  -2.259
   45    HB   VAL   7           HB       VAL   7   3.540  -7.656  -3.928
   46   HG11  VAL   7          1HG1      VAL   7   4.187  -9.492  -1.644
   47   HG12  VAL   7          2HG1      VAL   7   5.279  -8.942  -2.920
   48   HG13  VAL   7          3HG1      VAL   7   3.922 -10.004  -3.306
   49   HG21  VAL   7          3HG2      VAL   7   1.266  -7.560  -3.051
   50   HG22  VAL   7          1HG2      VAL   7   1.691  -8.698  -1.775
   51   HG23  VAL   7          2HG2      VAL   7   1.689  -9.224  -3.455
   52    H    ILE   8           H        ILE   8   1.784  -5.916  -0.718
   53    HA   ILE   8           HA       ILE   8   2.475  -7.403   1.698
   54    HB   ILE   8           HB       ILE   8   1.638  -5.582   3.065
   55   HG12  ILE   8          2HG1      ILE   8   1.313  -4.111   0.455
   56   HG13  ILE   8          1HG1      ILE   8   0.022  -4.641   1.507
   57   HG21  ILE   8          1HG2      ILE   8   3.451  -3.946   2.715
   58   HG22  ILE   8          2HG2      ILE   8   3.779  -4.674   1.142
   59   HG23  ILE   8          3HG2      ILE   8   4.018  -5.614   2.612
   60   HD11  ILE   8          3HD1      ILE   8   0.406  -2.249   1.741
   61   HD12  ILE   8          1HD1      ILE   8   2.076  -2.556   2.213
   62   HD13  ILE   8          2HD1      ILE   8   0.752  -3.103   3.244
   63    H    LYS   9           H        LYS   9   0.640  -7.553   3.111
   64    HA   LYS   9           HA       LYS   9  -1.916  -7.605   1.745
   65    HB2  LYS   9           2HB      LYS   9  -0.981  -9.883   1.627
   66    HB3  LYS   9           1HB      LYS   9  -0.820  -9.913   3.376
   67    HG2  LYS   9           2HG      LYS   9  -3.265  -9.722   3.589
   68    HG3  LYS   9           1HG      LYS   9  -3.407  -9.733   1.832
   69    HD2  LYS   9           2HD      LYS   9  -2.220 -11.946   3.506
   70    HD3  LYS   9           1HD      LYS   9  -3.849 -11.941   2.835
   71    HE2  LYS   9           2HE      LYS   9  -2.888 -11.832   0.565
   72    HE3  LYS   9           1HE      LYS   9  -1.270 -11.860   1.260
   73    HZ1  LYS   9           3HZ      LYS   9  -1.909 -14.039   0.513
   74    HZ2  LYS   9           1HZ      LYS   9  -3.293 -14.017   1.468
   75    HZ3  LYS   9           2HZ      LYS   9  -1.770 -14.040   2.188
   76    H    LEU  10           H        LEU  10  -2.094  -5.718   2.919
   77    HA   LEU  10           HA       LEU  10  -2.640  -6.009   5.798
   78    HB2  LEU  10           2HB      LEU  10  -1.391  -3.777   4.249
   79    HB3  LEU  10           1HB      LEU  10  -2.374  -3.408   5.630
   80    HG   LEU  10           HG       LEU  10  -0.915  -4.583   7.116
   81   HD11  LEU  10          1HD1      LEU  10   1.207  -5.574   6.391
   82   HD12  LEU  10          2HD1      LEU  10   0.806  -5.192   4.721
   83   HD13  LEU  10          3HD1      LEU  10  -0.149  -6.388   5.600
   84   HD21  LEU  10          3HD2      LEU  10   1.052  -3.180   6.959
   85   HD22  LEU  10          1HD2      LEU  10  -0.402  -2.269   6.579
   86   HD23  LEU  10          2HD2      LEU  10   0.670  -2.801   5.284
   87    H    CYS  11           H        CYS  11  -4.070  -4.103   6.428
   88    HA   CYS  11           HA       CYS  11  -6.275  -3.798   4.531
   89    HB2  CYS  11           2HB      CYS  11  -6.390  -5.083   7.145
   90    HB3  CYS  11           1HB      CYS  11  -7.865  -4.793   6.203
   91    H    GLY  12           H        GLY  12  -7.918  -2.378   5.550
   92    HA2  GLY  12           2HA      GLY  12  -8.575  -0.477   6.685
   93    HA3  GLY  12           1HA      GLY  12  -8.082  -1.430   8.054
   94    H    ARG  13           H        ARG  13  -7.003  -0.374   9.332
   95    HA   ARG  13           HA       ARG  13  -5.754   2.101   8.714
   96    HB2  ARG  13           2HB      ARG  13  -5.735   0.499  11.262
   97    HB3  ARG  13           1HB      ARG  13  -5.042   2.106  11.096
   98    HG2  ARG  13           2HG      ARG  13  -7.948   1.355  10.778
   99    HG3  ARG  13           1HG      ARG  13  -7.230   2.233  12.129
  100    HD2  ARG  13           2HD      ARG  13  -7.412   3.170   9.261
  101    HD3  ARG  13           1HD      ARG  13  -8.360   3.768  10.618
  102    HE   ARG  13           HE       ARG  13  -5.824   4.153  11.411
  103   HH11  ARG  13          1HH1      ARG  13  -7.629   5.157   8.528
  104   HH12  ARG  13          2HH1      ARG  13  -6.712   6.581   8.281
  105   HH21  ARG  13          1HH2      ARG  13  -4.547   6.106  11.033
  106   HH22  ARG  13          2HH2      ARG  13  -4.917   7.118   9.724
  107    H    GLU  14           H        GLU  14  -4.519  -1.191   9.086
  108    HA   GLU  14           HA       GLU  14  -1.759  -0.485   9.349
  109    HB2  GLU  14           2HB      GLU  14  -3.144  -2.943   8.249
  110    HB3  GLU  14           1HB      GLU  14  -1.402  -2.795   8.367
  111    HG2  GLU  14           2HG      GLU  14  -3.286  -2.655  10.696
  112    HG3  GLU  14           1HG      GLU  14  -2.430  -4.106  10.173
  113    H    LEU  15           H        LEU  15  -3.976  -0.868   6.757
  114    HA   LEU  15           HA       LEU  15  -2.146  -0.925   4.607
  115    HB2  LEU  15           2HB      LEU  15  -4.722  -1.400   4.814
  116    HB3  LEU  15           1HB      LEU  15  -4.854   0.296   4.411
  117    HG   LEU  15           HG       LEU  15  -3.559  -0.176   2.327
  118   HD11  LEU  15          1HD1      LEU  15  -3.469  -2.573   1.672
  119   HD12  LEU  15          2HD1      LEU  15  -3.984  -2.976   3.326
  120   HD13  LEU  15          3HD1      LEU  15  -2.438  -2.189   3.053
  121   HD21  LEU  15          3HD2      LEU  15  -6.083  -1.742   2.756
  122   HD22  LEU  15          1HD2      LEU  15  -5.433  -1.234   1.197
  123   HD23  LEU  15          2HD2      LEU  15  -6.001  -0.022   2.354
  124    H    VAL  16           H        VAL  16  -3.962   1.611   6.247
  125    HA   VAL  16           HA       VAL  16  -3.010   3.805   4.673
  126    HB   VAL  16           HB       VAL  16  -4.030   3.853   7.538
  127   HG11  VAL  16          1HG1      VAL  16  -3.929   6.040   5.466
  128   HG12  VAL  16          2HG1      VAL  16  -2.899   5.905   6.893
  129   HG13  VAL  16          3HG1      VAL  16  -4.636   6.161   7.079
  130   HG21  VAL  16          3HG2      VAL  16  -5.578   4.146   4.965
  131   HG22  VAL  16          1HG2      VAL  16  -6.228   4.391   6.586
  132   HG23  VAL  16          2HG2      VAL  16  -5.670   2.793   6.092
  133    H    ARG  17           H        ARG  17  -1.936   2.298   7.654
  134    HA   ARG  17           HA       ARG  17   0.151   4.013   8.350
  135    HB2  ARG  17           2HB      ARG  17  -0.086   1.029   8.659
  136    HB3  ARG  17           1HB      ARG  17   1.199   1.933   9.410
  137    HG2  ARG  17           2HG      ARG  17  -0.535   3.210  10.661
  138    HG3  ARG  17           1HG      ARG  17  -1.746   2.139   9.954
  139    HD2  ARG  17           2HD      ARG  17  -1.083   1.382  12.186
  140    HD3  ARG  17           1HD      ARG  17  -0.646   0.198  10.954
  141    HE   ARG  17           HE       ARG  17   1.426   2.062  11.553
  142   HH11  ARG  17          1HH1      ARG  17   0.049  -1.094  12.528
  143   HH12  ARG  17          2HH1      ARG  17   1.475  -1.568  13.341
  144   HH21  ARG  17          1HH2      ARG  17   3.337   1.325  12.610
  145   HH22  ARG  17          2HH2      ARG  17   3.366  -0.186  13.386
  146    H    ALA  18           H        ALA  18   0.092   1.328   6.149
  147    HA   ALA  18           HA       ALA  18   2.867   1.424   5.463
  148    HB1  ALA  18           1HB      ALA  18   2.285  -0.115   3.649
  149    HB2  ALA  18           2HB      ALA  18   0.572   0.186   3.936
  150    HB3  ALA  18           3HB      ALA  18   1.544  -0.621   5.167
  151    H    GLN  19           H        GLN  19  -0.083   2.660   4.024
  152    HA   GLN  19           HA       GLN  19   0.849   3.789   1.688
  153    HB2  GLN  19           2HB      GLN  19  -1.218   4.629   3.635
  154    HB3  GLN  19           1HB      GLN  19  -1.021   5.543   2.185
  155    HG2  GLN  19           2HG      GLN  19  -1.345   3.213   1.063
  156    HG3  GLN  19           1HG      GLN  19  -2.035   2.783   2.634
  157   HE21  GLN  19          1HE2      GLN  19  -2.345   4.595  -0.204
  158   HE22  GLN  19          2HE2      GLN  19  -3.941   5.194   0.045
  159    H    ILE  20           H        ILE  20   0.336   5.357   4.821
  160    HA   ILE  20           HA       ILE  20   1.473   7.831   4.287
  161    HB   ILE  20           HB       ILE  20   1.227   6.405   6.957
  162   HG12  ILE  20          2HG1      ILE  20  -0.450   8.574   5.673
  163   HG13  ILE  20          1HG1      ILE  20  -0.882   6.873   5.763
  164   HG21  ILE  20          1HG2      ILE  20   1.514   8.606   8.024
  165   HG22  ILE  20          2HG2      ILE  20   1.855   9.325   6.451
  166   HG23  ILE  20          3HG2      ILE  20   2.961   8.134   7.133
  167   HD11  ILE  20          3HD1      ILE  20  -0.510   8.721   8.108
  168   HD12  ILE  20          1HD1      ILE  20  -0.978   7.023   8.185
  169   HD13  ILE  20          2HD1      ILE  20  -2.055   8.201   7.432
  170    H    ALA  21           H        ALA  21   3.033   4.873   5.324
  171    HA   ALA  21           HA       ALA  21   5.571   5.991   5.827
  172    HB1  ALA  21           1HB      ALA  21   6.419   3.699   5.616
  173    HB2  ALA  21           2HB      ALA  21   4.879   3.201   4.909
  174    HB3  ALA  21           3HB      ALA  21   4.944   3.745   6.582
  175    H    ILE  22           H        ILE  22   3.982   4.931   2.898
  176    HA   ILE  22           HA       ILE  22   6.282   5.215   1.199
  177    HB   ILE  22           HB       ILE  22   3.357   5.257   0.376
  178   HG12  ILE  22          2HG1      ILE  22   5.214   2.874   0.532
  179   HG13  ILE  22          1HG1      ILE  22   3.941   3.221   1.696
  180   HG21  ILE  22          1HG2      ILE  22   4.898   6.041  -1.348
  181   HG22  ILE  22          2HG2      ILE  22   4.232   4.469  -1.792
  182   HG23  ILE  22          3HG2      ILE  22   5.873   4.584  -1.160
  183   HD11  ILE  22          3HD1      ILE  22   3.565   2.617  -1.227
  184   HD12  ILE  22          1HD1      ILE  22   2.287   3.019  -0.082
  185   HD13  ILE  22          2HD1      ILE  22   3.221   1.537   0.127
  186    H    CYS  23           H        CYS  23   3.565   7.194   2.206
  187    HA   CYS  23           HA       CYS  23   4.101   9.347   0.401
  188    HB2  CYS  23           2HB      CYS  23   2.327   8.987   2.770
  189    HB3  CYS  23           1HB      CYS  23   2.643  10.609   2.179
  190    H    GLY  24           H        GLY  24   5.186   8.502   3.515
  191    HA2  GLY  24           2HA      GLY  24   6.460  10.991   4.097
  192    HA3  GLY  24           1HA      GLY  24   6.764   9.457   4.908
  193    H    MET  25           H        MET  25   7.237   8.315   2.101
  194    HA   MET  25           HA       MET  25  10.005   9.284   1.843
  195    HB2  MET  25           2HB      MET  25   8.954   6.472   1.534
  196    HB3  MET  25           1HB      MET  25  10.599   6.957   1.142
  197    HG2  MET  25           2HG      MET  25   9.296   7.059   3.846
  198    HG3  MET  25           1HG      MET  25  10.490   5.875   3.312
  199    HE1  MET  25           3HE      MET  25  12.418   8.056   5.958
  200    HE2  MET  25           1HE      MET  25  11.912   6.428   5.509
  201    HE3  MET  25           2HE      MET  25  10.708   7.623   5.995
  202    H    SER  26           H        SER  26   7.720  10.216   0.439
  203    HA   SER  26           HA       SER  26   7.756   9.056  -2.217
  204    HB2  SER  26           2HB      SER  26   6.381  11.521  -1.147
  205    HB3  SER  26           1HB      SER  26   6.146  10.849  -2.763
  206    HG   SER  26           HG       SER  26   5.871   8.971  -0.805
  207    H    THR  27           H        THR  27  10.280  10.037  -1.384
  208    HA   THR  27           HA       THR  27  10.773  12.534  -2.716
  209    HB   THR  27           HB       THR  27  12.810  10.533  -1.754
  210    HG1  THR  27           1HG      THR  27  11.274  12.436  -0.315
  211   HG21  THR  27          3HG2      THR  27  12.817  13.551  -1.931
  212   HG22  THR  27          1HG2      THR  27  13.692  12.454  -2.997
  213   HG23  THR  27          2HG2      THR  27  14.134  12.570  -1.289
  214    H    TRP  28           H        TRP  28  10.590   9.384  -3.449
  215    HA   TRP  28           HA       TRP  28  11.368   9.830  -6.207
  216    HB2  TRP  28           2HB      TRP  28  12.615   7.693  -6.381
  217    HB3  TRP  28           1HB      TRP  28  13.392   8.789  -5.252
  218    HD1  TRP  28           HD       TRP  28  11.667   5.392  -5.446
  219    HE1  TRP  28           1HE      TRP  28  11.986   4.167  -3.206
  220    HE3  TRP  28           3HE      TRP  28  13.713   9.170  -2.713
  221    HZ2  TRP  28           2HZ      TRP  28  12.942   4.713  -0.641
  222    HZ3  TRP  28           3HZ      TRP  28  14.300   8.738  -0.357
  223    HH2  TRP  28           HH       TRP  28  13.922   6.544   0.650
  224    H    SER  29           H        SER  29  10.193   8.613  -7.673
  225    HA   SER  29           HA       SER  29   7.870   7.339  -6.531
  226    HB2  SER  29           2HB      SER  29   7.155   7.505  -9.016
  227    HB3  SER  29           1HB      SER  29   7.248   8.988  -8.064
  228    HG   SER  29           HG       SER  29   9.074   7.969  -9.951
  229    HN1  NH2  30           HT1      SER  29   8.590   5.349  -5.991
  230    HN2  NH2  30           HT2      SER  29   9.211   4.179  -7.105
  231    HA   PCA   1           HA       PCA   1 -14.322   4.890  -5.449
  232    HB2  PCA   1           2HB      PCA   1 -13.618   4.269  -2.728
  233    HB3  PCA   1           1HB      PCA   1 -14.677   5.588  -3.301
  234    HG2  PCA   1           2HG      PCA   1 -15.490   3.266  -1.873
  235    HG3  PCA   1           1HG      PCA   1 -16.576   4.412  -2.732
  236    H    LEU   2           H        LEU   2 -12.156   4.979  -5.832
  237    HA   LEU   2           HA       LEU   2 -10.717   2.494  -6.229
  238    HB2  LEU   2           2HB      LEU   2  -9.679   5.314  -6.338
  239    HB3  LEU   2           1HB      LEU   2  -8.854   3.879  -6.906
  240    HG   LEU   2           HG       LEU   2 -11.325   5.115  -8.104
  241   HD11  LEU   2          1HD1      LEU   2  -9.874   5.544 -10.015
  242   HD12  LEU   2          2HD1      LEU   2  -8.510   4.863  -9.131
  243   HD13  LEU   2          3HD1      LEU   2  -9.277   6.341  -8.559
  244   HD21  LEU   2          3HD2      LEU   2 -11.078   3.404  -9.857
  245   HD22  LEU   2          1HD2      LEU   2 -11.436   2.697  -8.282
  246   HD23  LEU   2          2HD2      LEU   2  -9.793   2.647  -8.917
  247    H    TYR   3           H        TYR   3 -10.594   4.755  -3.659
  248    HA   TYR   3           HA       TYR   3  -8.333   3.354  -2.726
  249    HB2  TYR   3           2HB      TYR   3  -8.640   5.650  -1.966
  250    HB3  TYR   3           1HB      TYR   3 -10.143   5.191  -1.142
  251    HD1  TYR   3           1HD      TYR   3  -6.687   3.982  -1.447
  252    HD2  TYR   3           2HD      TYR   3  -9.977   4.741   1.104
  253    HE1  TYR   3           1HE      TYR   3  -5.445   3.086   0.330
  254    HE2  TYR   3           2HE      TYR   3  -8.727   3.853   2.990
  255    HH   TYR   3           HH       TYR   3  -5.396   3.276   2.813
  256    H    SER   4           H        SER   4 -11.755   3.106  -2.195
  257    HA   SER   4           HA       SER   4 -11.643   1.264  -0.080
  258    HB2  SER   4           2HB      SER   4 -13.675   2.579  -0.770
  259    HB3  SER   4           1HB      SER   4 -13.816   1.540  -2.182
  260    HG   SER   4           HG       SER   4 -13.656   0.337   0.320
  261    H    ALA   5           H        ALA   5 -11.694   0.944  -3.580
  262    HA   ALA   5           HA       ALA   5 -11.804  -1.829  -3.808
  263    HB1  ALA   5           1HB      ALA   5 -12.123  -0.282  -5.688
  264    HB2  ALA   5           2HB      ALA   5 -10.888  -1.487  -6.054
  265    HB3  ALA   5           3HB      ALA   5 -10.417   0.152  -5.614
  266    H    LEU   6           H        LEU   6  -9.024   0.345  -3.464
  267    HA   LEU   6           HA       LEU   6  -6.992  -1.580  -3.643
  268    HB2  LEU   6           2HB      LEU   6  -6.584   0.875  -3.680
  269    HB3  LEU   6           1HB      LEU   6  -7.022   0.964  -1.988
  270    HG   LEU   6           HG       LEU   6  -5.068  -0.513  -1.464
  271   HD11  LEU   6          1HD1      LEU   6  -3.322  -0.760  -3.145
  272   HD12  LEU   6          2HD1      LEU   6  -4.398  -0.059  -4.355
  273   HD13  LEU   6          3HD1      LEU   6  -4.808  -1.595  -3.588
  274   HD21  LEU   6          3HD2      LEU   6  -3.357   1.233  -1.742
  275   HD22  LEU   6          1HD2      LEU   6  -4.891   1.908  -1.198
  276   HD23  LEU   6          2HD2      LEU   6  -4.403   2.071  -2.885
  277    H    ALA   7           H        ALA   7  -8.789  -0.326  -0.886
  278    HA   ALA   7           HA       ALA   7  -7.523  -1.724   1.157
  279    HB1  ALA   7           1HB      ALA   7 -10.418  -0.906   1.041
  280    HB2  ALA   7           2HB      ALA   7  -9.078   0.128   1.534
  281    HB3  ALA   7           3HB      ALA   7  -9.500  -1.287   2.499
  282    H    ASN   8           H        ASN   8 -10.343  -2.649  -0.756
  283    HA   ASN   8           HA       ASN   8 -10.739  -5.168   0.481
  284    HB2  ASN   8           2HB      ASN   8 -11.433  -4.301  -2.340
  285    HB3  ASN   8           1HB      ASN   8 -11.886  -5.849  -1.656
  286   HD21  ASN   8          1HD2      ASN   8 -13.525  -5.907  -0.073
  287   HD22  ASN   8          2HD2      ASN   8 -14.560  -4.540   0.149
  288    H    LYS   9           H        LYS   9  -8.952  -4.196  -2.373
  289    HA   LYS   9           HA       LYS   9  -8.258  -6.757  -3.270
  290    HB2  LYS   9           2HB      LYS   9  -8.162  -4.543  -4.524
  291    HB3  LYS   9           1HB      LYS   9  -6.668  -4.234  -3.671
  292    HG2  LYS   9           2HG      LYS   9  -6.182  -5.025  -5.874
  293    HG3  LYS   9           1HG      LYS   9  -5.698  -6.253  -4.698
  294    HD2  LYS   9           2HD      LYS   9  -7.648  -7.553  -5.183
  295    HD3  LYS   9           1HD      LYS   9  -8.312  -6.272  -6.200
  296    HE2  LYS   9           2HE      LYS   9  -5.771  -7.807  -6.731
  297    HE3  LYS   9           1HE      LYS   9  -7.325  -8.106  -7.511
  298    HZ1  LYS   9           3HZ      LYS   9  -5.931  -6.783  -8.922
  299    HZ2  LYS   9           1HZ      LYS   9  -5.711  -5.611  -7.736
  300    HZ3  LYS   9           2HZ      LYS   9  -7.228  -5.848  -8.415
  301    H    CYS  10           H        CYS  10  -6.292  -4.476  -1.369
  302    HA   CYS  10           HA       CYS  10  -4.101  -6.255  -1.062
  303    HB2  CYS  10           2HB      CYS  10  -4.955  -4.056   0.819
  304    HB3  CYS  10           1HB      CYS  10  -3.346  -4.744   0.655
  305    H    CYS  11           H        CYS  11  -7.111  -5.878   0.692
  306    HA   CYS  11           HA       CYS  11  -6.143  -7.374   2.915
  307    HB2  CYS  11           2HB      CYS  11  -7.974  -5.562   2.885
  308    HB3  CYS  11           1HB      CYS  11  -9.029  -6.850   2.326
  309    H    HIS  12           H        HIS  12  -7.908  -8.095  -0.051
  310    HA   HIS  12           HA       HIS  12  -8.583 -10.759   0.882
  311    HB2  HIS  12           2HB      HIS  12  -9.061  -9.296  -1.684
  312    HB3  HIS  12           1HB      HIS  12  -9.333 -11.024  -1.574
  313    HD1  HIS  12           1HD      HIS  12 -11.755 -11.595  -0.939
  314    HD2  HIS  12           2HD      HIS  12 -10.581  -7.837   0.383
  315    HE1  HIS  12           1HE      HIS  12 -13.806 -10.534   0.033
  316    H    VAL  13           H        VAL  13  -6.549  -9.390  -1.624
  317    HA   VAL  13           HA       VAL  13  -5.188 -11.987  -1.734
  318    HB   VAL  13           HB       VAL  13  -4.527 -11.370  -4.078
  319   HG11  VAL  13          1HG1      VAL  13  -6.310 -13.021  -3.611
  320   HG12  VAL  13          2HG1      VAL  13  -6.752 -12.064  -5.031
  321   HG13  VAL  13          3HG1      VAL  13  -7.481 -11.710  -3.464
  322   HG21  VAL  13          3HG2      VAL  13  -5.014  -9.003  -4.064
  323   HG22  VAL  13          1HG2      VAL  13  -6.720  -9.326  -3.752
  324   HG23  VAL  13          2HG2      VAL  13  -6.004  -9.792  -5.293
  325    H    GLY  14           H        GLY  14  -4.714  -8.577  -2.140
  326    HA2  GLY  14           2HA      GLY  14  -2.889  -7.718  -0.621
  327    HA3  GLY  14           1HA      GLY  14  -1.874  -8.893  -1.391
  328    H    CYS  15           H        CYS  15  -0.959  -6.473  -1.630
  329    HA   CYS  15           HA       CYS  15  -1.382  -5.871  -4.427
  330    HB2  CYS  15           2HB      CYS  15  -1.689  -3.463  -3.925
  331    HB3  CYS  15           1HB      CYS  15  -3.044  -4.474  -3.448
  332    H    THR  16           H        THR  16   0.236  -4.349  -5.199
  333    HA   THR  16           HA       THR  16   2.694  -4.835  -3.871
  334    HB   THR  16           HB       THR  16   3.649  -3.530  -5.806
  335    HG1  THR  16           1HG      THR  16   1.376  -3.862  -7.314
  336   HG21  THR  16          3HG2      THR  16   1.951  -5.938  -6.481
  337   HG22  THR  16          1HG2      THR  16   3.585  -5.981  -5.819
  338   HG23  THR  16          2HG2      THR  16   3.306  -5.341  -7.439
  339    H    LYS  17           H        LYS  17   4.089  -3.173  -3.429
  340    HA   LYS  17           HA       LYS  17   2.930  -1.089  -1.839
  341    HB2  LYS  17           2HB      LYS  17   5.224  -2.372  -1.854
  342    HB3  LYS  17           1HB      LYS  17   5.818  -0.987  -2.732
  343    HG2  LYS  17           2HG      LYS  17   6.296  -0.793  -0.458
  344    HG3  LYS  17           1HG      LYS  17   5.040   0.419  -0.809
  345    HD2  LYS  17           2HD      LYS  17   3.360  -1.081   0.155
  346    HD3  LYS  17           1HD      LYS  17   4.586  -2.327   0.391
  347    HE2  LYS  17           2HE      LYS  17   4.487   0.373   1.732
  348    HE3  LYS  17           1HE      LYS  17   4.101  -1.180   2.473
  349    HZ1  LYS  17           3HZ      LYS  17   6.324  -0.725   3.109
  350    HZ2  LYS  17           1HZ      LYS  17   6.749  -0.219   1.558
  351    HZ3  LYS  17           2HZ      LYS  17   6.471  -1.822   1.838
  352    H    ARG  18           H        ARG  18   4.152  -1.227  -5.146
  353    HA   ARG  18           HA       ARG  18   3.924   1.486  -5.864
  354    HB2  ARG  18           2HB      ARG  18   3.638  -1.058  -7.399
  355    HB3  ARG  18           1HB      ARG  18   3.134   0.437  -8.156
  356    HG2  ARG  18           2HG      ARG  18   5.391   1.331  -7.822
  357    HG3  ARG  18           1HG      ARG  18   5.868  -0.214  -7.110
  358    HD2  ARG  18           2HD      ARG  18   4.756   0.120  -9.898
  359    HD3  ARG  18           1HD      ARG  18   6.472   0.025  -9.520
  360    HE   ARG  18           HE       ARG  18   5.697  -2.245  -8.463
  361   HH11  ARG  18          1HH1      ARG  18   4.566  -0.874 -11.540
  362   HH12  ARG  18          2HH1      ARG  18   4.398  -2.387 -12.290
  363   HH21  ARG  18          1HH2      ARG  18   5.503  -4.309  -9.537
  364   HH22  ARG  18          2HH2      ARG  18   4.941  -4.357 -11.144
  365    H    SER  19           H        SER  19   1.532  -0.942  -5.331
  366    HA   SER  19           HA       SER  19  -0.576   0.309  -6.723
  367    HB2  SER  19           2HB      SER  19  -0.459  -2.116  -6.301
  368    HB3  SER  19           1HB      SER  19  -0.609  -1.840  -4.576
  369    HG   SER  19           HG       SER  19  -2.503  -1.030  -6.509
  370    H    LEU  20           H        LEU  20   0.485   0.189  -3.338
  371    HA   LEU  20           HA       LEU  20  -1.548   2.202  -2.623
  372    HB2  LEU  20           2HB      LEU  20   0.812   1.808  -0.746
  373    HB3  LEU  20           1HB      LEU  20  -0.781   2.311  -0.513
  374    HG   LEU  20           HG       LEU  20  -1.642   0.032  -0.864
  375   HD11  LEU  20          1HD1      LEU  20   1.257  -0.699  -0.655
  376   HD12  LEU  20          2HD1      LEU  20   0.208  -0.954  -2.057
  377   HD13  LEU  20          3HD1      LEU  20  -0.093  -1.828  -0.556
  378   HD21  LEU  20          3HD2      LEU  20   0.325   0.391   1.358
  379   HD22  LEU  20          1HD2      LEU  20  -1.041  -0.718   1.360
  380   HD23  LEU  20          2HD2      LEU  20  -1.330   1.027   1.353
  381    H    ALA  21           H        ALA  21   1.672   2.194  -3.562
  382    HA   ALA  21           HA       ALA  21   2.366   4.835  -2.872
  383    HB1  ALA  21           1HB      ALA  21   4.175   4.725  -4.446
  384    HB2  ALA  21           2HB      ALA  21   3.387   3.416  -5.316
  385    HB3  ALA  21           3HB      ALA  21   3.996   3.141  -3.681
  386    H    ARG  22           H        ARG  22   0.588   3.717  -5.642
  387    HA   ARG  22           HA       ARG  22   0.675   6.255  -6.951
  388    HB2  ARG  22           2HB      ARG  22  -1.003   5.312  -8.509
  389    HB3  ARG  22           1HB      ARG  22   0.405   4.287  -8.316
  390    HG2  ARG  22           2HG      ARG  22  -0.964   2.957  -6.656
  391    HG3  ARG  22           1HG      ARG  22  -2.360   3.874  -7.229
  392    HD2  ARG  22           2HD      ARG  22  -2.157   1.741  -8.407
  393    HD3  ARG  22           1HD      ARG  22  -1.935   3.103  -9.507
  394    HE   ARG  22           HE       ARG  22   0.547   2.261  -8.468
  395   HH11  ARG  22          1HH1      ARG  22  -1.888   1.182 -10.828
  396   HH12  ARG  22          2HH1      ARG  22  -0.767   0.415 -11.838
  397   HH21  ARG  22          1HH2      ARG  22   2.078   1.239  -9.894
  398   HH22  ARG  22          2HH2      ARG  22   1.524   0.425 -11.293
  399    H    PHE  23           H        PHE  23  -1.179   5.010  -4.435
  400    HA   PHE  23           HA       PHE  23  -3.176   7.142  -4.678
  401    HB2  PHE  23           2HB      PHE  23  -2.992   4.764  -2.805
  402    HB3  PHE  23           1HB      PHE  23  -4.200   6.029  -2.642
  403    HD1  PHE  23           2HD      PHE  23  -3.026   3.271  -4.784
  404    HD2  PHE  23           1HD      PHE  23  -6.116   6.069  -4.001
  405    HE1  PHE  23           2HE      PHE  23  -4.501   2.062  -6.335
  406    HE2  PHE  23           1HE      PHE  23  -7.597   4.878  -5.540
  407    HZ   PHE  23           HZ       PHE  23  -6.795   2.864  -6.718
  408    H    CYS  24           H        CYS  24  -1.033   5.740  -2.374
  409    HA   CYS  24           HA       CYS  24   0.002   8.293  -1.544
  410    HB2  CYS  24           2HB      CYS  24  -1.932   8.151  -0.051
  411    HB3  CYS  24           1HB      CYS  24  -1.483   6.518   0.420
  412    HN1  NH2  25           HT1      CYS  24   2.005   7.698  -2.060
  413    HN2  NH2  25           HT2      CYS  24   2.809   6.281  -1.485
  Start of MODEL   16
    1    H1   ASP   1           1HT      ASP   1   9.124  -2.686   1.317
    2    H2   ASP   1           2HT      ASP   1   8.941  -1.016   1.152
    3    H3   ASP   1           3HT      ASP   1   9.021  -1.727   2.702
    4    HA   ASP   1           HA       ASP   1  11.044  -0.612   2.090
    5    HB2  ASP   1           2HB      ASP   1  11.138  -3.605   2.408
    6    HB3  ASP   1           1HB      ASP   1  12.559  -2.570   2.564
    7    H    SER   2           H        SER   2  10.233  -3.279  -0.054
    8    HA   SER   2           HA       SER   2  12.158  -2.268  -1.972
    9    HB2  SER   2           2HB      SER   2   9.994  -4.199  -2.502
   10    HB3  SER   2           1HB      SER   2  11.583  -4.150  -3.225
   11    HG   SER   2           HG       SER   2  12.059  -4.482  -0.688
   12    H    TRP   3           H        TRP   3  11.511  -0.751  -3.235
   13    HA   TRP   3           HA       TRP   3   8.738   0.099  -3.034
   14    HB2  TRP   3           2HB      TRP   3  11.078   1.718  -4.016
   15    HB3  TRP   3           1HB      TRP   3   9.438   2.314  -3.754
   16    HD1  TRP   3           HD       TRP   3  12.623   2.235  -2.068
   17    HE1  TRP   3           1HE      TRP   3  12.391   2.547   0.479
   18    HE3  TRP   3           3HE      TRP   3   7.612   1.369  -1.575
   19    HZ2  TRP   3           2HZ      TRP   3  10.389   2.433   2.426
   20    HZ3  TRP   3           3HZ      TRP   3   6.632   1.463   0.673
   21    HH2  TRP   3           HH       TRP   3   7.985   1.990   2.629
   22    H    MET   4           H        MET   4  10.911  -1.083  -5.408
   23    HA   MET   4           HA       MET   4   9.182  -0.250  -7.567
   24    HB2  MET   4           2HB      MET   4  11.580  -2.096  -7.602
   25    HB3  MET   4           1HB      MET   4  10.667  -1.630  -9.022
   26    HG2  MET   4           2HG      MET   4  11.267   0.706  -8.653
   27    HG3  MET   4           1HG      MET   4  12.181   0.243  -7.223
   28    HE1  MET   4           3HE      MET   4  13.619  -2.465  -8.120
   29    HE2  MET   4           1HE      MET   4  14.431  -1.147  -7.273
   30    HE3  MET   4           2HE      MET   4  15.138  -1.821  -8.739
   31    H    GLU   5           H        GLU   5   9.979  -3.286  -5.945
   32    HA   GLU   5           HA       GLU   5   7.375  -4.227  -6.834
   33    HB2  GLU   5           2HB      GLU   5   8.999  -5.220  -8.356
   34    HB3  GLU   5           1HB      GLU   5   9.922  -5.843  -6.999
   35    HG2  GLU   5           2HG      GLU   5   8.069  -7.282  -6.377
   36    HG3  GLU   5           1HG      GLU   5   7.103  -6.625  -7.695
   37    H    GLU   6           H        GLU   6   6.260  -4.392  -5.001
   38    HA   GLU   6           HA       GLU   6   7.116  -6.322  -3.067
   39    HB2  GLU   6           2HB      GLU   6   7.894  -3.808  -2.305
   40    HB3  GLU   6           1HB      GLU   6   6.184  -3.773  -1.981
   41    HG2  GLU   6           2HG      GLU   6   6.205  -5.458  -0.398
   42    HG3  GLU   6           1HG      GLU   6   7.853  -5.930  -0.794
   43    H    VAL   7           H        VAL   7   5.392  -7.002  -1.875
   44    HA   VAL   7           HA       VAL   7   2.747  -5.991  -2.460
   45    HB   VAL   7           HB       VAL   7   3.173  -7.668  -4.258
   46   HG11  VAL   7          1HG1      VAL   7   3.580  -9.636  -2.031
   47   HG12  VAL   7          2HG1      VAL   7   4.764  -9.107  -3.231
   48   HG13  VAL   7          3HG1      VAL   7   3.365 -10.056  -3.729
   49   HG21  VAL   7          3HG2      VAL   7   1.152  -8.615  -2.233
   50   HG22  VAL   7          1HG2      VAL   7   1.199  -9.091  -3.931
   51   HG23  VAL   7          2HG2      VAL   7   0.888  -7.410  -3.492
   52    H    ILE   8           H        ILE   8   1.341  -6.367  -0.788
   53    HA   ILE   8           HA       ILE   8   2.197  -8.075   1.410
   54    HB   ILE   8           HB       ILE   8   1.830  -6.432   3.137
   55   HG12  ILE   8          2HG1      ILE   8   0.079  -5.032   2.082
   56   HG13  ILE   8          1HG1      ILE   8   1.356  -4.051   2.777
   57   HG21  ILE   8          1HG2      ILE   8   3.680  -4.860   2.839
   58   HG22  ILE   8          2HG2      ILE   8   3.755  -5.310   1.137
   59   HG23  ILE   8          3HG2      ILE   8   4.085  -6.515   2.380
   60   HD11  ILE   8          3HD1      ILE   8   0.926  -4.660  -0.136
   61   HD12  ILE   8          1HD1      ILE   8   2.276  -3.734   0.523
   62   HD13  ILE   8          2HD1      ILE   8   0.628  -3.131   0.694
   63    H    LYS   9           H        LYS   9   0.343  -8.168   3.067
   64    HA   LYS   9           HA       LYS   9  -2.225  -7.818   1.715
   65    HB2  LYS   9           2HB      LYS   9  -1.568 -10.217   1.707
   66    HB3  LYS   9           1HB      LYS   9  -1.384 -10.164   3.450
   67    HG2  LYS   9           2HG      LYS   9  -3.789  -9.695   3.673
   68    HG3  LYS   9           1HG      LYS   9  -3.958  -9.800   1.919
   69    HD2  LYS   9           2HD      LYS   9  -3.178 -12.121   1.986
   70    HD3  LYS   9           1HD      LYS   9  -2.991 -12.010   3.734
   71    HE2  LYS   9           2HE      LYS   9  -5.581 -11.720   2.210
   72    HE3  LYS   9           1HE      LYS   9  -5.087 -13.145   3.113
   73    HZ1  LYS   9           3HZ      LYS   9  -6.583 -11.833   4.452
   74    HZ2  LYS   9           1HZ      LYS   9  -5.663 -10.453   4.216
   75    HZ3  LYS   9           2HZ      LYS   9  -5.056 -11.709   5.130
   76    H    LEU  10           H        LEU  10  -2.531  -5.898   2.800
   77    HA   LEU  10           HA       LEU  10  -2.828  -6.073   5.731
   78    HB2  LEU  10           2HB      LEU  10  -1.698  -3.881   4.043
   79    HB3  LEU  10           1HB      LEU  10  -2.527  -3.491   5.508
   80    HG   LEU  10           HG       LEU  10  -0.944  -4.607   6.863
   81   HD11  LEU  10          1HD1      LEU  10   1.092  -5.679   5.944
   82   HD12  LEU  10          2HD1      LEU  10   0.442  -5.455   4.317
   83   HD13  LEU  10          3HD1      LEU  10  -0.378  -6.524   5.454
   84   HD21  LEU  10          3HD2      LEU  10  -0.383  -2.348   6.170
   85   HD22  LEU  10          1HD2      LEU  10   0.482  -2.982   4.775
   86   HD23  LEU  10          2HD2      LEU  10   1.078  -3.309   6.402
   87    H    CYS  11           H        CYS  11  -4.186  -4.219   6.495
   88    HA   CYS  11           HA       CYS  11  -6.427  -3.580   4.725
   89    HB2  CYS  11           2HB      CYS  11  -6.977  -4.870   7.382
   90    HB3  CYS  11           1HB      CYS  11  -8.107  -4.487   6.096
   91    H    GLY  12           H        GLY  12  -7.810  -1.950   5.678
   92    HA2  GLY  12           2HA      GLY  12  -8.275  -0.014   6.839
   93    HA3  GLY  12           1HA      GLY  12  -7.942  -1.029   8.212
   94    H    ARG  13           H        ARG  13  -6.761  -0.172   9.526
   95    HA   ARG  13           HA       ARG  13  -5.306   2.199   9.321
   96    HB2  ARG  13           2HB      ARG  13  -6.189   1.189  11.419
   97    HB3  ARG  13           1HB      ARG  13  -4.906  -0.006  11.339
   98    HG2  ARG  13           2HG      ARG  13  -3.254   1.782  11.534
   99    HG3  ARG  13           1HG      ARG  13  -4.562   2.963  11.637
  100    HD2  ARG  13           2HD      ARG  13  -5.412   1.683  13.631
  101    HD3  ARG  13           1HD      ARG  13  -3.910   0.758  13.582
  102    HE   ARG  13           HE       ARG  13  -3.396   3.511  13.519
  103   HH11  ARG  13          1HH1      ARG  13  -4.197   0.924  15.818
  104   HH12  ARG  13          2HH1      ARG  13  -3.660   1.794  17.168
  105   HH21  ARG  13          1HH2      ARG  13  -2.702   4.697  15.370
  106   HH22  ARG  13          2HH2      ARG  13  -2.803   4.005  16.917
  107    H    GLU  14           H        GLU  14  -4.274  -1.154   8.917
  108    HA   GLU  14           HA       GLU  14  -1.500  -0.578   8.992
  109    HB2  GLU  14           2HB      GLU  14  -3.010  -2.888   7.794
  110    HB3  GLU  14           1HB      GLU  14  -1.265  -2.809   7.962
  111    HG2  GLU  14           2HG      GLU  14  -3.301  -2.839  10.172
  112    HG3  GLU  14           1HG      GLU  14  -2.202  -4.144   9.735
  113    H    LEU  15           H        LEU  15  -3.907  -0.739   6.490
  114    HA   LEU  15           HA       LEU  15  -2.213  -0.439   4.229
  115    HB2  LEU  15           2HB      LEU  15  -5.020   0.580   4.635
  116    HB3  LEU  15           1HB      LEU  15  -4.183   0.567   3.100
  117    HG   LEU  15           HG       LEU  15  -4.864  -1.895   4.686
  118   HD11  LEU  15          1HD1      LEU  15  -6.230  -0.648   2.307
  119   HD12  LEU  15          2HD1      LEU  15  -6.874  -0.787   3.952
  120   HD13  LEU  15          3HD1      LEU  15  -6.591  -2.235   2.996
  121   HD21  LEU  15          3HD2      LEU  15  -4.343  -3.061   2.683
  122   HD22  LEU  15          1HD2      LEU  15  -2.941  -2.132   3.195
  123   HD23  LEU  15          2HD2      LEU  15  -3.933  -1.559   1.841
  124    H    VAL  16           H        VAL  16  -3.763   1.886   6.354
  125    HA   VAL  16           HA       VAL  16  -2.862   4.227   4.991
  126    HB   VAL  16           HB       VAL  16  -3.592   3.916   7.931
  127   HG11  VAL  16          1HG1      VAL  16  -4.094   6.305   7.876
  128   HG12  VAL  16          2HG1      VAL  16  -3.536   6.389   6.203
  129   HG13  VAL  16          3HG1      VAL  16  -2.401   5.992   7.496
  130   HG21  VAL  16          3HG2      VAL  16  -5.831   4.693   7.294
  131   HG22  VAL  16          1HG2      VAL  16  -5.417   3.167   6.512
  132   HG23  VAL  16          2HG2      VAL  16  -5.347   4.674   5.599
  133    H    ARG  17           H        ARG  17  -1.636   2.398   7.721
  134    HA   ARG  17           HA       ARG  17   0.644   3.892   8.249
  135    HB2  ARG  17           2HB      ARG  17   0.007   0.993   8.608
  136    HB3  ARG  17           1HB      ARG  17   1.596   1.602   9.027
  137    HG2  ARG  17           2HG      ARG  17   0.571   3.178  10.594
  138    HG3  ARG  17           1HG      ARG  17  -1.020   2.557  10.157
  139    HD2  ARG  17           2HD      ARG  17  -0.582   0.457  11.119
  140    HD3  ARG  17           1HD      ARG  17   1.153   0.775  11.206
  141    HE   ARG  17           HE       ARG  17   0.280   2.687  12.728
  142   HH11  ARG  17          1HH1      ARG  17  -0.970  -0.670  12.745
  143   HH12  ARG  17          2HH1      ARG  17  -1.127  -0.705  14.442
  144   HH21  ARG  17          1HH2      ARG  17   0.011   2.578  15.034
  145   HH22  ARG  17          2HH2      ARG  17  -0.576   1.145  15.752
  146    H    ALA  18           H        ALA  18   0.198   1.301   5.985
  147    HA   ALA  18           HA       ALA  18   2.860   1.245   5.037
  148    HB1  ALA  18           1HB      ALA  18   1.323  -0.627   4.687
  149    HB2  ALA  18           2HB      ALA  18   1.977  -0.056   3.150
  150    HB3  ALA  18           3HB      ALA  18   0.336   0.378   3.628
  151    H    GLN  19           H        GLN  19  -0.045   2.821   3.841
  152    HA   GLN  19           HA       GLN  19   0.927   4.075   1.574
  153    HB2  GLN  19           2HB      GLN  19  -1.227   4.590   3.541
  154    HB3  GLN  19           1HB      GLN  19  -1.005   5.793   2.307
  155    HG2  GLN  19           2HG      GLN  19  -1.379   4.089   0.597
  156    HG3  GLN  19           1HG      GLN  19  -1.440   2.835   1.836
  157   HE21  GLN  19          1HE2      GLN  19  -3.354   3.452  -0.174
  158   HE22  GLN  19          2HE2      GLN  19  -4.833   3.856   0.611
  159    H    ILE  20           H        ILE  20   0.564   5.457   4.812
  160    HA   ILE  20           HA       ILE  20   1.904   7.881   4.367
  161    HB   ILE  20           HB       ILE  20   1.581   6.345   6.967
  162   HG12  ILE  20          2HG1      ILE  20  -0.557   6.937   5.954
  163   HG13  ILE  20          1HG1      ILE  20  -0.291   7.886   7.407
  164   HG21  ILE  20          1HG2      ILE  20   2.369   9.234   6.607
  165   HG22  ILE  20          2HG2      ILE  20   3.395   7.940   7.223
  166   HG23  ILE  20          3HG2      ILE  20   1.986   8.461   8.145
  167   HD11  ILE  20          3HD1      ILE  20   0.032   8.841   4.563
  168   HD12  ILE  20          1HD1      ILE  20   0.358   9.802   6.008
  169   HD13  ILE  20          2HD1      ILE  20  -1.278   9.242   5.671
  170    H    ALA  21           H        ALA  21   3.184   4.720   5.255
  171    HA   ALA  21           HA       ALA  21   5.823   5.510   5.844
  172    HB1  ALA  21           1HB      ALA  21   6.428   3.167   5.386
  173    HB2  ALA  21           2HB      ALA  21   4.831   2.909   4.677
  174    HB3  ALA  21           3HB      ALA  21   4.983   3.282   6.392
  175    H    ILE  22           H        ILE  22   4.204   4.729   2.846
  176    HA   ILE  22           HA       ILE  22   6.520   4.817   1.192
  177    HB   ILE  22           HB       ILE  22   3.628   5.263   0.380
  178   HG12  ILE  22          2HG1      ILE  22   5.238   2.723   0.279
  179   HG13  ILE  22          1HG1      ILE  22   4.097   3.095   1.570
  180   HG21  ILE  22          1HG2      ILE  22   6.054   4.425  -1.218
  181   HG22  ILE  22          2HG2      ILE  22   5.272   6.003  -1.281
  182   HG23  ILE  22          3HG2      ILE  22   4.409   4.569  -1.839
  183   HD11  ILE  22          3HD1      ILE  22   2.308   3.183  -0.099
  184   HD12  ILE  22          1HD1      ILE  22   3.108   1.611  -0.049
  185   HD13  ILE  22          2HD1      ILE  22   3.475   2.746  -1.347
  186    H    CYS  23           H        CYS  23   4.089   7.166   2.162
  187    HA   CYS  23           HA       CYS  23   5.151   9.204   0.469
  188    HB2  CYS  23           2HB      CYS  23   3.143   9.137   2.638
  189    HB3  CYS  23           1HB      CYS  23   3.809  10.688   2.137
  190    H    GLY  24           H        GLY  24   5.881   8.174   3.612
  191    HA2  GLY  24           2HA      GLY  24   7.548  10.455   4.214
  192    HA3  GLY  24           1HA      GLY  24   7.487   8.955   5.133
  193    H    MET  25           H        MET  25   8.031   7.205   2.924
  194    HA   MET  25           HA       MET  25  10.812   7.848   2.356
  195    HB2  MET  25           2HB      MET  25   9.707   5.174   3.268
  196    HB3  MET  25           1HB      MET  25  11.345   5.448   2.702
  197    HG2  MET  25           2HG      MET  25  11.792   6.885   4.594
  198    HG3  MET  25           1HG      MET  25  10.122   6.731   5.133
  199    HE1  MET  25           3HE      MET  25  13.176   3.267   5.141
  200    HE2  MET  25           1HE      MET  25  13.519   4.882   4.533
  201    HE3  MET  25           2HE      MET  25  12.406   3.827   3.658
  202    H    SER  26           H        SER  26   9.645   8.564   0.471
  203    HA   SER  26           HA       SER  26   8.567   6.621  -1.357
  204    HB2  SER  26           2HB      SER  26   9.421   9.455  -1.944
  205    HB3  SER  26           1HB      SER  26   8.262   8.480  -2.848
  206    HG   SER  26           HG       SER  26   7.237   8.397  -0.585
  207    H    THR  27           H        THR  27  11.519   6.775  -0.407
  208    HA   THR  27           HA       THR  27  12.697   6.223  -2.950
  209    HB   THR  27           HB       THR  27  14.747   7.492  -2.150
  210    HG1  THR  27           1HG      THR  27  14.380   8.032  -0.108
  211   HG21  THR  27          3HG2      THR  27  13.948   9.667  -3.005
  212   HG22  THR  27          1HG2      THR  27  12.283   9.111  -2.834
  213   HG23  THR  27          2HG2      THR  27  13.358   8.329  -3.992
  214    H    TRP  28           H        TRP  28  14.173   4.727  -2.783
  215    HA   TRP  28           HA       TRP  28  14.053   2.933  -0.597
  216    HB2  TRP  28           2HB      TRP  28  14.484   2.309  -3.023
  217    HB3  TRP  28           1HB      TRP  28  16.130   2.878  -2.784
  218    HD1  TRP  28           HD       TRP  28  13.748   0.121  -1.662
  219    HE1  TRP  28           1HE      TRP  28  15.136  -1.835  -0.705
  220    HE3  TRP  28           3HE      TRP  28  18.358   2.282  -1.767
  221    HZ2  TRP  28           2HZ      TRP  28  17.827  -2.377  -0.094
  222    HZ3  TRP  28           3HZ      TRP  28  20.282   0.993  -0.985
  223    HH2  TRP  28           HH       TRP  28  20.028  -1.295  -0.162
  224    H    SER  29           H        SER  29  15.099   2.976   1.227
  225    HA   SER  29           HA       SER  29  17.495   4.618   1.450
  226    HB2  SER  29           2HB      SER  29  15.687   3.523   3.614
  227    HB3  SER  29           1HB      SER  29  17.016   4.665   3.838
  228    HG   SER  29           HG       SER  29  15.305   5.495   1.917
  229    HN1  NH2  30           HT1      SER  29  16.413   1.757   3.270
  230    HN2  NH2  30           HT2      SER  29  17.876   0.869   3.071
  231    HA   PCA   1           HA       PCA   1 -14.042   3.959  -6.648
  232    HB2  PCA   1           2HB      PCA   1 -12.616   4.842  -4.314
  233    HB3  PCA   1           1HB      PCA   1 -13.798   5.769  -5.280
  234    HG2  PCA   1           2HG      PCA   1 -14.131   4.575  -2.654
  235    HG3  PCA   1           1HG      PCA   1 -15.318   5.549  -3.587
  236    H    LEU   2           H        LEU   2 -11.612   4.222  -6.773
  237    HA   LEU   2           HA       LEU   2 -10.419   1.673  -6.808
  238    HB2  LEU   2           2HB      LEU   2  -9.157   4.391  -7.152
  239    HB3  LEU   2           1HB      LEU   2  -8.329   2.873  -7.420
  240    HG   LEU   2           HG       LEU   2 -10.709   3.863  -8.997
  241   HD11  LEU   2          1HD1      LEU   2  -9.112   4.129 -10.817
  242   HD12  LEU   2          2HD1      LEU   2  -7.799   3.659  -9.738
  243   HD13  LEU   2          3HD1      LEU   2  -8.693   5.150  -9.440
  244   HD21  LEU   2          3HD2      LEU   2  -8.973   1.415  -9.359
  245   HD22  LEU   2          1HD2      LEU   2 -10.212   1.971 -10.486
  246   HD23  LEU   2          2HD2      LEU   2 -10.671   1.428  -8.877
  247    H    TYR   3           H        TYR   3 -10.231   4.303  -4.544
  248    HA   TYR   3           HA       TYR   3  -8.176   3.346  -2.903
  249    HB2  TYR   3           2HB      TYR   3 -10.600   4.988  -2.339
  250    HB3  TYR   3           1HB      TYR   3  -9.660   4.381  -0.989
  251    HD1  TYR   3           1HD      TYR   3  -7.223   5.033  -0.845
  252    HD2  TYR   3           2HD      TYR   3  -9.912   6.879  -3.563
  253    HE1  TYR   3           1HE      TYR   3  -5.677   6.926  -1.071
  254    HE2  TYR   3           2HE      TYR   3  -8.368   8.775  -3.808
  255    HH   TYR   3           HH       TYR   3  -6.576   9.834  -2.461
  256    H    SER   4           H        SER   4 -11.610   2.614  -2.776
  257    HA   SER   4           HA       SER   4 -11.369   0.767  -0.644
  258    HB2  SER   4           2HB      SER   4 -13.495   1.978  -1.250
  259    HB3  SER   4           1HB      SER   4 -13.614   0.941  -2.666
  260    HG   SER   4           HG       SER   4 -14.689  -0.283  -1.302
  261    H    ALA   5           H        ALA   5 -11.276   0.510  -4.145
  262    HA   ALA   5           HA       ALA   5 -11.398  -2.276  -4.371
  263    HB1  ALA   5           1HB      ALA   5 -10.292  -1.968  -6.547
  264    HB2  ALA   5           2HB      ALA   5  -9.863  -0.321  -6.094
  265    HB3  ALA   5           3HB      ALA   5 -11.559  -0.760  -6.309
  266    H    LEU   6           H        LEU   6  -8.621  -0.095  -4.112
  267    HA   LEU   6           HA       LEU   6  -6.560  -1.974  -3.944
  268    HB2  LEU   6           2HB      LEU   6  -6.156   0.412  -4.227
  269    HB3  LEU   6           1HB      LEU   6  -6.858   0.747  -2.661
  270    HG   LEU   6           HG       LEU   6  -4.971  -0.501  -1.609
  271   HD11  LEU   6          1HD1      LEU   6  -2.972  -0.935  -2.932
  272   HD12  LEU   6          2HD1      LEU   6  -3.851  -0.497  -4.397
  273   HD13  LEU   6          3HD1      LEU   6  -4.341  -1.910  -3.460
  274   HD21  LEU   6          3HD2      LEU   6  -3.317   1.274  -1.936
  275   HD22  LEU   6          1HD2      LEU   6  -4.942   1.931  -1.751
  276   HD23  LEU   6          2HD2      LEU   6  -4.204   1.839  -3.350
  277    H    ALA   7           H        ALA   7  -8.507  -0.492  -1.395
  278    HA   ALA   7           HA       ALA   7  -7.282  -1.676   0.799
  279    HB1  ALA   7           1HB      ALA   7  -9.283  -1.111   2.035
  280    HB2  ALA   7           2HB      ALA   7 -10.181  -0.897   0.532
  281    HB3  ALA   7           3HB      ALA   7  -8.863   0.205   0.936
  282    H    ASN   8           H        ASN   8 -10.185  -2.741  -0.936
  283    HA   ASN   8           HA       ASN   8 -10.490  -5.092   0.594
  284    HB2  ASN   8           2HB      ASN   8 -11.635  -4.318  -2.084
  285    HB3  ASN   8           1HB      ASN   8 -11.930  -5.901  -1.377
  286   HD21  ASN   8          1HD2      ASN   8 -12.590  -2.505  -1.154
  287   HD22  ASN   8          2HD2      ASN   8 -13.902  -2.612  -0.046
  288    H    LYS   9           H        LYS   9  -8.922  -4.534  -2.526
  289    HA   LYS   9           HA       LYS   9  -8.200  -7.180  -3.099
  290    HB2  LYS   9           2HB      LYS   9  -6.875  -4.572  -3.725
  291    HB3  LYS   9           1HB      LYS   9  -6.139  -6.063  -4.233
  292    HG2  LYS   9           2HG      LYS   9  -8.174  -6.549  -5.539
  293    HG3  LYS   9           1HG      LYS   9  -8.814  -4.967  -5.061
  294    HD2  LYS   9           2HD      LYS   9  -6.882  -3.880  -6.082
  295    HD3  LYS   9           1HD      LYS   9  -6.228  -5.452  -6.536
  296    HE2  LYS   9           2HE      LYS   9  -8.821  -4.259  -7.502
  297    HE3  LYS   9           1HE      LYS   9  -7.299  -4.348  -8.396
  298    HZ1  LYS   9           3HZ      LYS   9  -8.871  -6.699  -7.465
  299    HZ2  LYS   9           1HZ      LYS   9  -7.436  -6.757  -8.334
  300    HZ3  LYS   9           2HZ      LYS   9  -8.823  -6.126  -9.046
  301    H    CYS  10           H        CYS  10  -6.440  -4.763  -1.285
  302    HA   CYS  10           HA       CYS  10  -4.194  -6.447  -0.852
  303    HB2  CYS  10           2HB      CYS  10  -4.507  -3.837  -0.681
  304    HB3  CYS  10           1HB      CYS  10  -4.959  -4.220   0.968
  305    H    CYS  11           H        CYS  11  -7.192  -5.904   0.813
  306    HA   CYS  11           HA       CYS  11  -6.317  -7.160   3.201
  307    HB2  CYS  11           2HB      CYS  11  -8.164  -5.402   2.941
  308    HB3  CYS  11           1HB      CYS  11  -9.177  -6.719   2.373
  309    H    HIS  12           H        HIS  12  -7.927  -8.183   0.240
  310    HA   HIS  12           HA       HIS  12  -8.488 -10.783   1.405
  311    HB2  HIS  12           2HB      HIS  12  -9.215  -9.497  -1.178
  312    HB3  HIS  12           1HB      HIS  12  -9.391 -11.232  -0.966
  313    HD1  HIS  12           1HD      HIS  12 -11.551 -11.968   0.149
  314    HD2  HIS  12           2HD      HIS  12 -10.739  -7.943   0.689
  315    HE1  HIS  12           1HE      HIS  12 -13.583 -11.007   1.308
  316    H    VAL  13           H        VAL  13  -6.663  -9.573  -1.354
  317    HA   VAL  13           HA       VAL  13  -5.270 -12.156  -1.348
  318    HB   VAL  13           HB       VAL  13  -4.672 -11.681  -3.728
  319   HG11  VAL  13          1HG1      VAL  13  -7.614 -11.928  -3.039
  320   HG12  VAL  13          2HG1      VAL  13  -6.467 -13.265  -3.145
  321   HG13  VAL  13          3HG1      VAL  13  -6.930 -12.376  -4.600
  322   HG21  VAL  13          3HG2      VAL  13  -6.125 -10.139  -5.023
  323   HG22  VAL  13          1HG2      VAL  13  -5.115  -9.295  -3.848
  324   HG23  VAL  13          2HG2      VAL  13  -6.823  -9.568  -3.507
  325    H    GLY  14           H        GLY  14  -4.810  -8.787  -1.932
  326    HA2  GLY  14           2HA      GLY  14  -2.910  -7.998  -0.384
  327    HA3  GLY  14           1HA      GLY  14  -1.937  -9.023  -1.410
  328    H    CYS  15           H        CYS  15  -1.382  -6.389  -1.259
  329    HA   CYS  15           HA       CYS  15  -2.154  -5.487  -3.935
  330    HB2  CYS  15           2HB      CYS  15  -2.268  -3.202  -3.134
  331    HB3  CYS  15           1HB      CYS  15  -3.471  -4.207  -2.352
  332    H    THR  16           H        THR  16  -0.592  -3.847  -4.709
  333    HA   THR  16           HA       THR  16   2.015  -4.611  -3.767
  334    HB   THR  16           HB       THR  16   2.769  -3.505  -5.946
  335    HG1  THR  16           1HG      THR  16   0.165  -4.085  -6.842
  336   HG21  THR  16          3HG2      THR  16   1.121  -6.025  -5.931
  337   HG22  THR  16          1HG2      THR  16   2.846  -5.892  -5.622
  338   HG23  THR  16          2HG2      THR  16   2.212  -5.563  -7.239
  339    H    LYS  17           H        LYS  17   3.533  -3.185  -3.363
  340    HA   LYS  17           HA       LYS  17   2.705  -0.959  -1.811
  341    HB2  LYS  17           2HB      LYS  17   4.919  -2.469  -2.083
  342    HB3  LYS  17           1HB      LYS  17   5.601  -0.949  -2.569
  343    HG2  LYS  17           2HG      LYS  17   5.927  -1.198  -0.224
  344    HG3  LYS  17           1HG      LYS  17   4.598  -0.033  -0.374
  345    HD2  LYS  17           2HD      LYS  17   2.992  -1.892  -0.081
  346    HD3  LYS  17           1HD      LYS  17   4.343  -3.001   0.117
  347    HE2  LYS  17           2HE      LYS  17   3.631  -0.696   1.921
  348    HE3  LYS  17           1HE      LYS  17   3.337  -2.397   2.252
  349    HZ1  LYS  17           3HZ      LYS  17   5.899  -2.596   1.968
  350    HZ2  LYS  17           1HZ      LYS  17   5.270  -1.927   3.405
  351    HZ3  LYS  17           2HZ      LYS  17   5.858  -0.915   2.240
  352    H    ARG  18           H        ARG  18   3.900  -1.033  -5.112
  353    HA   ARG  18           HA       ARG  18   4.034   1.791  -5.389
  354    HB2  ARG  18           2HB      ARG  18   3.441  -0.277  -7.489
  355    HB3  ARG  18           1HB      ARG  18   3.838   1.396  -7.814
  356    HG2  ARG  18           2HG      ARG  18   6.060   0.966  -6.767
  357    HG3  ARG  18           1HG      ARG  18   5.615  -0.745  -6.693
  358    HD2  ARG  18           2HD      ARG  18   6.883  -0.337  -8.712
  359    HD3  ARG  18           1HD      ARG  18   5.210  -0.718  -9.126
  360    HE   ARG  18           HE       ARG  18   6.317   1.997  -9.041
  361   HH11  ARG  18          1HH1      ARG  18   4.158  -0.381 -10.607
  362   HH12  ARG  18          2HH1      ARG  18   3.629   0.700 -11.793
  363   HH21  ARG  18          1HH2      ARG  18   5.573   3.444 -10.735
  364   HH22  ARG  18          2HH2      ARG  18   4.453   2.898 -11.886
  365    H    SER  19           H        SER  19   1.450  -0.478  -5.371
  366    HA   SER  19           HA       SER  19  -0.415   1.129  -6.769
  367    HB2  SER  19           2HB      SER  19  -0.485  -1.328  -6.703
  368    HB3  SER  19           1HB      SER  19  -0.864  -1.302  -5.003
  369    HG   SER  19           HG       SER  19  -2.743  -1.491  -6.083
  370    H    LEU  20           H        LEU  20   0.452   0.584  -3.406
  371    HA   LEU  20           HA       LEU  20  -1.617   2.467  -2.575
  372    HB2  LEU  20           2HB      LEU  20   0.692   1.936  -0.657
  373    HB3  LEU  20           1HB      LEU  20  -0.924   2.398  -0.372
  374    HG   LEU  20           HG       LEU  20  -1.664   0.076  -1.096
  375   HD11  LEU  20          1HD1      LEU  20  -0.049  -1.674  -0.764
  376   HD12  LEU  20          2HD1      LEU  20   1.212  -0.472  -0.497
  377   HD13  LEU  20          3HD1      LEU  20   0.449  -0.616  -2.086
  378   HD21  LEU  20          3HD2      LEU  20  -1.772   0.863   1.197
  379   HD22  LEU  20          1HD2      LEU  20  -0.056   0.479   1.397
  380   HD23  LEU  20          2HD2      LEU  20  -1.218  -0.816   1.130
  381    H    ALA  21           H        ALA  21   1.622   2.541  -3.454
  382    HA   ALA  21           HA       ALA  21   2.409   5.082  -2.557
  383    HB1  ALA  21           1HB      ALA  21   3.956   3.399  -3.514
  384    HB2  ALA  21           2HB      ALA  21   4.165   5.011  -4.198
  385    HB3  ALA  21           3HB      ALA  21   3.307   3.774  -5.112
  386    H    ARG  22           H        ARG  22   0.678   4.182  -5.456
  387    HA   ARG  22           HA       ARG  22   0.792   6.799  -6.587
  388    HB2  ARG  22           2HB      ARG  22  -0.938   5.988  -8.185
  389    HB3  ARG  22           1HB      ARG  22   0.503   4.987  -8.103
  390    HG2  ARG  22           2HG      ARG  22  -0.677   3.407  -6.684
  391    HG3  ARG  22           1HG      ARG  22  -2.116   4.417  -6.758
  392    HD2  ARG  22           2HD      ARG  22  -2.332   4.043  -9.105
  393    HD3  ARG  22           1HD      ARG  22  -0.775   3.212  -9.165
  394    HE   ARG  22           HE       ARG  22  -2.252   1.850  -7.329
  395   HH11  ARG  22          1HH1      ARG  22  -2.814   2.674 -10.733
  396   HH12  ARG  22          2HH1      ARG  22  -3.508   1.162 -11.110
  397   HH21  ARG  22          1HH2      ARG  22  -3.194  -0.195  -7.857
  398   HH22  ARG  22          2HH2      ARG  22  -3.744  -0.488  -9.450
  399    H    PHE  23           H        PHE  23  -1.166   5.456  -4.179
  400    HA   PHE  23           HA       PHE  23  -3.108   7.637  -4.503
  401    HB2  PHE  23           2HB      PHE  23  -3.330   5.075  -2.917
  402    HB3  PHE  23           1HB      PHE  23  -4.504   6.378  -2.839
  403    HD1  PHE  23           1HD      PHE  23  -5.777   6.982  -4.920
  404    HD2  PHE  23           2HD      PHE  23  -3.404   3.472  -4.620
  405    HE1  PHE  23           1HE      PHE  23  -6.987   6.007  -6.823
  406    HE2  PHE  23           2HE      PHE  23  -4.605   2.490  -6.524
  407    HZ   PHE  23           HZ       PHE  23  -6.397   3.757  -7.629
  408    H    CYS  24           H        CYS  24  -1.634   5.887  -1.922
  409    HA   CYS  24           HA       CYS  24  -0.967   6.376   0.152
  410    HB2  CYS  24           2HB      CYS  24   0.820   7.526  -1.073
  411    HB3  CYS  24           1HB      CYS  24  -0.137   8.998  -1.105
  412    HN1  NH2  25           HT1      CYS  24  -1.751   9.765  -0.331
  413    HN2  NH2  25           HT2      CYS  24  -3.085   9.787   0.759
  Start of MODEL   17
    1    H1   ASP   1           1HT      ASP   1  12.176  -2.183   3.628
    2    H2   ASP   1           2HT      ASP   1  13.439  -1.835   2.555
    3    H3   ASP   1           3HT      ASP   1  12.750  -3.356   2.560
    4    HA   ASP   1           HA       ASP   1  10.668  -2.448   1.786
    5    HB2  ASP   1           2HB      ASP   1  10.593  -0.115   1.027
    6    HB3  ASP   1           1HB      ASP   1  10.882  -0.201   2.759
    7    H    SER   2           H        SER   2  10.305  -2.543  -0.360
    8    HA   SER   2           HA       SER   2  12.490  -2.033  -2.224
    9    HB2  SER   2           2HB      SER   2  10.484  -4.247  -2.545
   10    HB3  SER   2           1HB      SER   2  11.917  -3.963  -3.499
   11    HG   SER   2           HG       SER   2  11.890  -4.769  -0.782
   12    H    TRP   3           H        TRP   3  11.667  -0.949  -3.973
   13    HA   TRP   3           HA       TRP   3   8.926  -0.095  -3.550
   14    HB2  TRP   3           2HB      TRP   3  11.015   1.247  -5.265
   15    HB3  TRP   3           1HB      TRP   3   9.366   1.819  -5.052
   16    HD1  TRP   3           HD       TRP   3  12.428   3.004  -4.039
   17    HE1  TRP   3           1HE      TRP   3  12.499   3.954  -1.646
   18    HE3  TRP   3           3HE      TRP   3   8.137   0.892  -2.122
   19    HZ2  TRP   3           2HZ      TRP   3  10.977   3.834   0.709
   20    HZ3  TRP   3           3HZ      TRP   3   7.548   1.339   0.159
   21    HH2  TRP   3           HH       TRP   3   8.930   2.796   1.582
   22    H    MET   4           H        MET   4  10.913  -1.367  -6.122
   23    HA   MET   4           HA       MET   4   8.861  -1.120  -8.041
   24    HB2  MET   4           2HB      MET   4  11.348  -2.815  -8.085
   25    HB3  MET   4           1HB      MET   4  10.246  -2.645  -9.441
   26    HG2  MET   4           2HG      MET   4  11.781  -0.415  -8.129
   27    HG3  MET   4           1HG      MET   4  12.175  -1.177  -9.670
   28    HE1  MET   4           3HE      MET   4   9.262  -1.560 -10.999
   29    HE2  MET   4           1HE      MET   4  10.696  -0.975 -11.848
   30    HE3  MET   4           2HE      MET   4   9.189  -0.069 -11.937
   31    H    GLU   5           H        GLU   5   9.915  -3.960  -6.166
   32    HA   GLU   5           HA       GLU   5   7.216  -4.891  -6.623
   33    HB2  GLU   5           2HB      GLU   5   8.682  -6.106  -8.230
   34    HB3  GLU   5           1HB      GLU   5   9.563  -6.768  -6.859
   35    HG2  GLU   5           2HG      GLU   5   7.423  -7.751  -6.037
   36    HG3  GLU   5           1HG      GLU   5   6.667  -7.218  -7.532
   37    H    GLU   6           H        GLU   6   6.785  -4.188  -4.555
   38    HA   GLU   6           HA       GLU   6   7.523  -6.214  -2.595
   39    HB2  GLU   6           2HB      GLU   6   8.423  -3.721  -2.122
   40    HB3  GLU   6           1HB      GLU   6   6.701  -3.480  -1.820
   41    HG2  GLU   6           2HG      GLU   6   6.632  -4.961  -0.026
   42    HG3  GLU   6           1HG      GLU   6   8.259  -5.549  -0.358
   43    H    VAL   7           H        VAL   7   5.799  -6.688  -1.338
   44    HA   VAL   7           HA       VAL   7   3.175  -5.768  -2.164
   45    HB   VAL   7           HB       VAL   7   3.621  -7.489  -3.832
   46   HG11  VAL   7          1HG1      VAL   7   4.044  -9.829  -3.238
   47   HG12  VAL   7          2HG1      VAL   7   4.173  -9.349  -1.544
   48   HG13  VAL   7          3HG1      VAL   7   5.335  -8.744  -2.722
   49   HG21  VAL   7          3HG2      VAL   7   1.748  -9.057  -3.426
   50   HG22  VAL   7          1HG2      VAL   7   1.312  -7.391  -3.043
   51   HG23  VAL   7          2HG2      VAL   7   1.683  -8.518  -1.747
   52    H    ILE   8           H        ILE   8   1.637  -6.024  -0.635
   53    HA   ILE   8           HA       ILE   8   2.381  -7.475   1.798
   54    HB   ILE   8           HB       ILE   8   1.509  -5.685   3.205
   55   HG12  ILE   8          2HG1      ILE   8   1.205  -4.143   0.632
   56   HG13  ILE   8          1HG1      ILE   8  -0.097  -4.738   1.632
   57   HG21  ILE   8          1HG2      ILE   8   3.896  -5.668   2.799
   58   HG22  ILE   8          2HG2      ILE   8   3.297  -4.014   2.927
   59   HG23  ILE   8          3HG2      ILE   8   3.665  -4.697   1.345
   60   HD11  ILE   8          3HD1      ILE   8   0.565  -3.237   3.440
   61   HD12  ILE   8          1HD1      ILE   8   0.208  -2.349   1.959
   62   HD13  ILE   8          2HD1      ILE   8   1.882  -2.620   2.445
   63    H    LYS   9           H        LYS   9   0.445  -7.629   3.207
   64    HA   LYS   9           HA       LYS   9  -2.112  -7.489   1.839
   65    HB2  LYS   9           2HB      LYS   9  -1.259  -9.844   1.563
   66    HB3  LYS   9           1HB      LYS   9  -1.208  -9.985   3.312
   67    HG2  LYS   9           2HG      LYS   9  -3.652  -9.655   3.392
   68    HG3  LYS   9           1HG      LYS   9  -3.683  -9.577   1.630
   69    HD2  LYS   9           2HD      LYS   9  -2.715 -11.848   1.549
   70    HD3  LYS   9           1HD      LYS   9  -2.790 -11.921   3.308
   71    HE2  LYS   9           2HE      LYS   9  -5.139 -11.619   1.433
   72    HE3  LYS   9           1HE      LYS   9  -4.664 -13.097   2.257
   73    HZ1  LYS   9           3HZ      LYS   9  -5.111 -11.961   4.382
   74    HZ2  LYS   9           1HZ      LYS   9  -6.474 -12.033   3.402
   75    HZ3  LYS   9           2HZ      LYS   9  -5.628 -10.598   3.558
   76    H    LEU  10           H        LEU  10  -1.985  -5.668   3.245
   77    HA   LEU  10           HA       LEU  10  -2.629  -6.255   6.058
   78    HB2  LEU  10           2HB      LEU  10  -1.313  -3.899   4.759
   79    HB3  LEU  10           1HB      LEU  10  -2.253  -3.670   6.197
   80    HG   LEU  10           HG       LEU  10  -0.838  -5.069   7.499
   81   HD11  LEU  10          1HD1      LEU  10  -0.191  -6.741   5.807
   82   HD12  LEU  10          2HD1      LEU  10   1.225  -6.082   6.631
   83   HD13  LEU  10          3HD1      LEU  10   0.811  -5.525   5.010
   84   HD21  LEU  10          3HD2      LEU  10   1.239  -3.795   7.456
   85   HD22  LEU  10          1HD2      LEU  10  -0.164  -2.749   7.251
   86   HD23  LEU  10          2HD2      LEU  10   0.826  -3.177   5.858
   87    H    CYS  11           H        CYS  11  -3.988  -4.383   6.918
   88    HA   CYS  11           HA       CYS  11  -6.168  -3.746   5.082
   89    HB2  CYS  11           2HB      CYS  11  -6.314  -5.437   7.434
   90    HB3  CYS  11           1HB      CYS  11  -7.802  -4.854   6.657
   91    H    GLY  12           H        GLY  12  -7.749  -2.447   6.240
   92    HA2  GLY  12           2HA      GLY  12  -8.443  -0.745   7.617
   93    HA3  GLY  12           1HA      GLY  12  -7.764  -1.725   8.894
   94    H    ARG  13           H        ARG  13  -6.663  -0.550  10.106
   95    HA   ARG  13           HA       ARG  13  -5.505   1.931   9.308
   96    HB2  ARG  13           2HB      ARG  13  -5.297   0.412  11.904
   97    HB3  ARG  13           1HB      ARG  13  -4.641   2.017  11.635
   98    HG2  ARG  13           2HG      ARG  13  -7.553   1.280  11.428
   99    HG3  ARG  13           1HG      ARG  13  -6.794   2.066  12.814
  100    HD2  ARG  13           2HD      ARG  13  -6.165   3.949  11.408
  101    HD3  ARG  13           1HD      ARG  13  -6.905   3.175  10.007
  102    HE   ARG  13           HE       ARG  13  -8.745   3.435  12.128
  103   HH11  ARG  13          1HH1      ARG  13  -7.125   5.355   9.654
  104   HH12  ARG  13          2HH1      ARG  13  -8.401   6.488   9.510
  105   HH21  ARG  13          1HH2      ARG  13 -10.465   5.002  11.952
  106   HH22  ARG  13          2HH2      ARG  13 -10.314   6.287  10.842
  107    H    GLU  14           H        GLU  14  -4.279  -1.362   9.537
  108    HA   GLU  14           HA       GLU  14  -1.553  -0.458   9.725
  109    HB2  GLU  14           2HB      GLU  14  -2.895  -3.116   9.350
  110    HB3  GLU  14           1HB      GLU  14  -1.177  -2.954   9.039
  111    HG2  GLU  14           2HG      GLU  14  -1.607  -3.820  11.272
  112    HG3  GLU  14           1HG      GLU  14  -0.810  -2.258  11.344
  113    H    LEU  15           H        LEU  15  -3.866  -1.197   7.351
  114    HA   LEU  15           HA       LEU  15  -2.144  -1.406   5.121
  115    HB2  LEU  15           2HB      LEU  15  -4.640  -1.938   5.309
  116    HB3  LEU  15           1HB      LEU  15  -4.900  -0.219   5.101
  117    HG   LEU  15           HG       LEU  15  -3.702  -0.365   2.924
  118   HD11  LEU  15          1HD1      LEU  15  -3.467  -2.653   1.998
  119   HD12  LEU  15          2HD1      LEU  15  -3.868  -3.260   3.626
  120   HD13  LEU  15          3HD1      LEU  15  -2.394  -2.335   3.370
  121   HD21  LEU  15          3HD2      LEU  15  -6.094  -2.167   3.246
  122   HD22  LEU  15          1HD2      LEU  15  -5.528  -1.434   1.746
  123   HD23  LEU  15          2HD2      LEU  15  -6.147  -0.411   3.047
  124    H    VAL  16           H        VAL  16  -3.845   1.215   6.713
  125    HA   VAL  16           HA       VAL  16  -2.966   3.250   4.964
  126    HB   VAL  16           HB       VAL  16  -3.914   3.551   7.836
  127   HG11  VAL  16          1HG1      VAL  16  -2.813   5.549   7.030
  128   HG12  VAL  16          2HG1      VAL  16  -4.555   5.826   7.130
  129   HG13  VAL  16          3HG1      VAL  16  -3.796   5.534   5.566
  130   HG21  VAL  16          3HG2      VAL  16  -6.127   4.006   6.878
  131   HG22  VAL  16          1HG2      VAL  16  -5.576   2.375   6.495
  132   HG23  VAL  16          2HG2      VAL  16  -5.501   3.643   5.271
  133    H    ARG  17           H        ARG  17  -1.710   1.923   7.985
  134    HA   ARG  17           HA       ARG  17   0.379   3.701   8.479
  135    HB2  ARG  17           2HB      ARG  17   0.339   0.709   8.888
  136    HB3  ARG  17           1HB      ARG  17   1.568   1.742   9.571
  137    HG2  ARG  17           2HG      ARG  17  -0.190   2.915  10.847
  138    HG3  ARG  17           1HG      ARG  17  -1.373   1.786  10.193
  139    HD2  ARG  17           2HD      ARG  17  -0.020  -0.074  11.179
  140    HD3  ARG  17           1HD      ARG  17   0.980   1.139  11.972
  141    HE   ARG  17           HE       ARG  17  -1.798   0.478  12.509
  142   HH11  ARG  17          1HH1      ARG  17   1.115   2.284  13.448
  143   HH12  ARG  17          2HH1      ARG  17   0.482   2.818  14.932
  144   HH21  ARG  17          1HH2      ARG  17  -2.692   1.317  14.558
  145   HH22  ARG  17          2HH2      ARG  17  -1.719   2.290  15.547
  146    H    ALA  18           H        ALA  18   0.360   0.889   6.433
  147    HA   ALA  18           HA       ALA  18   3.041   1.169   5.515
  148    HB1  ALA  18           1HB      ALA  18   0.741  -0.278   4.199
  149    HB2  ALA  18           2HB      ALA  18   1.838  -0.966   5.398
  150    HB3  ALA  18           3HB      ALA  18   2.451  -0.483   3.816
  151    H    GLN  19           H        GLN  19  -0.070   2.202   4.265
  152    HA   GLN  19           HA       GLN  19   0.718   3.314   1.817
  153    HB2  GLN  19           2HB      GLN  19  -1.448   3.976   3.748
  154    HB3  GLN  19           1HB      GLN  19  -1.273   4.902   2.288
  155    HG2  GLN  19           2HG      GLN  19  -1.473   2.630   1.084
  156    HG3  GLN  19           1HG      GLN  19  -1.974   1.999   2.649
  157   HE21  GLN  19          1HE2      GLN  19  -2.743   4.158   0.082
  158   HE22  GLN  19          2HE2      GLN  19  -4.431   4.326   0.441
  159    H    ILE  20           H        ILE  20   0.209   4.938   4.904
  160    HA   ILE  20           HA       ILE  20   1.027   7.510   4.275
  161    HB   ILE  20           HB       ILE  20   1.467   6.079   6.924
  162   HG12  ILE  20          2HG1      ILE  20  -0.725   7.965   6.047
  163   HG13  ILE  20          1HG1      ILE  20  -0.892   6.218   6.186
  164   HG21  ILE  20          1HG2      ILE  20   1.611   8.317   7.929
  165   HG22  ILE  20          2HG2      ILE  20   1.528   9.035   6.320
  166   HG23  ILE  20          3HG2      ILE  20   2.913   8.040   6.768
  167   HD11  ILE  20          3HD1      ILE  20  -1.872   7.365   8.100
  168   HD12  ILE  20          1HD1      ILE  20  -0.322   8.129   8.449
  169   HD13  ILE  20          2HD1      ILE  20  -0.495   6.379   8.598
  170    H    ALA  21           H        ALA  21   3.009   4.822   5.326
  171    HA   ALA  21           HA       ALA  21   5.473   6.152   5.456
  172    HB1  ALA  21           1HB      ALA  21   6.493   3.935   5.283
  173    HB2  ALA  21           2HB      ALA  21   4.941   3.269   4.767
  174    HB3  ALA  21           3HB      ALA  21   5.121   3.925   6.391
  175    H    ILE  22           H        ILE  22   3.897   4.481   2.780
  176    HA   ILE  22           HA       ILE  22   6.090   4.970   0.991
  177    HB   ILE  22           HB       ILE  22   4.124   3.068   1.019
  178   HG12  ILE  22          2HG1      ILE  22   6.180   2.880  -0.177
  179   HG13  ILE  22          1HG1      ILE  22   4.813   2.440  -1.210
  180   HG21  ILE  22          1HG2      ILE  22   3.208   4.967  -1.070
  181   HG22  ILE  22          2HG2      ILE  22   2.334   4.501   0.394
  182   HG23  ILE  22          3HG2      ILE  22   2.661   3.305  -0.867
  183   HD11  ILE  22          3HD1      ILE  22   6.414   4.994  -1.314
  184   HD12  ILE  22          1HD1      ILE  22   5.026   4.620  -2.334
  185   HD13  ILE  22          2HD1      ILE  22   6.498   3.658  -2.462
  186    H    CYS  23           H        CYS  23   3.210   6.509   1.874
  187    HA   CYS  23           HA       CYS  23   2.969   8.277  -0.373
  188    HB2  CYS  23           2HB      CYS  23   1.196   7.569   1.481
  189    HB3  CYS  23           1HB      CYS  23   1.834   8.968   2.329
  190    H    GLY  24           H        GLY  24   4.753   8.216   2.574
  191    HA2  GLY  24           2HA      GLY  24   5.738  10.928   2.168
  192    HA3  GLY  24           1HA      GLY  24   6.057   9.898   3.565
  193    H    MET  25           H        MET  25   6.323   8.178   0.708
  194    HA   MET  25           HA       MET  25   9.162   8.689   0.471
  195    HB2  MET  25           2HB      MET  25   7.880   5.974   0.767
  196    HB3  MET  25           1HB      MET  25   9.452   6.189   0.018
  197    HG2  MET  25           2HG      MET  25   8.717   6.943   2.831
  198    HG3  MET  25           1HG      MET  25   9.656   5.531   2.340
  199    HE1  MET  25           3HE      MET  25  11.625   6.156   3.954
  200    HE2  MET  25           1HE      MET  25  10.682   7.538   4.513
  201    HE3  MET  25           2HE      MET  25  12.364   7.757   4.026
  202    H    SER  26           H        SER  26   8.230   9.950  -1.129
  203    HA   SER  26           HA       SER  26   7.419   8.529  -3.553
  204    HB2  SER  26           2HB      SER  26   7.584  11.501  -2.999
  205    HB3  SER  26           1HB      SER  26   6.839  10.727  -4.403
  206    HG   SER  26           HG       SER  26   5.575   9.563  -2.746
  207    H    THR  27           H        THR  27  10.153   8.712  -2.233
  208    HA   THR  27           HA       THR  27  11.664   9.391  -4.575
  209    HB   THR  27           HB       THR  27  13.487   9.882  -2.831
  210    HG1  THR  27           1HG      THR  27  12.906  10.181  -0.789
  211   HG21  THR  27          3HG2      THR  27  12.408  11.678  -4.127
  212   HG22  THR  27          1HG2      THR  27  12.737  12.203  -2.476
  213   HG23  THR  27          2HG2      THR  27  11.101  11.745  -2.947
  214    H    TRP  28           H        TRP  28  13.862   8.270  -3.968
  215    HA   TRP  28           HA       TRP  28  13.161   5.467  -3.609
  216    HB2  TRP  28           2HB      TRP  28  14.415   6.178  -5.671
  217    HB3  TRP  28           1HB      TRP  28  15.778   6.600  -4.646
  218    HD1  TRP  28           HD       TRP  28  13.711   3.491  -5.650
  219    HE1  TRP  28           1HE      TRP  28  15.245   1.434  -5.550
  220    HE3  TRP  28           3HE      TRP  28  17.939   5.717  -3.822
  221    HZ2  TRP  28           2HZ      TRP  28  17.896   0.829  -4.797
  222    HZ3  TRP  28           3HZ      TRP  28  19.931   4.325  -3.449
  223    HH2  TRP  28           HH       TRP  28  19.908   1.937  -3.924
  224    H    SER  29           H        SER  29  12.897   6.093  -1.296
  225    HA   SER  29           HA       SER  29  15.440   5.584   0.083
  226    HB2  SER  29           2HB      SER  29  13.100   7.212   1.115
  227    HB3  SER  29           1HB      SER  29  14.618   6.920   1.965
  228    HG   SER  29           HG       SER  29  14.697   8.901   0.998
  229    HN1  NH2  30           HT1      SER  29  14.864   3.369  -0.235
  230    HN2  NH2  30           HT2      SER  29  13.676   2.583   0.741
  231    HA   PCA   1           HA       PCA   1 -14.109   4.363  -4.098
  232    HB2  PCA   1           2HB      PCA   1 -14.886   2.497  -6.093
  233    HB3  PCA   1           1HB      PCA   1 -15.978   3.392  -4.994
  234    HG2  PCA   1           2HG      PCA   1 -15.645   3.745  -7.829
  235    HG3  PCA   1           1HG      PCA   1 -16.673   4.719  -6.722
  236    H    LEU   2           H        LEU   2 -11.953   5.156  -5.736
  237    HA   LEU   2           HA       LEU   2 -10.620   2.765  -6.682
  238    HB2  LEU   2           2HB      LEU   2  -9.528   5.563  -6.416
  239    HB3  LEU   2           1HB      LEU   2  -8.733   4.222  -7.220
  240    HG   LEU   2           HG       LEU   2 -11.347   5.454  -8.099
  241   HD11  LEU   2          1HD1      LEU   2 -10.067   6.330  -9.985
  242   HD12  LEU   2          2HD1      LEU   2  -8.582   5.715  -9.258
  243   HD13  LEU   2          3HD1      LEU   2  -9.503   6.980  -8.446
  244   HD21  LEU   2          3HD2      LEU   2 -11.222   3.102  -8.702
  245   HD22  LEU   2          1HD2      LEU   2  -9.612   3.343  -9.387
  246   HD23  LEU   2          2HD2      LEU   2 -11.013   4.108 -10.133
  247    H    TYR   3           H        TYR   3 -10.330   4.877  -3.930
  248    HA   TYR   3           HA       TYR   3  -8.085   3.524  -2.803
  249    HB2  TYR   3           2HB      TYR   3 -10.123   5.399  -1.689
  250    HB3  TYR   3           1HB      TYR   3  -8.988   4.592  -0.631
  251    HD1  TYR   3           1HD      TYR   3  -6.579   5.152  -0.805
  252    HD2  TYR   3           2HD      TYR   3  -9.476   7.122  -3.190
  253    HE1  TYR   3           1HE      TYR   3  -4.939   6.901  -1.341
  254    HE2  TYR   3           2HE      TYR   3  -7.860   8.869  -3.739
  255    HH   TYR   3           HH       TYR   3  -5.800   9.808  -2.599
  256    H    SER   4           H        SER   4 -11.503   3.381  -2.286
  257    HA   SER   4           HA       SER   4 -11.637   1.311  -0.446
  258    HB2  SER   4           2HB      SER   4 -13.570   1.874  -2.701
  259    HB3  SER   4           1HB      SER   4 -13.935   1.037  -1.191
  260    HG   SER   4           HG       SER   4 -14.534   3.253  -1.215
  261    H    ALA   5           H        ALA   5 -11.295   1.179  -3.985
  262    HA   ALA   5           HA       ALA   5 -11.524  -1.628  -4.244
  263    HB1  ALA   5           1HB      ALA   5 -11.720  -0.100  -6.173
  264    HB2  ALA   5           2HB      ALA   5 -10.487  -1.330  -6.444
  265    HB3  ALA   5           3HB      ALA   5 -10.013   0.311  -6.006
  266    H    LEU   6           H        LEU   6  -8.772   0.541  -3.854
  267    HA   LEU   6           HA       LEU   6  -6.685  -1.302  -3.908
  268    HB2  LEU   6           2HB      LEU   6  -6.400   1.173  -3.873
  269    HB3  LEU   6           1HB      LEU   6  -6.905   1.192  -2.197
  270    HG   LEU   6           HG       LEU   6  -4.914  -0.214  -1.646
  271   HD11  LEU   6          1HD1      LEU   6  -4.182   0.355  -4.501
  272   HD12  LEU   6          2HD1      LEU   6  -4.534  -1.222  -3.793
  273   HD13  LEU   6          3HD1      LEU   6  -3.100  -0.334  -3.297
  274   HD21  LEU   6          3HD2      LEU   6  -4.296   2.447  -2.962
  275   HD22  LEU   6          1HD2      LEU   6  -3.283   1.624  -1.775
  276   HD23  LEU   6          2HD2      LEU   6  -4.864   2.226  -1.307
  277    H    ALA   7           H        ALA   7  -8.544  -0.104  -1.144
  278    HA   ALA   7           HA       ALA   7  -7.369  -1.588   0.905
  279    HB1  ALA   7           1HB      ALA   7  -9.466  -1.240   2.137
  280    HB2  ALA   7           2HB      ALA   7 -10.255  -0.734   0.643
  281    HB3  ALA   7           3HB      ALA   7  -8.946   0.233   1.320
  282    H    ASN   8           H        ASN   8 -10.148  -2.340  -1.098
  283    HA   ASN   8           HA       ASN   8 -10.767  -4.852  -0.079
  284    HB2  ASN   8           2HB      ASN   8 -12.334  -3.677  -1.468
  285    HB3  ASN   8           1HB      ASN   8 -11.200  -3.621  -2.805
  286   HD21  ASN   8          1HD2      ASN   8 -11.115  -5.313  -4.195
  287   HD22  ASN   8          2HD2      ASN   8 -12.162  -6.671  -4.100
  288    H    LYS   9           H        LYS   9  -8.560  -3.955  -2.696
  289    HA   LYS   9           HA       LYS   9  -7.886  -6.618  -3.368
  290    HB2  LYS   9           2HB      LYS   9  -6.866  -3.940  -4.077
  291    HB3  LYS   9           1HB      LYS   9  -5.726  -5.258  -4.257
  292    HG2  LYS   9           2HG      LYS   9  -8.474  -5.260  -5.482
  293    HG3  LYS   9           1HG      LYS   9  -7.030  -4.666  -6.313
  294    HD2  LYS   9           2HD      LYS   9  -5.970  -6.838  -6.095
  295    HD3  LYS   9           1HD      LYS   9  -7.339  -7.456  -5.182
  296    HE2  LYS   9           2HE      LYS   9  -7.442  -6.475  -8.027
  297    HE3  LYS   9           1HE      LYS   9  -7.340  -8.167  -7.541
  298    HZ1  LYS   9           3HZ      LYS   9  -9.568  -6.300  -6.931
  299    HZ2  LYS   9           1HZ      LYS   9  -9.458  -7.890  -6.382
  300    HZ3  LYS   9           2HZ      LYS   9  -9.594  -7.579  -8.020
  301    H    CYS  10           H        CYS  10  -6.136  -4.296  -1.377
  302    HA   CYS  10           HA       CYS  10  -3.975  -6.051  -0.827
  303    HB2  CYS  10           2HB      CYS  10  -5.014  -3.845   0.938
  304    HB3  CYS  10           1HB      CYS  10  -3.384  -4.501   0.888
  305    H    CYS  11           H        CYS  11  -7.082  -5.557   0.754
  306    HA   CYS  11           HA       CYS  11  -6.279  -7.113   3.005
  307    HB2  CYS  11           2HB      CYS  11  -8.028  -5.221   2.923
  308    HB3  CYS  11           1HB      CYS  11  -9.128  -6.450   2.317
  309    H    HIS  12           H        HIS  12  -7.898  -7.731  -0.059
  310    HA   HIS  12           HA       HIS  12  -8.761 -10.346   0.795
  311    HB2  HIS  12           2HB      HIS  12  -8.865  -8.916  -1.837
  312    HB3  HIS  12           1HB      HIS  12  -9.244 -10.627  -1.721
  313    HD1  HIS  12           1HD      HIS  12 -11.752 -10.193  -2.366
  314    HD2  HIS  12           2HD      HIS  12 -10.458  -8.225   1.046
  315    HE1  HIS  12           1HE      HIS  12 -13.822  -9.337  -1.253
  316    H    VAL  13           H        VAL  13  -6.414  -9.165  -1.554
  317    HA   VAL  13           HA       VAL  13  -5.160 -11.817  -1.375
  318    HB   VAL  13           HB       VAL  13  -4.351 -11.421  -3.710
  319   HG11  VAL  13          1HG1      VAL  13  -7.338 -11.654  -3.225
  320   HG12  VAL  13          2HG1      VAL  13  -6.191 -12.996  -3.223
  321   HG13  VAL  13          3HG1      VAL  13  -6.557 -12.143  -4.727
  322   HG21  VAL  13          3HG2      VAL  13  -6.512  -9.310  -3.718
  323   HG22  VAL  13          1HG2      VAL  13  -5.706  -9.925  -5.162
  324   HG23  VAL  13          2HG2      VAL  13  -4.784  -9.048  -3.943
  325    H    GLY  14           H        GLY  14  -4.628  -8.485  -1.983
  326    HA2  GLY  14           2HA      GLY  14  -2.807  -7.610  -0.429
  327    HA3  GLY  14           1HA      GLY  14  -1.796  -8.746  -1.269
  328    H    CYS  15           H        CYS  15  -0.926  -6.361  -1.499
  329    HA   CYS  15           HA       CYS  15  -1.419  -5.713  -4.268
  330    HB2  CYS  15           2HB      CYS  15  -1.736  -3.320  -3.748
  331    HB3  CYS  15           1HB      CYS  15  -3.074  -4.335  -3.227
  332    H    THR  16           H        THR  16   0.169  -4.186  -5.043
  333    HA   THR  16           HA       THR  16   2.655  -4.666  -3.771
  334    HB   THR  16           HB       THR  16   3.596  -3.385  -5.697
  335    HG1  THR  16           1HG      THR  16   1.240  -3.529  -7.109
  336   HG21  THR  16          3HG2      THR  16   3.393  -5.809  -5.829
  337   HG22  THR  16          1HG2      THR  16   3.070  -5.081  -7.402
  338   HG23  THR  16          2HG2      THR  16   1.733  -5.655  -6.402
  339    H    LYS  17           H        LYS  17   4.037  -3.049  -3.297
  340    HA   LYS  17           HA       LYS  17   2.958  -0.932  -1.671
  341    HB2  LYS  17           2HB      LYS  17   5.132  -2.249  -1.397
  342    HB3  LYS  17           1HB      LYS  17   5.807  -1.274  -2.663
  343    HG2  LYS  17           2HG      LYS  17   6.432  -0.635  -0.418
  344    HG3  LYS  17           1HG      LYS  17   5.754   0.687  -1.373
  345    HD2  LYS  17           2HD      LYS  17   4.874   0.812   0.880
  346    HD3  LYS  17           1HD      LYS  17   3.572   0.328  -0.186
  347    HE2  LYS  17           2HE      LYS  17   3.418  -0.993   1.804
  348    HE3  LYS  17           1HE      LYS  17   4.011  -2.053   0.531
  349    HZ1  LYS  17           3HZ      LYS  17   6.237  -1.869   1.423
  350    HZ2  LYS  17           1HZ      LYS  17   5.184  -2.301   2.651
  351    HZ3  LYS  17           2HZ      LYS  17   5.734  -0.728   2.561
  352    H    ARG  18           H        ARG  18   4.211  -1.071  -4.876
  353    HA   ARG  18           HA       ARG  18   3.962   1.728  -5.344
  354    HB2  ARG  18           2HB      ARG  18   4.146  -0.574  -7.256
  355    HB3  ARG  18           1HB      ARG  18   3.827   1.053  -7.828
  356    HG2  ARG  18           2HG      ARG  18   5.935   1.787  -6.747
  357    HG3  ARG  18           1HG      ARG  18   6.253   0.104  -6.326
  358    HD2  ARG  18           2HD      ARG  18   5.870   1.165  -9.124
  359    HD3  ARG  18           1HD      ARG  18   7.421   0.788  -8.382
  360    HE   ARG  18           HE       ARG  18   6.712  -1.527  -8.279
  361   HH11  ARG  18          1HH1      ARG  18   4.867   0.543 -10.530
  362   HH12  ARG  18          2HH1      ARG  18   4.430  -0.766 -11.525
  363   HH21  ARG  18          1HH2      ARG  18   6.121  -3.263  -9.705
  364   HH22  ARG  18          2HH2      ARG  18   5.114  -2.944 -11.042
  365    H    SER  19           H        SER  19   1.669  -0.756  -5.131
  366    HA   SER  19           HA       SER  19  -0.332   0.421  -6.774
  367    HB2  SER  19           2HB      SER  19  -0.266  -2.023  -6.259
  368    HB3  SER  19           1HB      SER  19  -0.598  -1.666  -4.575
  369    HG   SER  19           HG       SER  19  -2.508  -0.471  -5.904
  370    H    LEU  20           H        LEU  20   0.500   0.391  -3.333
  371    HA   LEU  20           HA       LEU  20  -1.598   2.332  -2.677
  372    HB2  LEU  20           2HB      LEU  20   0.940   2.161  -1.032
  373    HB3  LEU  20           1HB      LEU  20  -0.626   2.664  -0.601
  374    HG   LEU  20           HG       LEU  20  -0.359   0.825   0.579
  375   HD11  LEU  20          1HD1      LEU  20  -2.463   0.652  -0.280
  376   HD12  LEU  20          2HD1      LEU  20  -1.752  -0.975  -0.253
  377   HD13  LEU  20          3HD1      LEU  20  -1.847  -0.082  -1.769
  378   HD21  LEU  20          3HD2      LEU  20   0.474  -1.362  -0.186
  379   HD22  LEU  20          1HD2      LEU  20   1.651  -0.052  -0.260
  380   HD23  LEU  20          2HD2      LEU  20   0.856  -0.612  -1.737
  381    H    ALA  21           H        ALA  21   1.681   2.463  -3.442
  382    HA   ALA  21           HA       ALA  21   2.191   5.183  -3.081
  383    HB1  ALA  21           1HB      ALA  21   3.889   3.475  -3.692
  384    HB2  ALA  21           2HB      ALA  21   4.049   5.020  -4.530
  385    HB3  ALA  21           3HB      ALA  21   3.349   3.636  -5.368
  386    H    ARG  22           H        ARG  22   0.541   3.757  -5.828
  387    HA   ARG  22           HA       ARG  22   0.646   6.218  -7.305
  388    HB2  ARG  22           2HB      ARG  22  -0.847   5.097  -8.966
  389    HB3  ARG  22           1HB      ARG  22   0.656   4.254  -8.654
  390    HG2  ARG  22           2HG      ARG  22  -0.628   2.742  -7.118
  391    HG3  ARG  22           1HG      ARG  22  -2.101   3.523  -7.703
  392    HD2  ARG  22           2HD      ARG  22  -1.607   2.857  -9.969
  393    HD3  ARG  22           1HD      ARG  22  -0.054   2.194  -9.468
  394    HE   ARG  22           HE       ARG  22  -2.621   1.102  -8.519
  395   HH11  ARG  22          1HH1      ARG  22   0.596   0.605  -9.990
  396   HH12  ARG  22          2HH1      ARG  22   0.484  -1.080 -10.006
  397   HH21  ARG  22          1HH2      ARG  22  -2.755  -1.239  -8.536
  398   HH22  ARG  22          2HH2      ARG  22  -1.473  -2.168  -9.152
  399    H    PHE  23           H        PHE  23  -1.161   5.309  -4.775
  400    HA   PHE  23           HA       PHE  23  -3.240   7.278  -5.459
  401    HB2  PHE  23           2HB      PHE  23  -3.370   4.994  -3.469
  402    HB3  PHE  23           1HB      PHE  23  -4.611   6.225  -3.652
  403    HD1  PHE  23           2HD      PHE  23  -5.839   6.374  -5.837
  404    HD2  PHE  23           1HD      PHE  23  -3.327   3.104  -4.835
  405    HE1  PHE  23           2HE      PHE  23  -6.928   5.013  -7.564
  406    HE2  PHE  23           1HE      PHE  23  -4.410   1.734  -6.551
  407    HZ   PHE  23           HZ       PHE  23  -6.219   2.681  -7.923
  408    H    CYS  24           H        CYS  24  -1.571   5.904  -2.766
  409    HA   CYS  24           HA       CYS  24  -0.402   8.330  -1.920
  410    HB2  CYS  24           2HB      CYS  24  -2.690   8.765  -1.035
  411    HB3  CYS  24           1HB      CYS  24  -2.630   7.243  -0.163
  412    HN1  NH2  25           HT1      CYS  24   1.404   7.226  -1.924
  413    HN2  NH2  25           HT2      CYS  24   1.721   5.839  -0.939
  Start of MODEL   18
    1    H1   ASP   1           1HT      ASP   1   9.852  -5.097   1.144
    2    H2   ASP   1           2HT      ASP   1   9.986  -5.069   2.819
    3    H3   ASP   1           3HT      ASP   1  11.353  -4.875   1.867
    4    HA   ASP   1           HA       ASP   1   9.123  -2.942   2.008
    5    HB2  ASP   1           2HB      ASP   1  11.917  -2.902   3.023
    6    HB3  ASP   1           1HB      ASP   1  10.854  -1.497   2.914
    7    H    SER   2           H        SER   2  10.627  -4.306  -0.215
    8    HA   SER   2           HA       SER   2  12.276  -2.341  -1.434
    9    HB2  SER   2           2HB      SER   2  10.797  -4.622  -2.745
   10    HB3  SER   2           1HB      SER   2  12.180  -3.755  -3.395
   11    HG   SER   2           HG       SER   2  13.177  -4.470  -1.254
   12    H    TRP   3           H        TRP   3  11.732  -1.066  -3.262
   13    HA   TRP   3           HA       TRP   3   8.959  -0.243  -3.156
   14    HB2  TRP   3           2HB      TRP   3  11.319   1.156  -4.408
   15    HB3  TRP   3           1HB      TRP   3   9.666   1.751  -4.482
   16    HD1  TRP   3           HD       TRP   3  12.580   2.616  -2.738
   17    HE1  TRP   3           1HE      TRP   3  12.136   3.539  -0.386
   18    HE3  TRP   3           3HE      TRP   3   7.802   0.940  -2.093
   19    HZ2  TRP   3           2HZ      TRP   3  10.056   3.529   1.508
   20    HZ3  TRP   3           3HZ      TRP   3   6.675   1.402  -0.023
   21    HH2  TRP   3           HH       TRP   3   7.758   2.684   1.777
   22    H    MET   4           H        MET   4  11.322  -1.206  -5.589
   23    HA   MET   4           HA       MET   4   9.625  -0.817  -7.790
   24    HB2  MET   4           2HB      MET   4  11.988  -2.656  -7.497
   25    HB3  MET   4           1HB      MET   4  11.143  -2.401  -9.017
   26    HG2  MET   4           2HG      MET   4  11.701   0.013  -8.849
   27    HG3  MET   4           1HG      MET   4  12.640  -0.344  -7.406
   28    HE1  MET   4           3HE      MET   4  15.536  -2.579  -8.834
   29    HE2  MET   4           1HE      MET   4  14.008  -3.159  -8.170
   30    HE3  MET   4           2HE      MET   4  14.849  -1.817  -7.398
   31    H    GLU   5           H        GLU   5  10.267  -3.805  -5.972
   32    HA   GLU   5           HA       GLU   5   7.631  -4.616  -6.824
   33    HB2  GLU   5           2HB      GLU   5   9.349  -5.802  -8.222
   34    HB3  GLU   5           1HB      GLU   5   9.940  -6.547  -6.743
   35    HG2  GLU   5           2HG      GLU   5   7.768  -7.565  -6.358
   36    HG3  GLU   5           1HG      GLU   5   7.148  -6.811  -7.821
   37    H    GLU   6           H        GLU   6   6.433  -4.985  -5.118
   38    HA   GLU   6           HA       GLU   6   7.284  -6.621  -2.988
   39    HB2  GLU   6           2HB      GLU   6   8.164  -4.147  -2.453
   40    HB3  GLU   6           1HB      GLU   6   6.438  -3.913  -2.206
   41    HG2  GLU   6           2HG      GLU   6   7.541  -4.317  -0.097
   42    HG3  GLU   6           1HG      GLU   6   6.350  -5.558  -0.484
   43    H    VAL   7           H        VAL   7   5.513  -7.093  -1.753
   44    HA   VAL   7           HA       VAL   7   2.950  -5.992  -2.344
   45    HB   VAL   7           HB       VAL   7   3.112  -7.538  -4.238
   46   HG11  VAL   7          1HG1      VAL   7   4.774  -9.076  -3.388
   47   HG12  VAL   7          2HG1      VAL   7   3.359  -9.943  -3.977
   48   HG13  VAL   7          3HG1      VAL   7   3.601  -9.728  -2.243
   49   HG21  VAL   7          3HG2      VAL   7   1.263  -8.641  -2.123
   50   HG22  VAL   7          1HG2      VAL   7   1.124  -8.938  -3.855
   51   HG23  VAL   7          2HG2      VAL   7   0.909  -7.308  -3.219
   52    H    ILE   8           H        ILE   8   1.629  -6.173  -0.668
   53    HA   ILE   8           HA       ILE   8   2.244  -8.105   1.422
   54    HB   ILE   8           HB       ILE   8   1.907  -6.472   3.212
   55   HG12  ILE   8          2HG1      ILE   8   0.506  -4.801   1.948
   56   HG13  ILE   8          1HG1      ILE   8   1.761  -4.074   2.932
   57   HG21  ILE   8          1HG2      ILE   8   4.139  -5.643   1.400
   58   HG22  ILE   8          2HG2      ILE   8   4.166  -6.915   2.619
   59   HG23  ILE   8          3HG2      ILE   8   3.999  -5.230   3.110
   60   HD11  ILE   8          3HD1      ILE   8   1.540  -2.928   0.812
   61   HD12  ILE   8          1HD1      ILE   8   1.818  -4.435  -0.063
   62   HD13  ILE   8          2HD1      ILE   8   3.110  -3.726   0.904
   63    H    LYS   9           H        LYS   9   0.355  -8.332   2.915
   64    HA   LYS   9           HA       LYS   9  -2.059  -7.440   1.569
   65    HB2  LYS   9           2HB      LYS   9  -3.225  -9.538   2.183
   66    HB3  LYS   9           1HB      LYS   9  -1.912  -9.789   1.054
   67    HG2  LYS   9           2HG      LYS   9  -0.511 -10.538   3.008
   68    HG3  LYS   9           1HG      LYS   9  -1.967 -10.443   3.990
   69    HD2  LYS   9           2HD      LYS   9  -1.604 -12.186   1.542
   70    HD3  LYS   9           1HD      LYS   9  -1.569 -12.738   3.214
   71    HE2  LYS   9           2HE      LYS   9  -3.948 -11.477   1.828
   72    HE3  LYS   9           1HE      LYS   9  -3.724 -13.196   2.117
   73    HZ1  LYS   9           3HZ      LYS   9  -5.158 -12.250   3.774
   74    HZ2  LYS   9           1HZ      LYS   9  -3.995 -11.112   4.226
   75    HZ3  LYS   9           2HZ      LYS   9  -3.724 -12.746   4.501
   76    H    LEU  10           H        LEU  10  -2.234  -5.736   2.798
   77    HA   LEU  10           HA       LEU  10  -2.794  -6.129   5.661
   78    HB2  LEU  10           2HB      LEU  10  -1.626  -3.850   4.126
   79    HB3  LEU  10           1HB      LEU  10  -2.539  -3.520   5.563
   80    HG   LEU  10           HG       LEU  10  -1.012  -4.688   6.947
   81   HD11  LEU  10          1HD1      LEU  10  -0.367  -6.540   5.462
   82   HD12  LEU  10          2HD1      LEU  10   1.070  -5.725   6.082
   83   HD13  LEU  10          3HD1      LEU  10   0.518  -5.413   4.435
   84   HD21  LEU  10          3HD2      LEU  10   0.525  -2.979   5.008
   85   HD22  LEU  10          1HD2      LEU  10   1.009  -3.349   6.658
   86   HD23  LEU  10          2HD2      LEU  10  -0.439  -2.379   6.348
   87    H    CYS  11           H        CYS  11  -4.226  -4.285   6.413
   88    HA   CYS  11           HA       CYS  11  -6.408  -3.803   4.532
   89    HB2  CYS  11           2HB      CYS  11  -7.004  -5.109   7.187
   90    HB3  CYS  11           1HB      CYS  11  -8.115  -4.737   5.876
   91    H    GLY  12           H        GLY  12  -8.004  -2.307   5.467
   92    HA2  GLY  12           2HA      GLY  12  -8.617  -0.379   6.554
   93    HA3  GLY  12           1HA      GLY  12  -8.092  -1.254   7.962
   94    H    ARG  13           H        ARG  13  -6.983  -0.079   9.145
   95    HA   ARG  13           HA       ARG  13  -5.681   2.266   8.245
   96    HB2  ARG  13           2HB      ARG  13  -5.874   1.009  10.964
   97    HB3  ARG  13           1HB      ARG  13  -4.953   2.475  10.664
   98    HG2  ARG  13           2HG      ARG  13  -7.892   2.161  10.068
   99    HG3  ARG  13           1HG      ARG  13  -7.236   2.902  11.529
  100    HD2  ARG  13           2HD      ARG  13  -6.123   4.593  10.186
  101    HD3  ARG  13           1HD      ARG  13  -6.723   3.858   8.706
  102    HE   ARG  13           HE       ARG  13  -8.987   4.341   9.898
  103   HH11  ARG  13          1HH1      ARG  13  -6.130   6.429   9.822
  104   HH12  ARG  13          2HH1      ARG  13  -7.002   7.883   9.788
  105   HH21  ARG  13          1HH2      ARG  13 -10.222   6.394   9.830
  106   HH22  ARG  13          2HH2      ARG  13  -9.368   7.854   9.755
  107    H    GLU  14           H        GLU  14  -4.572  -0.988   8.582
  108    HA   GLU  14           HA       GLU  14  -1.841  -0.264   8.940
  109    HB2  GLU  14           2HB      GLU  14  -3.172  -2.747   7.854
  110    HB3  GLU  14           1HB      GLU  14  -1.437  -2.588   8.068
  111    HG2  GLU  14           2HG      GLU  14  -3.517  -2.470  10.240
  112    HG3  GLU  14           1HG      GLU  14  -2.439  -3.822   9.900
  113    H    LEU  15           H        LEU  15  -4.009  -0.725   6.276
  114    HA   LEU  15           HA       LEU  15  -2.175  -0.501   4.124
  115    HB2  LEU  15           2HB      LEU  15  -5.014   0.470   4.302
  116    HB3  LEU  15           1HB      LEU  15  -4.087   0.343   2.824
  117    HG   LEU  15           HG       LEU  15  -4.756  -2.006   4.568
  118   HD11  LEU  15          1HD1      LEU  15  -6.447  -2.478   2.862
  119   HD12  LEU  15          2HD1      LEU  15  -6.125  -0.888   2.139
  120   HD13  LEU  15          3HD1      LEU  15  -6.783  -1.013   3.771
  121   HD21  LEU  15          3HD2      LEU  15  -3.826  -1.800   1.715
  122   HD22  LEU  15          1HD2      LEU  15  -4.215  -3.260   2.626
  123   HD23  LEU  15          2HD2      LEU  15  -2.828  -2.276   3.103
  124    H    VAL  16           H        VAL  16  -4.013   1.885   5.949
  125    HA   VAL  16           HA       VAL  16  -3.070   4.174   4.497
  126    HB   VAL  16           HB       VAL  16  -4.013   4.102   7.388
  127   HG11  VAL  16          1HG1      VAL  16  -3.929   6.374   5.407
  128   HG12  VAL  16          2HG1      VAL  16  -2.901   6.184   6.828
  129   HG13  VAL  16          3HG1      VAL  16  -4.635   6.445   7.021
  130   HG21  VAL  16          3HG2      VAL  16  -5.627   4.514   4.877
  131   HG22  VAL  16          1HG2      VAL  16  -6.231   4.683   6.527
  132   HG23  VAL  16          2HG2      VAL  16  -5.687   3.110   5.944
  133    H    ARG  17           H        ARG  17  -2.011   2.637   7.475
  134    HA   ARG  17           HA       ARG  17   0.120   4.327   8.061
  135    HB2  ARG  17           2HB      ARG  17  -0.443   1.459   8.679
  136    HB3  ARG  17           1HB      ARG  17   1.057   2.182   9.214
  137    HG2  ARG  17           2HG      ARG  17  -0.194   3.845  10.488
  138    HG3  ARG  17           1HG      ARG  17  -1.710   3.160   9.898
  139    HD2  ARG  17           2HD      ARG  17  -1.280   1.093  11.037
  140    HD3  ARG  17           1HD      ARG  17   0.340   1.632  11.482
  141    HE   ARG  17           HE       ARG  17  -1.226   3.518  12.552
  142   HH11  ARG  17          1HH1      ARG  17  -1.471  -0.021  12.764
  143   HH12  ARG  17          2HH1      ARG  17  -1.961   0.007  14.394
  144   HH21  ARG  17          1HH2      ARG  17  -1.926   3.518  14.760
  145   HH22  ARG  17          2HH2      ARG  17  -2.246   2.051  15.557
  146    H    ALA  18           H        ALA  18  -0.047   1.543   6.005
  147    HA   ALA  18           HA       ALA  18   2.677   1.479   5.298
  148    HB1  ALA  18           1HB      ALA  18   1.969   0.114   3.386
  149    HB2  ALA  18           2HB      ALA  18   0.292   0.568   3.684
  150    HB3  ALA  18           3HB      ALA  18   1.162  -0.406   4.868
  151    H    GLN  19           H        GLN  19  -0.135   2.812   3.626
  152    HA   GLN  19           HA       GLN  19   0.969   3.972   1.396
  153    HB2  GLN  19           2HB      GLN  19  -1.359   4.515   3.133
  154    HB3  GLN  19           1HB      GLN  19  -1.081   5.649   1.846
  155    HG2  GLN  19           2HG      GLN  19  -1.252   3.857   0.226
  156    HG3  GLN  19           1HG      GLN  19  -1.352   2.668   1.534
  157   HE21  GLN  19          1HE2      GLN  19  -3.283   1.894   0.759
  158   HE22  GLN  19          2HE2      GLN  19  -4.758   2.785   0.916
  159    H    ILE  20           H        ILE  20   0.294   5.632   4.446
  160    HA   ILE  20           HA       ILE  20   1.469   8.090   3.749
  161    HB   ILE  20           HB       ILE  20   1.112   6.926   6.529
  162   HG12  ILE  20          2HG1      ILE  20  -1.021   7.038   5.358
  163   HG13  ILE  20          1HG1      ILE  20  -0.970   8.266   6.613
  164   HG21  ILE  20          1HG2      ILE  20   2.678   8.780   6.588
  165   HG22  ILE  20          2HG2      ILE  20   1.153   9.250   7.340
  166   HG23  ILE  20          3HG2      ILE  20   1.539   9.800   5.710
  167   HD11  ILE  20          3HD1      ILE  20  -2.012   9.131   4.611
  168   HD12  ILE  20          1HD1      ILE  20  -0.588   8.716   3.655
  169   HD13  ILE  20          2HD1      ILE  20  -0.481   9.959   4.900
  170    H    ALA  21           H        ALA  21   2.878   5.234   5.295
  171    HA   ALA  21           HA       ALA  21   5.371   6.467   5.860
  172    HB1  ALA  21           1HB      ALA  21   4.751   3.536   5.556
  173    HB2  ALA  21           2HB      ALA  21   4.620   4.463   7.050
  174    HB3  ALA  21           3HB      ALA  21   6.198   4.218   6.299
  175    H    ILE  22           H        ILE  22   4.058   4.880   3.056
  176    HA   ILE  22           HA       ILE  22   6.489   4.472   1.665
  177    HB   ILE  22           HB       ILE  22   3.726   4.983   0.520
  178   HG12  ILE  22          2HG1      ILE  22   5.220   2.405   0.970
  179   HG13  ILE  22          1HG1      ILE  22   3.898   2.991   1.967
  180   HG21  ILE  22          1HG2      ILE  22   6.206   3.872  -0.804
  181   HG22  ILE  22          2HG2      ILE  22   5.469   5.444  -1.124
  182   HG23  ILE  22          3HG2      ILE  22   4.599   3.962  -1.527
  183   HD11  ILE  22          3HD1      ILE  22   3.721   2.225  -0.937
  184   HD12  ILE  22          1HD1      ILE  22   2.401   2.860   0.046
  185   HD13  ILE  22          2HD1      ILE  22   3.118   1.295   0.438
  186    H    CYS  23           H        CYS  23   4.164   7.113   1.666
  187    HA   CYS  23           HA       CYS  23   5.668   8.717  -0.167
  188    HB2  CYS  23           2HB      CYS  23   3.419   9.257   1.713
  189    HB3  CYS  23           1HB      CYS  23   4.158  10.546   0.780
  190    H    GLY  24           H        GLY  24   5.642   8.308   3.184
  191    HA2  GLY  24           2HA      GLY  24   7.254  10.544   3.882
  192    HA3  GLY  24           1HA      GLY  24   7.056   9.090   4.853
  193    H    MET  25           H        MET  25   7.980   7.224   2.920
  194    HA   MET  25           HA       MET  25  10.835   7.773   3.167
  195    HB2  MET  25           2HB      MET  25   9.362   5.178   2.824
  196    HB3  MET  25           1HB      MET  25  11.115   5.309   2.829
  197    HG2  MET  25           2HG      MET  25  11.004   6.220   5.109
  198    HG3  MET  25           1HG      MET  25   9.255   6.005   5.082
  199    HE1  MET  25           3HE      MET  25   8.905   2.100   4.904
  200    HE2  MET  25           1HE      MET  25   8.936   3.208   3.533
  201    HE3  MET  25           2HE      MET  25   8.048   3.639   4.992
  202    H    SER  26           H        SER  26   9.166   8.725   1.017
  203    HA   SER  26           HA       SER  26  10.225   7.328  -1.307
  204    HB2  SER  26           2HB      SER  26   8.439   9.757  -1.058
  205    HB3  SER  26           1HB      SER  26   8.993   9.117  -2.611
  206    HG   SER  26           HG       SER  26   7.701   7.447  -0.725
  207    H    THR  27           H        THR  27  12.055   8.452   0.523
  208    HA   THR  27           HA       THR  27  13.227  10.822  -0.533
  209    HB   THR  27           HB       THR  27  14.468   8.751   1.285
  210    HG1  THR  27           1HG      THR  27  12.744  10.916   1.965
  211   HG21  THR  27          3HG2      THR  27  14.841  11.757   1.121
  212   HG22  THR  27          1HG2      THR  27  15.980  10.549   0.524
  213   HG23  THR  27          2HG2      THR  27  15.659  10.679   2.253
  214    H    TRP  28           H        TRP  28  13.189   7.669  -1.229
  215    HA   TRP  28           HA       TRP  28  15.041   7.937  -3.433
  216    HB2  TRP  28           2HB      TRP  28  16.110   5.722  -3.024
  217    HB3  TRP  28           1HB      TRP  28  16.447   6.833  -1.708
  218    HD1  TRP  28           HD       TRP  28  14.795   3.504  -2.477
  219    HE1  TRP  28           1HE      TRP  28  14.075   2.376  -0.265
  220    HE3  TRP  28           3HE      TRP  28  15.644   7.366   0.723
  221    HZ2  TRP  28           2HZ      TRP  28  13.878   3.044   2.446
  222    HZ3  TRP  28           3HZ      TRP  28  15.160   7.052   3.125
  223    HH2  TRP  28           HH       TRP  28  14.299   4.927   3.963
  224    H    SER  29           H        SER  29  14.482   6.515  -5.168
  225    HA   SER  29           HA       SER  29  11.740   5.516  -4.887
  226    HB2  SER  29           2HB      SER  29  13.128   6.557  -7.355
  227    HB3  SER  29           1HB      SER  29  11.440   6.054  -7.242
  228    HG   SER  29           HG       SER  29  12.431   7.991  -5.494
  229    HN1  NH2  30           HT1      SER  29  12.227   3.441  -4.394
  230    HN2  NH2  30           HT2      SER  29  13.111   2.361  -5.418
  231    HA   PCA   1           HA       PCA   1 -14.292   4.152  -3.187
  232    HB2  PCA   1           2HB      PCA   1 -14.996   2.041  -4.963
  233    HB3  PCA   1           1HB      PCA   1 -16.114   2.888  -3.854
  234    HG2  PCA   1           2HG      PCA   1 -16.049   3.020  -6.724
  235    HG3  PCA   1           1HG      PCA   1 -17.074   4.002  -5.620
  236    H    LEU   2           H        LEU   2 -12.440   5.058  -5.092
  237    HA   LEU   2           HA       LEU   2 -10.829   3.105  -6.332
  238    HB2  LEU   2           2HB      LEU   2 -10.722   5.495  -6.848
  239    HB3  LEU   2           1HB      LEU   2 -10.018   5.808  -5.278
  240    HG   LEU   2           HG       LEU   2  -8.032   4.478  -5.956
  241   HD11  LEU   2          1HD1      LEU   2  -7.706   3.969  -8.324
  242   HD12  LEU   2          2HD1      LEU   2  -9.369   4.459  -8.648
  243   HD13  LEU   2          3HD1      LEU   2  -9.046   3.056  -7.630
  244   HD21  LEU   2          3HD2      LEU   2  -7.123   6.174  -7.475
  245   HD22  LEU   2          1HD2      LEU   2  -8.014   6.897  -6.134
  246   HD23  LEU   2          2HD2      LEU   2  -8.753   6.799  -7.733
  247    H    TYR   3           H        TYR   3 -10.370   4.703  -3.261
  248    HA   TYR   3           HA       TYR   3  -8.012   3.274  -2.537
  249    HB2  TYR   3           2HB      TYR   3  -9.931   4.968  -0.988
  250    HB3  TYR   3           1HB      TYR   3  -8.563   4.188  -0.225
  251    HD1  TYR   3           1HD      TYR   3  -9.573   6.672  -2.789
  252    HD2  TYR   3           2HD      TYR   3  -6.357   5.118  -0.482
  253    HE1  TYR   3           1HE      TYR   3  -8.163   8.540  -3.512
  254    HE2  TYR   3           2HE      TYR   3  -4.938   6.980  -1.197
  255    HH   TYR   3           HH       TYR   3  -6.187   9.734  -2.725
  256    H    SER   4           H        SER   4 -11.308   3.075  -1.522
  257    HA   SER   4           HA       SER   4 -11.177   0.922   0.198
  258    HB2  SER   4           2HB      SER   4 -13.442   1.659  -1.657
  259    HB3  SER   4           1HB      SER   4 -13.583   0.752  -0.147
  260    HG   SER   4           HG       SER   4 -14.020   3.094  -0.068
  261    H    ALA   5           H        ALA   5 -11.321   0.919  -3.332
  262    HA   ALA   5           HA       ALA   5 -11.773  -1.857  -3.643
  263    HB1  ALA   5           1HB      ALA   5 -10.429   0.062  -5.548
  264    HB2  ALA   5           2HB      ALA   5 -12.162  -0.215  -5.433
  265    HB3  ALA   5           3HB      ALA   5 -11.100  -1.519  -5.964
  266    H    LEU   6           H        LEU   6  -8.837   0.125  -3.580
  267    HA   LEU   6           HA       LEU   6  -6.966  -1.956  -3.922
  268    HB2  LEU   6           2HB      LEU   6  -6.308   0.413  -4.079
  269    HB3  LEU   6           1HB      LEU   6  -6.700   0.653  -2.390
  270    HG   LEU   6           HG       LEU   6  -4.872  -0.925  -1.788
  271   HD11  LEU   6          1HD1      LEU   6  -4.217  -0.772  -4.717
  272   HD12  LEU   6          2HD1      LEU   6  -4.726  -2.206  -3.820
  273   HD13  LEU   6          3HD1      LEU   6  -3.171  -1.450  -3.473
  274   HD21  LEU   6          3HD2      LEU   6  -4.475   1.480  -1.715
  275   HD22  LEU   6          1HD2      LEU   6  -4.017   1.474  -3.414
  276   HD23  LEU   6          2HD2      LEU   6  -3.017   0.642  -2.226
  277    H    ALA   7           H        ALA   7  -8.527  -0.582  -1.119
  278    HA   ALA   7           HA       ALA   7  -7.250  -1.976   0.904
  279    HB1  ALA   7           1HB      ALA   7  -8.775  -0.090   1.296
  280    HB2  ALA   7           2HB      ALA   7  -9.204  -1.493   2.276
  281    HB3  ALA   7           3HB      ALA   7 -10.137  -1.107   0.830
  282    H    ASN   8           H        ASN   8 -10.237  -2.822  -0.789
  283    HA   ASN   8           HA       ASN   8 -10.661  -5.297   0.475
  284    HB2  ASN   8           2HB      ASN   8 -11.472  -4.418  -2.306
  285    HB3  ASN   8           1HB      ASN   8 -12.032  -5.897  -1.538
  286   HD21  ASN   8          1HD2      ASN   8 -13.489  -3.553  -2.485
  287   HD22  ASN   8          2HD2      ASN   8 -14.382  -2.963  -1.142
  288    H    LYS   9           H        LYS   9  -9.024  -4.545  -2.542
  289    HA   LYS   9           HA       LYS   9  -8.393  -7.184  -3.331
  290    HB2  LYS   9           2HB      LYS   9  -8.240  -4.945  -4.662
  291    HB3  LYS   9           1HB      LYS   9  -6.709  -4.746  -3.861
  292    HG2  LYS   9           2HG      LYS   9  -5.887  -6.829  -4.894
  293    HG3  LYS   9           1HG      LYS   9  -7.416  -6.970  -5.771
  294    HD2  LYS   9           2HD      LYS   9  -7.001  -4.689  -6.700
  295    HD3  LYS   9           1HD      LYS   9  -5.397  -4.732  -5.977
  296    HE2  LYS   9           2HE      LYS   9  -5.162  -5.328  -8.273
  297    HE3  LYS   9           1HE      LYS   9  -4.966  -6.808  -7.343
  298    HZ1  LYS   9           3HZ      LYS   9  -7.455  -5.966  -8.701
  299    HZ2  LYS   9           1HZ      LYS   9  -7.241  -7.416  -7.884
  300    HZ3  LYS   9           2HZ      LYS   9  -6.385  -7.115  -9.299
  301    H    CYS  10           H        CYS  10  -6.562  -4.856  -1.427
  302    HA   CYS  10           HA       CYS  10  -4.275  -6.547  -1.099
  303    HB2  CYS  10           2HB      CYS  10  -4.452  -3.972  -0.873
  304    HB3  CYS  10           1HB      CYS  10  -5.103  -4.308   0.716
  305    H    CYS  11           H        CYS  11  -7.257  -6.026   0.676
  306    HA   CYS  11           HA       CYS  11  -6.350  -7.418   2.961
  307    HB2  CYS  11           2HB      CYS  11  -8.271  -5.676   2.757
  308    HB3  CYS  11           1HB      CYS  11  -9.241  -7.040   2.233
  309    H    HIS  12           H        HIS  12  -7.947  -8.322  -0.049
  310    HA   HIS  12           HA       HIS  12  -8.503 -10.980   0.913
  311    HB2  HIS  12           2HB      HIS  12  -8.879  -9.641  -1.747
  312    HB3  HIS  12           1HB      HIS  12  -9.072 -11.379  -1.573
  313    HD1  HIS  12           1HD      HIS  12 -11.420 -12.056  -1.121
  314    HD2  HIS  12           2HD      HIS  12 -10.602  -8.225   0.217
  315    HE1  HIS  12           1HE      HIS  12 -13.611 -11.155  -0.225
  316    H    VAL  13           H        VAL  13  -6.395  -9.668  -1.604
  317    HA   VAL  13           HA       VAL  13  -4.865 -12.148  -1.353
  318    HB   VAL  13           HB       VAL  13  -4.077 -11.753  -3.703
  319   HG11  VAL  13          1HG1      VAL  13  -7.056 -12.050  -3.294
  320   HG12  VAL  13          2HG1      VAL  13  -5.873 -13.356  -3.182
  321   HG13  VAL  13          3HG1      VAL  13  -6.190 -12.576  -4.738
  322   HG21  VAL  13          3HG2      VAL  13  -4.592  -9.389  -3.971
  323   HG22  VAL  13          1HG2      VAL  13  -6.314  -9.719  -3.757
  324   HG23  VAL  13          2HG2      VAL  13  -5.470 -10.332  -5.176
  325    H    GLY  14           H        GLY  14  -4.473  -8.769  -2.175
  326    HA2  GLY  14           2HA      GLY  14  -2.752  -7.918  -0.377
  327    HA3  GLY  14           1HA      GLY  14  -1.687  -8.847  -1.411
  328    H    CYS  15           H        CYS  15  -1.085  -6.350  -1.249
  329    HA   CYS  15           HA       CYS  15  -1.898  -5.312  -3.836
  330    HB2  CYS  15           2HB      CYS  15  -1.843  -3.043  -2.862
  331    HB3  CYS  15           1HB      CYS  15  -3.205  -4.027  -2.372
  332    H    THR  16           H        THR  16  -0.352  -3.985  -4.815
  333    HA   THR  16           HA       THR  16   2.268  -4.695  -3.964
  334    HB   THR  16           HB       THR  16   2.901  -3.538  -6.147
  335    HG1  THR  16           1HG      THR  16   0.972  -3.501  -7.569
  336   HG21  THR  16          3HG2      THR  16   2.128  -5.442  -7.508
  337   HG22  THR  16          1HG2      THR  16   1.007  -5.889  -6.223
  338   HG23  THR  16          2HG2      THR  16   2.746  -5.969  -5.943
  339    H    LYS  17           H        LYS  17   3.800  -3.268  -3.567
  340    HA   LYS  17           HA       LYS  17   3.047  -1.170  -1.773
  341    HB2  LYS  17           2HB      LYS  17   5.127  -2.664  -1.902
  342    HB3  LYS  17           1HB      LYS  17   5.789  -1.458  -3.003
  343    HG2  LYS  17           2HG      LYS  17   6.649  -1.046  -0.907
  344    HG3  LYS  17           1HG      LYS  17   5.407   0.199  -1.157
  345    HD2  LYS  17           2HD      LYS  17   3.852  -1.071   0.226
  346    HD3  LYS  17           1HD      LYS  17   5.032  -2.372   0.393
  347    HE2  LYS  17           2HE      LYS  17   6.561  -0.795   1.514
  348    HE3  LYS  17           1HE      LYS  17   5.320   0.449   1.395
  349    HZ1  LYS  17           3HZ      LYS  17   5.380  -0.612   3.548
  350    HZ2  LYS  17           1HZ      LYS  17   5.054  -2.099   2.878
  351    HZ3  LYS  17           2HZ      LYS  17   3.893  -0.883   2.847
  352    H    ARG  18           H        ARG  18   4.192  -1.109  -5.093
  353    HA   ARG  18           HA       ARG  18   4.301   1.719  -5.289
  354    HB2  ARG  18           2HB      ARG  18   4.022  -0.393  -7.416
  355    HB3  ARG  18           1HB      ARG  18   4.215   1.316  -7.764
  356    HG2  ARG  18           2HG      ARG  18   6.376   1.309  -6.649
  357    HG3  ARG  18           1HG      ARG  18   6.192  -0.401  -6.272
  358    HD2  ARG  18           2HD      ARG  18   7.595  -0.112  -8.229
  359    HD3  ARG  18           1HD      ARG  18   6.079  -0.895  -8.680
  360    HE   ARG  18           HE       ARG  18   6.212   1.981  -8.927
  361   HH11  ARG  18          1HH1      ARG  18   6.443  -1.146 -10.637
  362   HH12  ARG  18          2HH1      ARG  18   6.132  -0.463 -12.157
  363   HH21  ARG  18          1HH2      ARG  18   5.803   2.868 -11.047
  364   HH22  ARG  18          2HH2      ARG  18   5.754   1.838 -12.399
  365    H    SER  19           H        SER  19   1.730  -0.538  -5.395
  366    HA   SER  19           HA       SER  19  -0.074   1.177  -6.769
  367    HB2  SER  19           2HB      SER  19  -0.295  -1.272  -6.814
  368    HB3  SER  19           1HB      SER  19  -0.627  -1.328  -5.102
  369    HG   SER  19           HG       SER  19  -2.192   0.213  -6.927
  370    H    LEU  20           H        LEU  20   0.569   0.320  -3.361
  371    HA   LEU  20           HA       LEU  20  -1.401   2.229  -2.432
  372    HB2  LEU  20           2HB      LEU  20   0.909   1.588  -0.583
  373    HB3  LEU  20           1HB      LEU  20  -0.699   2.023  -0.254
  374    HG   LEU  20           HG       LEU  20  -1.420  -0.274  -1.097
  375   HD11  LEU  20          1HD1      LEU  20   0.724  -0.896  -2.081
  376   HD12  LEU  20          2HD1      LEU  20   0.227  -2.001  -0.802
  377   HD13  LEU  20          3HD1      LEU  20   1.465  -0.785  -0.483
  378   HD21  LEU  20          3HD2      LEU  20  -1.533   0.470   1.228
  379   HD22  LEU  20          1HD2      LEU  20   0.174   0.042   1.412
  380   HD23  LEU  20          2HD2      LEU  20  -1.016  -1.220   1.101
  381    H    ALA  21           H        ALA  21   1.842   2.366  -3.310
  382    HA   ALA  21           HA       ALA  21   2.495   4.959  -2.362
  383    HB1  ALA  21           1HB      ALA  21   4.159   3.338  -3.334
  384    HB2  ALA  21           2HB      ALA  21   4.297   4.981  -3.956
  385    HB3  ALA  21           3HB      ALA  21   3.512   3.738  -4.925
  386    H    ARG  22           H        ARG  22   0.977   3.857  -5.278
  387    HA   ARG  22           HA       ARG  22   0.746   6.335  -6.579
  388    HB2  ARG  22           2HB      ARG  22   0.567   4.219  -7.748
  389    HB3  ARG  22           1HB      ARG  22  -0.828   3.770  -6.795
  390    HG2  ARG  22           2HG      ARG  22  -1.486   4.390  -9.032
  391    HG3  ARG  22           1HG      ARG  22  -2.122   5.542  -7.860
  392    HD2  ARG  22           2HD      ARG  22   0.424   6.021  -9.380
  393    HD3  ARG  22           1HD      ARG  22  -1.145   6.483 -10.034
  394    HE   ARG  22           HE       ARG  22  -1.081   7.595  -7.557
  395   HH11  ARG  22          1HH1      ARG  22   1.071   7.763 -10.330
  396   HH12  ARG  22          2HH1      ARG  22   1.544   9.378 -10.062
  397   HH21  ARG  22          1HH2      ARG  22  -0.417   9.782  -7.132
  398   HH22  ARG  22          2HH2      ARG  22   0.685  10.558  -8.168
  399    H    PHE  23           H        PHE  23  -1.081   4.762  -4.149
  400    HA   PHE  23           HA       PHE  23  -3.313   6.593  -4.427
  401    HB2  PHE  23           2HB      PHE  23  -2.836   4.226  -2.634
  402    HB3  PHE  23           1HB      PHE  23  -4.192   5.315  -2.372
  403    HD1  PHE  23           1HD      PHE  23  -2.713   3.861  -5.486
  404    HD2  PHE  23           2HD      PHE  23  -6.117   4.246  -2.992
  405    HE1  PHE  23           1HE      PHE  23  -4.027   2.589  -7.112
  406    HE2  PHE  23           2HE      PHE  23  -7.440   2.967  -4.616
  407    HZ   PHE  23           HZ       PHE  23  -6.397   2.140  -6.679
  408    H    CYS  24           H        CYS  24  -1.312   5.655  -1.774
  409    HA   CYS  24           HA       CYS  24  -0.331   6.730  -0.066
  410    HB2  CYS  24           2HB      CYS  24   0.671   8.068  -1.909
  411    HB3  CYS  24           1HB      CYS  24  -0.619   9.245  -1.715
  412    HN1  NH2  25           HT1      CYS  24  -2.624   9.257  -1.047
  413    HN2  NH2  25           HT2      CYS  24  -3.415   9.370   0.486
  Start of MODEL   19
    1    H1   ASP   1           1HT      ASP   1  13.158   2.574  -5.486
    2    H2   ASP   1           2HT      ASP   1  11.606   2.644  -4.742
    3    H3   ASP   1           3HT      ASP   1  12.042   3.742  -5.902
    4    HA   ASP   1           HA       ASP   1  10.502   2.130  -6.690
    5    HB2  ASP   1           2HB      ASP   1  13.146   2.412  -8.111
    6    HB3  ASP   1           1HB      ASP   1  11.669   1.829  -8.874
    7    H    SER   2           H        SER   2  13.640   0.657  -5.993
    8    HA   SER   2           HA       SER   2  12.962  -1.886  -6.925
    9    HB2  SER   2           2HB      SER   2  14.891  -1.097  -4.742
   10    HB3  SER   2           1HB      SER   2  14.781  -2.727  -5.406
   11    HG   SER   2           HG       SER   2  15.795  -2.132  -7.074
   12    H    TRP   3           H        TRP   3  12.230  -0.380  -4.172
   13    HA   TRP   3           HA       TRP   3  11.090  -2.708  -2.812
   14    HB2  TRP   3           2HB      TRP   3  10.600  -1.045  -0.945
   15    HB3  TRP   3           1HB      TRP   3  12.291  -1.290  -1.337
   16    HD1  TRP   3           HD       TRP   3  13.686   0.853  -1.833
   17    HE1  TRP   3           1HE      TRP   3  13.126   3.338  -2.149
   18    HE3  TRP   3           3HE      TRP   3   8.582   0.581  -1.951
   19    HZ2  TRP   3           2HZ      TRP   3  10.866   4.965  -2.427
   20    HZ3  TRP   3           3HZ      TRP   3   7.321   2.561  -2.275
   21    HH2  TRP   3           HH       TRP   3   8.412   4.778  -2.492
   22    H    MET   4           H        MET   4  10.040  -0.573  -5.073
   23    HA   MET   4           HA       MET   4   7.424   0.026  -3.981
   24    HB2  MET   4           2HB      MET   4   8.717   1.687  -5.252
   25    HB3  MET   4           1HB      MET   4   8.664   0.655  -6.666
   26    HG2  MET   4           2HG      MET   4   6.304   0.950  -6.835
   27    HG3  MET   4           1HG      MET   4   6.263   1.905  -5.347
   28    HE1  MET   4           3HE      MET   4   4.990   2.921  -8.109
   29    HE2  MET   4           1HE      MET   4   5.548   4.594  -8.139
   30    HE3  MET   4           2HE      MET   4   4.978   3.882  -6.630
   31    H    GLU   5           H        GLU   5   8.887  -2.369  -5.829
   32    HA   GLU   5           HA       GLU   5   6.498  -3.259  -7.203
   33    HB2  GLU   5           2HB      GLU   5   9.342  -4.246  -7.100
   34    HB3  GLU   5           1HB      GLU   5   8.072  -5.083  -7.980
   35    HG2  GLU   5           2HG      GLU   5   8.813  -2.215  -8.476
   36    HG3  GLU   5           1HG      GLU   5   9.522  -3.569  -9.354
   37    H    GLU   6           H        GLU   6   7.001  -3.306  -4.157
   38    HA   GLU   6           HA       GLU   6   7.080  -6.046  -3.424
   39    HB2  GLU   6           2HB      GLU   6   7.920  -3.889  -2.153
   40    HB3  GLU   6           1HB      GLU   6   6.240  -3.745  -1.748
   41    HG2  GLU   6           2HG      GLU   6   6.189  -5.852  -0.611
   42    HG3  GLU   6           1HG      GLU   6   7.857  -6.182  -1.081
   43    H    VAL   7           H        VAL   7   5.433  -6.883  -2.303
   44    HA   VAL   7           HA       VAL   7   2.705  -5.883  -2.697
   45    HB   VAL   7           HB       VAL   7   3.098  -7.595  -4.457
   46   HG11  VAL   7          1HG1      VAL   7   4.813  -8.895  -3.411
   47   HG12  VAL   7          2HG1      VAL   7   3.470  -9.934  -3.878
   48   HG13  VAL   7          3HG1      VAL   7   3.680  -9.470  -2.189
   49   HG21  VAL   7          3HG2      VAL   7   1.203  -9.103  -3.979
   50   HG22  VAL   7          1HG2      VAL   7   0.832  -7.427  -3.572
   51   HG23  VAL   7          2HG2      VAL   7   1.222  -8.576  -2.296
   52    H    ILE   8           H        ILE   8   1.366  -6.228  -0.995
   53    HA   ILE   8           HA       ILE   8   2.368  -7.790   1.263
   54    HB   ILE   8           HB       ILE   8   1.782  -6.040   2.862
   55   HG12  ILE   8          2HG1      ILE   8   1.180  -4.333   0.447
   56   HG13  ILE   8          1HG1      ILE   8  -0.005  -4.976   1.562
   57   HG21  ILE   8          1HG2      ILE   8   4.072  -6.057   2.095
   58   HG22  ILE   8          2HG2      ILE   8   3.541  -4.395   2.383
   59   HG23  ILE   8          3HG2      ILE   8   3.650  -5.015   0.737
   60   HD11  ILE   8          3HD1      ILE   8   0.377  -2.651   2.057
   61   HD12  ILE   8          1HD1      ILE   8   2.115  -2.941   2.218
   62   HD13  ILE   8          2HD1      ILE   8   0.988  -3.657   3.366
   63    H    LYS   9           H        LYS   9   0.554  -7.871   2.941
   64    HA   LYS   9           HA       LYS   9  -2.057  -7.669   1.712
   65    HB2  LYS   9           2HB      LYS   9  -1.396 -10.023   1.414
   66    HB3  LYS   9           1HB      LYS   9  -1.081 -10.166   3.137
   67    HG2  LYS   9           2HG      LYS   9  -3.437  -9.783   3.609
   68    HG3  LYS   9           1HG      LYS   9  -3.760  -9.600   1.890
   69    HD2  LYS   9           2HD      LYS   9  -3.126 -11.889   1.482
   70    HD3  LYS   9           1HD      LYS   9  -2.644 -12.091   3.169
   71    HE2  LYS   9           2HE      LYS   9  -5.434 -11.434   2.227
   72    HE3  LYS   9           1HE      LYS   9  -4.874 -13.042   2.677
   73    HZ1  LYS   9           3HZ      LYS   9  -4.977 -10.681   4.502
   74    HZ2  LYS   9           1HZ      LYS   9  -4.460 -12.226   4.924
   75    HZ3  LYS   9           2HZ      LYS   9  -6.052 -11.968   4.492
   76    H    LEU  10           H        LEU  10  -2.277  -5.871   2.986
   77    HA   LEU  10           HA       LEU  10  -2.600  -6.273   5.900
   78    HB2  LEU  10           2HB      LEU  10  -1.392  -3.993   4.381
   79    HB3  LEU  10           1HB      LEU  10  -2.256  -3.675   5.847
   80    HG   LEU  10           HG       LEU  10  -0.729  -4.930   7.165
   81   HD11  LEU  10          1HD1      LEU  10   0.753  -5.579   4.603
   82   HD12  LEU  10          2HD1      LEU  10  -0.145  -6.731   5.589
   83   HD13  LEU  10          3HD1      LEU  10   1.314  -5.971   6.228
   84   HD21  LEU  10          3HD2      LEU  10  -0.158  -2.592   6.537
   85   HD22  LEU  10          1HD2      LEU  10   0.880  -3.222   5.281
   86   HD23  LEU  10          2HD2      LEU  10   1.246  -3.565   6.974
   87    H    CYS  11           H        CYS  11  -3.938  -4.393   6.746
   88    HA   CYS  11           HA       CYS  11  -6.159  -3.807   4.941
   89    HB2  CYS  11           2HB      CYS  11  -6.684  -5.141   7.579
   90    HB3  CYS  11           1HB      CYS  11  -7.842  -4.679   6.340
   91    H    GLY  12           H        GLY  12  -7.665  -2.268   5.867
   92    HA2  GLY  12           2HA      GLY  12  -8.247  -0.332   6.998
   93    HA3  GLY  12           1HA      GLY  12  -7.783  -1.264   8.388
   94    H    ARG  13           H        ARG  13  -6.575  -0.301   9.606
   95    HA   ARG  13           HA       ARG  13  -5.303   2.157   9.031
   96    HB2  ARG  13           2HB      ARG  13  -6.243   1.691  11.235
   97    HB3  ARG  13           1HB      ARG  13  -5.092   0.386  11.463
   98    HG2  ARG  13           2HG      ARG  13  -3.257   1.972  11.514
   99    HG3  ARG  13           1HG      ARG  13  -4.370   3.295  11.178
  100    HD2  ARG  13           2HD      ARG  13  -4.501   1.516  13.615
  101    HD3  ARG  13           1HD      ARG  13  -3.748   3.109  13.579
  102    HE   ARG  13           HE       ARG  13  -6.463   3.130  12.676
  103   HH11  ARG  13          1HH1      ARG  13  -4.490   3.154  15.616
  104   HH12  ARG  13          2HH1      ARG  13  -5.614   4.043  16.533
  105   HH21  ARG  13          1HH2      ARG  13  -8.012   4.331  13.946
  106   HH22  ARG  13          2HH2      ARG  13  -7.652   4.729  15.566
  107    H    GLU  14           H        GLU  14  -4.132  -1.175   9.017
  108    HA   GLU  14           HA       GLU  14  -1.371  -0.423   9.156
  109    HB2  GLU  14           2HB      GLU  14  -2.784  -2.952   8.340
  110    HB3  GLU  14           1HB      GLU  14  -1.052  -2.777   8.200
  111    HG2  GLU  14           2HG      GLU  14  -1.555  -3.987  10.198
  112    HG3  GLU  14           1HG      GLU  14  -0.927  -2.405  10.636
  113    H    LEU  15           H        LEU  15  -3.730  -0.845   6.653
  114    HA   LEU  15           HA       LEU  15  -1.974  -0.651   4.423
  115    HB2  LEU  15           2HB      LEU  15  -4.801   0.318   4.739
  116    HB3  LEU  15           1HB      LEU  15  -3.943   0.294   3.212
  117    HG   LEU  15           HG       LEU  15  -4.585  -2.140   4.855
  118   HD11  LEU  15          1HD1      LEU  15  -5.924  -0.983   2.421
  119   HD12  LEU  15          2HD1      LEU  15  -6.611  -1.142   4.052
  120   HD13  LEU  15          3HD1      LEU  15  -6.238  -2.579   3.113
  121   HD21  LEU  15          3HD2      LEU  15  -2.637  -2.392   3.438
  122   HD22  LEU  15          1HD2      LEU  15  -3.579  -1.839   2.038
  123   HD23  LEU  15          2HD2      LEU  15  -4.018  -3.334   2.887
  124    H    VAL  16           H        VAL  16  -3.643   1.716   6.401
  125    HA   VAL  16           HA       VAL  16  -2.764   4.018   5.004
  126    HB   VAL  16           HB       VAL  16  -3.471   3.828   7.954
  127   HG11  VAL  16          1HG1      VAL  16  -2.380   5.922   7.384
  128   HG12  VAL  16          2HG1      VAL  16  -4.085   6.195   7.740
  129   HG13  VAL  16          3HG1      VAL  16  -3.525   6.182   6.068
  130   HG21  VAL  16          3HG2      VAL  16  -5.263   4.323   5.584
  131   HG22  VAL  16          1HG2      VAL  16  -5.740   4.497   7.273
  132   HG23  VAL  16          2HG2      VAL  16  -5.279   2.915   6.645
  133    H    ARG  17           H        ARG  17  -1.478   2.265   7.769
  134    HA   ARG  17           HA       ARG  17   0.745   3.806   8.394
  135    HB2  ARG  17           2HB      ARG  17   0.511   0.811   8.333
  136    HB3  ARG  17           1HB      ARG  17   1.842   1.644   9.090
  137    HG2  ARG  17           2HG      ARG  17  -1.044   1.720   9.896
  138    HG3  ARG  17           1HG      ARG  17   0.284   0.901  10.719
  139    HD2  ARG  17           2HD      ARG  17   1.343   3.121  11.070
  140    HD3  ARG  17           1HD      ARG  17  -0.111   3.870  10.397
  141    HE   ARG  17           HE       ARG  17  -0.691   2.040  12.461
  142   HH11  ARG  17          1HH1      ARG  17   0.218   5.390  11.841
  143   HH12  ARG  17          2HH1      ARG  17  -0.144   5.963  13.392
  144   HH21  ARG  17          1HH2      ARG  17  -1.220   2.765  14.613
  145   HH22  ARG  17          2HH2      ARG  17  -1.006   4.396  15.039
  146    H    ALA  18           H        ALA  18   0.576   1.147   6.152
  147    HA   ALA  18           HA       ALA  18   3.191   1.348   5.142
  148    HB1  ALA  18           1HB      ALA  18   0.770   0.228   3.738
  149    HB2  ALA  18           2HB      ALA  18   1.803  -0.653   4.862
  150    HB3  ALA  18           3HB      ALA  18   2.453  -0.093   3.322
  151    H    GLN  19           H        GLN  19   0.220   2.834   4.091
  152    HA   GLN  19           HA       GLN  19   1.128   4.050   1.722
  153    HB2  GLN  19           2HB      GLN  19  -1.096   4.422   3.637
  154    HB3  GLN  19           1HB      GLN  19  -0.888   5.647   2.418
  155    HG2  GLN  19           2HG      GLN  19  -1.227   3.995   0.680
  156    HG3  GLN  19           1HG      GLN  19  -1.180   2.690   1.867
  157   HE21  GLN  19          1HE2      GLN  19  -3.176   1.942   1.240
  158   HE22  GLN  19          2HE2      GLN  19  -4.648   2.766   1.613
  159    H    ILE  20           H        ILE  20   0.655   5.396   4.964
  160    HA   ILE  20           HA       ILE  20   1.776   7.918   4.377
  161    HB   ILE  20           HB       ILE  20   1.648   6.579   7.106
  162   HG12  ILE  20          2HG1      ILE  20  -0.570   6.640   6.122
  163   HG13  ILE  20          1HG1      ILE  20  -0.471   7.825   7.415
  164   HG21  ILE  20          1HG2      ILE  20   3.126   8.515   7.103
  165   HG22  ILE  20          2HG2      ILE  20   1.656   8.860   8.015
  166   HG23  ILE  20          3HG2      ILE  20   1.853   9.503   6.384
  167   HD11  ILE  20          3HD1      ILE  20  -1.703   8.722   5.551
  168   HD12  ILE  20          1HD1      ILE  20  -0.359   8.376   4.454
  169   HD13  ILE  20          2HD1      ILE  20  -0.172   9.583   5.724
  170    H    ALA  21           H        ALA  21   3.208   4.937   5.571
  171    HA   ALA  21           HA       ALA  21   5.788   6.003   6.044
  172    HB1  ALA  21           1HB      ALA  21   5.010   3.936   7.104
  173    HB2  ALA  21           2HB      ALA  21   6.527   3.702   6.233
  174    HB3  ALA  21           3HB      ALA  21   5.010   3.140   5.530
  175    H    ILE  22           H        ILE  22   4.262   4.615   3.174
  176    HA   ILE  22           HA       ILE  22   6.693   4.230   1.770
  177    HB   ILE  22           HB       ILE  22   4.436   3.175   1.049
  178   HG12  ILE  22          2HG1      ILE  22   6.080   4.651  -0.999
  179   HG13  ILE  22          1HG1      ILE  22   6.401   3.046  -0.351
  180   HG21  ILE  22          1HG2      ILE  22   3.960   5.867  -0.196
  181   HG22  ILE  22          2HG2      ILE  22   3.034   5.156   1.124
  182   HG23  ILE  22          3HG2      ILE  22   3.013   4.404  -0.472
  183   HD11  ILE  22          3HD1      ILE  22   4.023   3.851  -1.967
  184   HD12  ILE  22          1HD1      ILE  22   4.336   2.238  -1.358
  185   HD13  ILE  22          2HD1      ILE  22   5.403   2.943  -2.583
  186    H    CYS  23           H        CYS  23   4.504   6.926   2.058
  187    HA   CYS  23           HA       CYS  23   5.930   8.564   0.173
  188    HB2  CYS  23           2HB      CYS  23   3.759   9.055   2.157
  189    HB3  CYS  23           1HB      CYS  23   4.445  10.330   1.167
  190    H    GLY  24           H        GLY  24   5.974   8.003   3.513
  191    HA2  GLY  24           2HA      GLY  24   7.609  10.287   4.185
  192    HA3  GLY  24           1HA      GLY  24   7.216   8.953   5.258
  193    H    MET  25           H        MET  25   8.248   7.147   2.987
  194    HA   MET  25           HA       MET  25  11.065   7.683   3.268
  195    HB2  MET  25           2HB      MET  25  10.563   6.105   5.078
  196    HB3  MET  25           1HB      MET  25   9.807   5.007   3.934
  197    HG2  MET  25           2HG      MET  25  11.950   4.651   2.828
  198    HG3  MET  25           1HG      MET  25  12.724   5.786   3.926
  199    HE1  MET  25           3HE      MET  25  11.501   5.134   6.729
  200    HE2  MET  25           1HE      MET  25  13.237   5.286   6.469
  201    HE3  MET  25           2HE      MET  25  12.594   3.893   7.338
  202    H    SER  26           H        SER  26  10.576   8.398   1.230
  203    HA   SER  26           HA       SER  26  10.579   6.308  -0.829
  204    HB2  SER  26           2HB      SER  26  10.118   9.301  -1.037
  205    HB3  SER  26           1HB      SER  26  10.043   8.150  -2.372
  206    HG   SER  26           HG       SER  26   8.437   7.428  -0.265
  207    H    THR  27           H        THR  27  12.801   6.479   0.677
  208    HA   THR  27           HA       THR  27  14.693   8.433   0.090
  209    HB   THR  27           HB       THR  27  15.219   5.601   0.993
  210    HG1  THR  27           1HG      THR  27  14.266   7.906   2.361
  211   HG21  THR  27          3HG2      THR  27  17.128   6.621   2.176
  212   HG22  THR  27          1HG2      THR  27  16.686   8.203   1.533
  213   HG23  THR  27          2HG2      THR  27  17.236   6.932   0.444
  214    H    TRP  28           H        TRP  28  14.049   5.496  -1.271
  215    HA   TRP  28           HA       TRP  28  16.126   5.939  -3.336
  216    HB2  TRP  28           2HB      TRP  28  14.654   3.316  -2.935
  217    HB3  TRP  28           1HB      TRP  28  16.084   3.602  -3.908
  218    HD1  TRP  28           HD       TRP  28  15.061   2.431  -0.605
  219    HE1  TRP  28           1HE      TRP  28  17.071   2.222   0.982
  220    HE3  TRP  28           3HE      TRP  28  18.500   4.996  -3.365
  221    HZ2  TRP  28           2HZ      TRP  28  19.784   3.046   1.045
  222    HZ3  TRP  28           3HZ      TRP  28  20.782   5.246  -2.475
  223    HH2  TRP  28           HH       TRP  28  21.407   4.291  -0.317
  224    H    SER  29           H        SER  29  15.228   7.180  -4.812
  225    HA   SER  29           HA       SER  29  12.788   6.244  -6.121
  226    HB2  SER  29           2HB      SER  29  13.479   9.116  -5.431
  227    HB3  SER  29           1HB      SER  29  12.125   8.621  -6.446
  228    HG   SER  29           HG       SER  29  12.536   8.134  -3.684
  229    HN1  NH2  30           HT1      SER  29  13.710   5.438  -7.880
  230    HN2  NH2  30           HT2      SER  29  14.813   6.253  -8.937
  231    HA   PCA   1           HA       PCA   1 -13.984   3.084  -5.710
  232    HB2  PCA   1           2HB      PCA   1 -14.992   0.968  -7.345
  233    HB3  PCA   1           1HB      PCA   1 -15.952   2.051  -6.298
  234    HG2  PCA   1           2HG      PCA   1 -15.822   2.018  -9.184
  235    HG3  PCA   1           1HG      PCA   1 -16.750   3.151  -8.144
  236    H    LEU   2           H        LEU   2 -11.955   3.380  -7.704
  237    HA   LEU   2           HA       LEU   2 -10.706   0.740  -7.964
  238    HB2  LEU   2           2HB      LEU   2  -9.556   3.441  -8.726
  239    HB3  LEU   2           1HB      LEU   2  -8.766   1.913  -9.006
  240    HG   LEU   2           HG       LEU   2 -10.750   1.330 -10.507
  241   HD11  LEU   2          1HD1      LEU   2 -11.965   3.202 -11.485
  242   HD12  LEU   2          2HD1      LEU   2 -11.211   4.299 -10.328
  243   HD13  LEU   2          3HD1      LEU   2 -12.304   3.037  -9.763
  244   HD21  LEU   2          3HD2      LEU   2  -9.796   2.559 -12.398
  245   HD22  LEU   2          1HD2      LEU   2  -8.548   1.860 -11.366
  246   HD23  LEU   2          2HD2      LEU   2  -8.906   3.584 -11.274
  247    H    TYR   3           H        TYR   3 -10.165   3.707  -6.257
  248    HA   TYR   3           HA       TYR   3  -7.859   2.745  -4.888
  249    HB2  TYR   3           2HB      TYR   3  -9.640   5.094  -4.502
  250    HB3  TYR   3           1HB      TYR   3  -8.289   4.776  -3.427
  251    HD1  TYR   3           1HD      TYR   3  -6.034   4.183  -4.916
  252    HD2  TYR   3           2HD      TYR   3  -9.276   6.610  -6.194
  253    HE1  TYR   3           1HE      TYR   3  -4.576   5.255  -6.571
  254    HE2  TYR   3           2HE      TYR   3  -7.826   7.685  -7.855
  255    HH   TYR   3           HH       TYR   3  -5.378   8.086  -8.140
  256    H    SER   4           H        SER   4 -11.142   3.262  -3.972
  257    HA   SER   4           HA       SER   4 -11.204   2.087  -1.461
  258    HB2  SER   4           2HB      SER   4 -13.186   3.156  -2.488
  259    HB3  SER   4           1HB      SER   4 -13.307   1.831  -3.641
  260    HG   SER   4           HG       SER   4 -13.780   1.851  -0.874
  261    H    ALA   5           H        ALA   5 -11.229   0.503  -4.655
  262    HA   ALA   5           HA       ALA   5 -11.605  -2.133  -3.827
  263    HB1  ALA   5           1HB      ALA   5 -11.770  -1.416  -6.173
  264    HB2  ALA   5           2HB      ALA   5 -10.667  -2.781  -5.976
  265    HB3  ALA   5           3HB      ALA   5 -10.027  -1.154  -6.201
  266    H    LEU   6           H        LEU   6  -8.710  -0.169  -4.089
  267    HA   LEU   6           HA       LEU   6  -6.725  -2.071  -3.792
  268    HB2  LEU   6           2HB      LEU   6  -6.215   0.265  -4.276
  269    HB3  LEU   6           1HB      LEU   6  -6.806   0.752  -2.704
  270    HG   LEU   6           HG       LEU   6  -4.928  -0.486  -1.648
  271   HD11  LEU   6          1HD1      LEU   6  -4.038  -0.886  -4.484
  272   HD12  LEU   6          2HD1      LEU   6  -4.525  -2.138  -3.336
  273   HD13  LEU   6          3HD1      LEU   6  -3.058  -1.199  -3.056
  274   HD21  LEU   6          3HD2      LEU   6  -4.693   1.922  -2.060
  275   HD22  LEU   6          1HD2      LEU   6  -4.095   1.599  -3.683
  276   HD23  LEU   6          2HD2      LEU   6  -3.142   1.126  -2.287
  277    H    ALA   7           H        ALA   7  -8.644  -0.502  -1.283
  278    HA   ALA   7           HA       ALA   7  -7.209  -1.538   0.918
  279    HB1  ALA   7           1HB      ALA   7  -8.685   0.416   1.102
  280    HB2  ALA   7           2HB      ALA   7  -9.124  -0.835   2.267
  281    HB3  ALA   7           3HB      ALA   7 -10.083  -0.617   0.803
  282    H    ASN   8           H        ASN   8 -10.056  -2.625  -0.793
  283    HA   ASN   8           HA       ASN   8 -10.558  -4.849   0.938
  284    HB2  ASN   8           2HB      ASN   8 -11.548  -4.424  -1.886
  285    HB3  ASN   8           1HB      ASN   8 -12.173  -5.595  -0.738
  286   HD21  ASN   8          1HD2      ASN   8 -13.585  -3.557  -2.105
  287   HD22  ASN   8          2HD2      ASN   8 -14.265  -2.517  -0.923
  288    H    LYS   9           H        LYS   9  -9.041  -4.392  -2.176
  289    HA   LYS   9           HA       LYS   9  -8.683  -7.089  -2.838
  290    HB2  LYS   9           2HB      LYS   9  -8.401  -4.904  -4.284
  291    HB3  LYS   9           1HB      LYS   9  -6.768  -4.938  -3.669
  292    HG2  LYS   9           2HG      LYS   9  -6.781  -5.977  -5.821
  293    HG3  LYS   9           1HG      LYS   9  -6.483  -7.215  -4.597
  294    HD2  LYS   9           2HD      LYS   9  -8.862  -7.856  -4.676
  295    HD3  LYS   9           1HD      LYS   9  -9.143  -6.623  -5.903
  296    HE2  LYS   9           2HE      LYS   9  -7.568  -7.775  -7.378
  297    HE3  LYS   9           1HE      LYS   9  -7.335  -9.017  -6.151
  298    HZ1  LYS   9           3HZ      LYS   9  -9.852  -8.414  -7.615
  299    HZ2  LYS   9           1HZ      LYS   9  -9.761  -9.470  -6.306
  300    HZ3  LYS   9           2HZ      LYS   9  -8.921  -9.813  -7.707
  301    H    CYS  10           H        CYS  10  -6.631  -4.792  -1.140
  302    HA   CYS  10           HA       CYS  10  -4.396  -6.531  -0.868
  303    HB2  CYS  10           2HB      CYS  10  -4.566  -3.934  -0.550
  304    HB3  CYS  10           1HB      CYS  10  -5.088  -4.359   1.062
  305    H    CYS  11           H        CYS  11  -7.284  -5.923   1.043
  306    HA   CYS  11           HA       CYS  11  -6.330  -7.374   3.282
  307    HB2  CYS  11           2HB      CYS  11  -8.146  -5.538   3.173
  308    HB3  CYS  11           1HB      CYS  11  -9.220  -6.834   2.670
  309    H    HIS  12           H        HIS  12  -8.141  -8.173   0.381
  310    HA   HIS  12           HA       HIS  12  -8.780 -10.819   1.331
  311    HB2  HIS  12           2HB      HIS  12  -9.239  -9.408  -1.272
  312    HB3  HIS  12           1HB      HIS  12  -9.497 -11.138  -1.126
  313    HD1  HIS  12           1HD      HIS  12 -11.902 -11.702  -0.589
  314    HD2  HIS  12           2HD      HIS  12 -10.779  -7.970   0.842
  315    HE1  HIS  12           1HE      HIS  12 -13.960 -10.711   0.450
  316    H    VAL  13           H        VAL  13  -6.728  -9.558  -1.262
  317    HA   VAL  13           HA       VAL  13  -5.340 -12.131  -1.148
  318    HB   VAL  13           HB       VAL  13  -4.724 -11.806  -3.533
  319   HG11  VAL  13          1HG1      VAL  13  -6.550 -13.307  -2.905
  320   HG12  VAL  13          2HG1      VAL  13  -6.982 -12.478  -4.407
  321   HG13  VAL  13          3HG1      VAL  13  -7.672 -11.950  -2.873
  322   HG21  VAL  13          3HG2      VAL  13  -6.827  -9.637  -3.486
  323   HG22  VAL  13          1HG2      VAL  13  -6.099 -10.317  -4.942
  324   HG23  VAL  13          2HG2      VAL  13  -5.104  -9.419  -3.796
  325    H    GLY  14           H        GLY  14  -4.853  -8.779  -1.989
  326    HA2  GLY  14           2HA      GLY  14  -2.961  -8.011  -0.345
  327    HA3  GLY  14           1HA      GLY  14  -1.997  -8.966  -1.431
  328    H    CYS  15           H        CYS  15  -1.299  -6.500  -1.321
  329    HA   CYS  15           HA       CYS  15  -2.250  -5.339  -3.821
  330    HB2  CYS  15           2HB      CYS  15  -2.275  -3.137  -2.794
  331    HB3  CYS  15           1HB      CYS  15  -3.497  -4.202  -2.122
  332    H    THR  16           H        THR  16  -0.726  -3.649  -4.548
  333    HA   THR  16           HA       THR  16   1.919  -4.426  -3.725
  334    HB   THR  16           HB       THR  16   2.641  -3.282  -5.857
  335    HG1  THR  16           1HG      THR  16   0.112  -3.706  -6.881
  336   HG21  THR  16          3HG2      THR  16   0.827  -5.684  -6.060
  337   HG22  THR  16          1HG2      THR  16   2.545  -5.708  -5.669
  338   HG23  THR  16          2HG2      THR  16   2.015  -5.200  -7.272
  339    H    LYS  17           H        LYS  17   3.473  -2.951  -3.493
  340    HA   LYS  17           HA       LYS  17   2.756  -0.754  -1.816
  341    HB2  LYS  17           2HB      LYS  17   4.889  -2.233  -1.778
  342    HB3  LYS  17           1HB      LYS  17   5.533  -1.231  -3.041
  343    HG2  LYS  17           2HG      LYS  17   6.386  -0.693  -0.902
  344    HG3  LYS  17           1HG      LYS  17   5.538   0.696  -1.592
  345    HD2  LYS  17           2HD      LYS  17   4.970   0.564   0.742
  346    HD3  LYS  17           1HD      LYS  17   3.556   0.030  -0.146
  347    HE2  LYS  17           2HE      LYS  17   3.845  -1.458   1.713
  348    HE3  LYS  17           1HE      LYS  17   4.306  -2.350   0.270
  349    HZ1  LYS  17           3HZ      LYS  17   6.123  -1.163   2.310
  350    HZ2  LYS  17           1HZ      LYS  17   6.666  -1.790   0.843
  351    HZ3  LYS  17           2HZ      LYS  17   5.923  -2.794   1.918
  352    H    ARG  18           H        ARG  18   3.939  -0.883  -5.117
  353    HA   ARG  18           HA       ARG  18   3.914   1.805  -5.841
  354    HB2  ARG  18           2HB      ARG  18   3.139   0.925  -8.084
  355    HB3  ARG  18           1HB      ARG  18   4.688   0.292  -7.496
  356    HG2  ARG  18           2HG      ARG  18   3.435  -1.705  -6.745
  357    HG3  ARG  18           1HG      ARG  18   1.990  -1.047  -7.514
  358    HD2  ARG  18           2HD      ARG  18   4.593  -1.693  -8.895
  359    HD3  ARG  18           1HD      ARG  18   3.154  -2.709  -8.895
  360    HE   ARG  18           HE       ARG  18   2.169  -0.479  -9.866
  361   HH11  ARG  18          1HH1      ARG  18   5.268  -2.031 -10.677
  362   HH12  ARG  18          2HH1      ARG  18   5.182  -1.651 -12.336
  363   HH21  ARG  18          1HH2      ARG  18   2.060   0.029 -12.170
  364   HH22  ARG  18          2HH2      ARG  18   3.331  -0.423 -13.196
  365    H    SER  19           H        SER  19   1.353  -0.355  -5.492
  366    HA   SER  19           HA       SER  19  -0.670   1.226  -6.706
  367    HB2  SER  19           2HB      SER  19  -0.660  -1.252  -6.566
  368    HB3  SER  19           1HB      SER  19  -0.990  -1.143  -4.852
  369    HG   SER  19           HG       SER  19  -2.855  -1.439  -6.016
  370    H    LEU  20           H        LEU  20   0.390   0.680  -3.358
  371    HA   LEU  20           HA       LEU  20  -1.652   2.478  -2.287
  372    HB2  LEU  20           2HB      LEU  20   0.841   2.152  -0.699
  373    HB3  LEU  20           1HB      LEU  20  -0.812   2.172  -0.251
  374    HG   LEU  20           HG       LEU  20   0.282  -0.252  -1.579
  375   HD11  LEU  20          1HD1      LEU  20   1.616   0.252   0.449
  376   HD12  LEU  20          2HD1      LEU  20   0.616  -1.183   0.644
  377   HD13  LEU  20          3HD1      LEU  20   0.122   0.342   1.385
  378   HD21  LEU  20          3HD2      LEU  20  -2.119   0.345   0.132
  379   HD22  LEU  20          1HD2      LEU  20  -1.548  -1.280  -0.285
  380   HD23  LEU  20          2HD2      LEU  20  -2.035  -0.196  -1.562
  381    H    ALA  21           H        ALA  21   1.466   2.694  -3.546
  382    HA   ALA  21           HA       ALA  21   2.210   5.276  -2.693
  383    HB1  ALA  21           1HB      ALA  21   3.731   3.752  -3.947
  384    HB2  ALA  21           2HB      ALA  21   3.709   5.392  -4.586
  385    HB3  ALA  21           3HB      ALA  21   2.819   4.113  -5.409
  386    H    ARG  22           H        ARG  22   0.228   4.288  -5.410
  387    HA   ARG  22           HA       ARG  22  -0.105   6.991  -6.326
  388    HB2  ARG  22           2HB      ARG  22  -1.618   6.084  -8.025
  389    HB3  ARG  22           1HB      ARG  22  -0.126   5.167  -7.944
  390    HG2  ARG  22           2HG      ARG  22  -1.377   3.509  -6.515
  391    HG3  ARG  22           1HG      ARG  22  -2.846   4.370  -6.965
  392    HD2  ARG  22           2HD      ARG  22  -0.888   3.060  -8.840
  393    HD3  ARG  22           1HD      ARG  22  -2.480   2.454  -8.414
  394    HE   ARG  22           HE       ARG  22  -3.315   4.590  -9.475
  395   HH11  ARG  22          1HH1      ARG  22  -0.240   3.150 -10.512
  396   HH12  ARG  22          2HH1      ARG  22  -0.451   3.561 -12.151
  397   HH21  ARG  22          1HH2      ARG  22  -3.565   5.168 -11.734
  398   HH22  ARG  22          2HH2      ARG  22  -2.361   4.704 -12.867
  399    H    PHE  23           H        PHE  23  -1.288   5.611  -3.703
  400    HA   PHE  23           HA       PHE  23  -3.770   7.198  -3.779
  401    HB2  PHE  23           2HB      PHE  23  -3.965   4.684  -3.325
  402    HB3  PHE  23           1HB      PHE  23  -3.107   4.967  -1.856
  403    HD1  PHE  23           1HD      PHE  23  -5.957   6.728  -3.508
  404    HD2  PHE  23           2HD      PHE  23  -4.419   4.899   0.007
  405    HE1  PHE  23           1HE      PHE  23  -8.034   7.278  -2.319
  406    HE2  PHE  23           2HE      PHE  23  -6.496   5.447   1.198
  407    HZ   PHE  23           HZ       PHE  23  -8.304   6.636   0.038
  408    H    CYS  24           H        CYS  24  -1.638   5.889  -1.457
  409    HA   CYS  24           HA       CYS  24  -0.455   6.642   0.326
  410    HB2  CYS  24           2HB      CYS  24   0.704   7.994  -1.404
  411    HB3  CYS  24           1HB      CYS  24  -0.425   9.307  -1.108
  412    HN1  NH2  25           HT1      CYS  24  -2.288   9.626  -0.251
  413    HN2  NH2  25           HT2      CYS  24  -3.049   9.633   1.302
  Start of MODEL   20
    1    H1   ASP   1           1HT      ASP   1  14.032   4.373  -2.492
    2    H2   ASP   1           2HT      ASP   1  14.762   3.460  -3.670
    3    H3   ASP   1           3HT      ASP   1  14.045   2.698  -2.350
    4    HA   ASP   1           HA       ASP   1  11.864   3.619  -3.088
    5    HB2  ASP   1           2HB      ASP   1  11.708   4.489  -5.283
    6    HB3  ASP   1           1HB      ASP   1  12.779   5.552  -4.335
    7    H    SER   2           H        SER   2  14.393   1.811  -4.604
    8    HA   SER   2           HA       SER   2  12.978   0.336  -6.467
    9    HB2  SER   2           2HB      SER   2  15.252  -0.755  -4.822
   10    HB3  SER   2           1HB      SER   2  14.838  -1.150  -6.492
   11    HG   SER   2           HG       SER   2  15.336   1.005  -7.058
   12    H    TRP   3           H        TRP   3  12.786   0.175  -3.276
   13    HA   TRP   3           HA       TRP   3  11.818  -2.508  -2.865
   14    HB2  TRP   3           2HB      TRP   3  11.155  -1.663  -0.562
   15    HB3  TRP   3           1HB      TRP   3  12.864  -1.547  -0.952
   16    HD1  TRP   3           HD       TRP   3  13.950   0.782  -0.666
   17    HE1  TRP   3           1HE      TRP   3  13.093   3.156  -0.151
   18    HE3  TRP   3           3HE      TRP   3   8.923  -0.062  -0.997
   19    HZ2  TRP   3           2HZ      TRP   3  10.622   4.485   0.089
   20    HZ3  TRP   3           3HZ      TRP   3   7.403   1.746  -0.634
   21    HH2  TRP   3           HH       TRP   3   8.218   4.029  -0.085
   22    H    MET   4           H        MET   4  10.403   0.216  -4.201
   23    HA   MET   4           HA       MET   4   7.795   0.114  -3.134
   24    HB2  MET   4           2HB      MET   4   8.763   1.173  -5.773
   25    HB3  MET   4           1HB      MET   4   7.103   1.309  -5.221
   26    HG2  MET   4           2HG      MET   4   7.861   2.618  -3.298
   27    HG3  MET   4           1HG      MET   4   9.520   2.487  -3.877
   28    HE1  MET   4           3HE      MET   4   8.955   2.776  -7.139
   29    HE2  MET   4           1HE      MET   4  10.326   3.448  -6.253
   30    HE3  MET   4           2HE      MET   4   9.334   4.488  -7.271
   31    H    GLU   5           H        GLU   5   9.349  -1.751  -5.578
   32    HA   GLU   5           HA       GLU   5   6.836  -2.927  -6.297
   33    HB2  GLU   5           2HB      GLU   5   9.638  -3.789  -6.994
   34    HB3  GLU   5           1HB      GLU   5   8.185  -4.615  -7.540
   35    HG2  GLU   5           2HG      GLU   5   7.487  -2.361  -8.492
   36    HG3  GLU   5           1HG      GLU   5   9.165  -1.887  -8.245
   37    H    GLU   6           H        GLU   6   6.054  -3.468  -4.452
   38    HA   GLU   6           HA       GLU   6   7.045  -5.908  -3.250
   39    HB2  GLU   6           2HB      GLU   6   7.818  -3.797  -1.939
   40    HB3  GLU   6           1HB      GLU   6   6.106  -3.546  -1.677
   41    HG2  GLU   6           2HG      GLU   6   5.862  -5.532  -0.427
   42    HG3  GLU   6           1HG      GLU   6   7.504  -6.033  -0.819
   43    H    VAL   7           H        VAL   7   5.352  -6.792  -2.022
   44    HA   VAL   7           HA       VAL   7   2.681  -5.881  -2.571
   45    HB   VAL   7           HB       VAL   7   3.112  -7.347  -4.496
   46   HG11  VAL   7          1HG1      VAL   7   3.719  -9.528  -2.514
   47   HG12  VAL   7          2HG1      VAL   7   4.856  -8.769  -3.628
   48   HG13  VAL   7          3HG1      VAL   7   3.530  -9.750  -4.253
   49   HG21  VAL   7          3HG2      VAL   7   0.856  -7.312  -3.593
   50   HG22  VAL   7          1HG2      VAL   7   1.248  -8.645  -2.509
   51   HG23  VAL   7          2HG2      VAL   7   1.239  -8.897  -4.258
   52    H    ILE   8           H        ILE   8   1.569  -5.989  -0.831
   53    HA   ILE   8           HA       ILE   8   2.378  -7.859   1.278
   54    HB   ILE   8           HB       ILE   8   1.880  -6.100   2.952
   55   HG12  ILE   8          2HG1      ILE   8   1.655  -4.354   0.505
   56   HG13  ILE   8          1HG1      ILE   8   0.391  -4.705   1.660
   57   HG21  ILE   8          1HG2      ILE   8   4.188  -6.516   2.341
   58   HG22  ILE   8          2HG2      ILE   8   3.945  -4.797   2.658
   59   HG23  ILE   8          3HG2      ILE   8   4.060  -5.379   0.998
   60   HD11  ILE   8          3HD1      ILE   8   2.874  -3.097   2.213
   61   HD12  ILE   8          1HD1      ILE   8   1.621  -3.477   3.392
   62   HD13  ILE   8          2HD1      ILE   8   1.243  -2.464   2.000
   63    H    LYS   9           H        LYS   9   0.614  -7.816   2.990
   64    HA   LYS   9           HA       LYS   9  -2.021  -7.600   1.764
   65    HB2  LYS   9           2HB      LYS   9  -1.298  -9.967   1.607
   66    HB3  LYS   9           1HB      LYS   9  -1.026  -9.989   3.342
   67    HG2  LYS   9           2HG      LYS   9  -3.420  -9.584   3.708
   68    HG3  LYS   9           1HG      LYS   9  -3.676  -9.608   1.963
   69    HD2  LYS   9           2HD      LYS   9  -2.824 -11.911   1.889
   70    HD3  LYS   9           1HD      LYS   9  -2.618 -11.877   3.640
   71    HE2  LYS   9           2HE      LYS   9  -5.216 -11.563   2.152
   72    HE3  LYS   9           1HE      LYS   9  -4.697 -13.003   3.013
   73    HZ1  LYS   9           3HZ      LYS   9  -5.348 -10.355   4.188
   74    HZ2  LYS   9           1HZ      LYS   9  -4.695 -11.637   5.080
   75    HZ3  LYS   9           2HZ      LYS   9  -6.199 -11.773   4.350
   76    H    LEU  10           H        LEU  10  -2.482  -5.825   2.979
   77    HA   LEU  10           HA       LEU  10  -2.554  -6.146   5.912
   78    HB2  LEU  10           2HB      LEU  10  -1.614  -3.816   4.283
   79    HB3  LEU  10           1HB      LEU  10  -2.384  -3.542   5.814
   80    HG   LEU  10           HG       LEU  10  -0.686  -4.741   6.983
   81   HD11  LEU  10          1HD1      LEU  10  -0.023  -6.393   5.296
   82   HD12  LEU  10          2HD1      LEU  10   1.401  -5.487   5.825
   83   HD13  LEU  10          3HD1      LEU  10   0.628  -5.111   4.282
   84   HD21  LEU  10          3HD2      LEU  10   0.559  -2.790   5.082
   85   HD22  LEU  10          1HD2      LEU  10   1.171  -3.220   6.670
   86   HD23  LEU  10          2HD2      LEU  10  -0.361  -2.347   6.509
   87    H    CYS  11           H        CYS  11  -3.964  -4.361   6.793
   88    HA   CYS  11           HA       CYS  11  -6.294  -3.909   5.074
   89    HB2  CYS  11           2HB      CYS  11  -6.635  -5.157   7.773
   90    HB3  CYS  11           1HB      CYS  11  -7.881  -4.781   6.609
   91    H    GLY  12           H        GLY  12  -7.735  -2.389   5.894
   92    HA2  GLY  12           2HA      GLY  12  -8.345  -0.358   6.861
   93    HA3  GLY  12           1HA      GLY  12  -7.956  -1.213   8.319
   94    H    ARG  13           H        ARG  13  -6.726  -0.310   9.513
   95    HA   ARG  13           HA       ARG  13  -5.464   2.170   8.966
   96    HB2  ARG  13           2HB      ARG  13  -5.371   0.369  11.374
   97    HB3  ARG  13           1HB      ARG  13  -4.690   1.991  11.325
   98    HG2  ARG  13           2HG      ARG  13  -6.846   2.969  11.001
   99    HG3  ARG  13           1HG      ARG  13  -7.592   1.385  10.784
  100    HD2  ARG  13           2HD      ARG  13  -7.996   2.356  13.017
  101    HD3  ARG  13           1HD      ARG  13  -7.140   0.819  13.085
  102    HE   ARG  13           HE       ARG  13  -5.750   3.397  13.254
  103   HH11  ARG  13          1HH1      ARG  13  -6.377   0.159  14.582
  104   HH12  ARG  13          2HH1      ARG  13  -5.155   0.240  15.747
  105   HH21  ARG  13          1HH2      ARG  13  -4.116   3.524  14.848
  106   HH22  ARG  13          2HH2      ARG  13  -3.840   2.239  15.927
  107    H    GLU  14           H        GLU  14  -4.319  -1.139   8.991
  108    HA   GLU  14           HA       GLU  14  -1.543  -0.487   9.097
  109    HB2  GLU  14           2HB      GLU  14  -3.085  -2.922   8.206
  110    HB3  GLU  14           1HB      GLU  14  -1.335  -2.836   8.127
  111    HG2  GLU  14           2HG      GLU  14  -2.996  -2.587  10.618
  112    HG3  GLU  14           1HG      GLU  14  -2.090  -4.016  10.109
  113    H    LEU  15           H        LEU  15  -3.958  -0.827   6.627
  114    HA   LEU  15           HA       LEU  15  -2.282  -0.658   4.345
  115    HB2  LEU  15           2HB      LEU  15  -5.083   0.392   4.749
  116    HB3  LEU  15           1HB      LEU  15  -4.275   0.312   3.198
  117    HG   LEU  15           HG       LEU  15  -4.847  -2.098   4.897
  118   HD11  LEU  15          1HD1      LEU  15  -6.658  -2.540   3.328
  119   HD12  LEU  15          2HD1      LEU  15  -6.415  -0.940   2.596
  120   HD13  LEU  15          3HD1      LEU  15  -6.930  -1.091   4.281
  121   HD21  LEU  15          3HD2      LEU  15  -4.104  -1.808   1.999
  122   HD22  LEU  15          1HD2      LEU  15  -4.438  -3.298   2.883
  123   HD23  LEU  15          2HD2      LEU  15  -3.024  -2.333   3.303
  124    H    VAL  16           H        VAL  16  -3.797   1.751   6.374
  125    HA   VAL  16           HA       VAL  16  -2.840   4.043   4.983
  126    HB   VAL  16           HB       VAL  16  -3.443   3.839   7.949
  127   HG11  VAL  16          1HG1      VAL  16  -2.271   5.876   7.339
  128   HG12  VAL  16          2HG1      VAL  16  -3.941   6.233   7.776
  129   HG13  VAL  16          3HG1      VAL  16  -3.461   6.205   6.080
  130   HG21  VAL  16          3HG2      VAL  16  -5.718   4.609   7.383
  131   HG22  VAL  16          1HG2      VAL  16  -5.353   3.025   6.698
  132   HG23  VAL  16          2HG2      VAL  16  -5.318   4.454   5.672
  133    H    ARG  17           H        ARG  17  -1.548   2.158   7.666
  134    HA   ARG  17           HA       ARG  17   0.751   3.668   8.137
  135    HB2  ARG  17           2HB      ARG  17   0.254   0.727   8.464
  136    HB3  ARG  17           1HB      ARG  17   1.742   1.463   8.999
  137    HG2  ARG  17           2HG      ARG  17   0.398   2.944  10.480
  138    HG3  ARG  17           1HG      ARG  17  -1.035   2.042   9.984
  139    HD2  ARG  17           2HD      ARG  17  -0.207   1.180  12.087
  140    HD3  ARG  17           1HD      ARG  17  -0.008  -0.022  10.819
  141    HE   ARG  17           HE       ARG  17   2.316   1.579  11.185
  142   HH11  ARG  17          1HH1      ARG  17   0.606  -1.317  12.304
  143   HH12  ARG  17          2HH1      ARG  17   1.923  -1.961  13.168
  144   HH21  ARG  17          1HH2      ARG  17   4.175   0.670  12.355
  145   HH22  ARG  17          2HH2      ARG  17   4.011  -0.807  13.183
  146    H    ALA  18           H        ALA  18   0.224   1.074   5.889
  147    HA   ALA  18           HA       ALA  18   2.872   0.973   4.849
  148    HB1  ALA  18           1HB      ALA  18   0.283   0.136   3.550
  149    HB2  ALA  18           2HB      ALA  18   1.308  -0.873   4.571
  150    HB3  ALA  18           3HB      ALA  18   1.897  -0.316   3.003
  151    H    GLN  19           H        GLN  19   0.009   2.727   3.958
  152    HA   GLN  19           HA       GLN  19   0.922   3.965   1.621
  153    HB2  GLN  19           2HB      GLN  19  -1.096   4.555   3.698
  154    HB3  GLN  19           1HB      GLN  19  -0.888   5.746   2.458
  155    HG2  GLN  19           2HG      GLN  19  -1.373   3.997   0.794
  156    HG3  GLN  19           1HG      GLN  19  -1.592   2.819   2.098
  157   HE21  GLN  19          1HE2      GLN  19  -3.430   3.483   0.077
  158   HE22  GLN  19          2HE2      GLN  19  -4.820   4.168   0.838
  159    H    ILE  20           H        ILE  20   0.732   5.197   4.911
  160    HA   ILE  20           HA       ILE  20   2.230   7.536   4.628
  161    HB   ILE  20           HB       ILE  20   2.067   5.686   7.033
  162   HG12  ILE  20          2HG1      ILE  20  -0.112   6.529   6.384
  163   HG13  ILE  20          1HG1      ILE  20   0.389   7.290   7.886
  164   HG21  ILE  20          1HG2      ILE  20   2.751   7.580   8.427
  165   HG22  ILE  20          2HG2      ILE  20   3.032   8.535   6.973
  166   HG23  ILE  20          3HG2      ILE  20   4.012   7.101   7.290
  167   HD11  ILE  20          3HD1      ILE  20  -0.687   8.888   6.427
  168   HD12  ILE  20          1HD1      ILE  20   0.466   8.538   5.139
  169   HD13  ILE  20          2HD1      ILE  20   1.015   9.308   6.628
  170    H    ALA  21           H        ALA  21   3.313   4.249   5.162
  171    HA   ALA  21           HA       ALA  21   6.047   4.710   5.531
  172    HB1  ALA  21           1HB      ALA  21   4.950   2.581   6.042
  173    HB2  ALA  21           2HB      ALA  21   6.354   2.357   4.992
  174    HB3  ALA  21           3HB      ALA  21   4.729   2.294   4.319
  175    H    ILE  22           H        ILE  22   4.136   4.501   2.607
  176    HA   ILE  22           HA       ILE  22   6.496   4.285   0.970
  177    HB   ILE  22           HB       ILE  22   4.117   3.244   0.510
  178   HG12  ILE  22          2HG1      ILE  22   6.019   3.017  -1.001
  179   HG13  ILE  22          1HG1      ILE  22   4.490   3.124  -1.867
  180   HG21  ILE  22          1HG2      ILE  22   2.866   5.308   0.650
  181   HG22  ILE  22          2HG2      ILE  22   2.614   4.414  -0.831
  182   HG23  ILE  22          3HG2      ILE  22   3.636   5.867  -0.845
  183   HD11  ILE  22          3HD1      ILE  22   6.261   4.311  -3.035
  184   HD12  ILE  22          1HD1      ILE  22   6.591   5.276  -1.594
  185   HD13  ILE  22          2HD1      ILE  22   5.058   5.458  -2.444
  186    H    CYS  23           H        CYS  23   4.333   6.727   2.058
  187    HA   CYS  23           HA       CYS  23   5.268   8.751   0.258
  188    HB2  CYS  23           2HB      CYS  23   3.533   8.746   2.655
  189    HB3  CYS  23           1HB      CYS  23   4.272  10.266   2.170
  190    H    GLY  24           H        GLY  24   6.359   7.579   3.294
  191    HA2  GLY  24           2HA      GLY  24   8.410   9.642   3.336
  192    HA3  GLY  24           1HA      GLY  24   8.151   8.405   4.578
  193    H    MET  25           H        MET  25   9.006   6.536   4.391
  194    HA   MET  25           HA       MET  25   9.890   5.151   2.150
  195    HB2  MET  25           2HB      MET  25  12.342   5.339   2.205
  196    HB3  MET  25           1HB      MET  25  11.607   6.888   1.844
  197    HG2  MET  25           2HG      MET  25  12.014   7.616   4.146
  198    HG3  MET  25           1HG      MET  25  12.733   6.047   4.514
  199    HE1  MET  25           3HE      MET  25  14.924   7.233   5.412
  200    HE2  MET  25           1HE      MET  25  14.215   8.810   5.064
  201    HE3  MET  25           2HE      MET  25  15.842   8.428   4.497
  202    H    SER  26           H        SER  26   8.612   4.739   4.594
  203    HA   SER  26           HA       SER  26  10.393   3.757   6.577
  204    HB2  SER  26           2HB      SER  26   7.445   3.300   6.535
  205    HB3  SER  26           1HB      SER  26   8.506   3.638   7.907
  206    HG   SER  26           HG       SER  26   7.757   5.600   7.593
  207    H    THR  27           H        THR  27   9.602   2.427   3.857
  208    HA   THR  27           HA       THR  27   9.323  -0.338   4.762
  209    HB   THR  27           HB       THR  27   9.712   0.738   1.964
  210    HG1  THR  27           1HG      THR  27   7.484   0.516   3.614
  211   HG21  THR  27          3HG2      THR  27   8.742  -1.413   1.210
  212   HG22  THR  27          1HG2      THR  27   8.646  -1.946   2.888
  213   HG23  THR  27          2HG2      THR  27  10.219  -1.664   2.143
  214    H    TRP  28           H        TRP  28  11.538   1.895   4.098
  215    HA   TRP  28           HA       TRP  28  13.808   0.062   3.703
  216    HB2  TRP  28           2HB      TRP  28  13.289   1.601   1.818
  217    HB3  TRP  28           1HB      TRP  28  13.469   2.959   2.910
  218    HD1  TRP  28           HD       TRP  28  15.519   0.272   1.111
  219    HE1  TRP  28           1HE      TRP  28  17.949   1.102   0.936
  220    HE3  TRP  28           3HE      TRP  28  15.143   4.488   3.959
  221    HZ2  TRP  28           2HZ      TRP  28  19.498   3.253   1.885
  222    HZ3  TRP  28           3HZ      TRP  28  17.137   5.880   4.272
  223    HH2  TRP  28           HH       TRP  28  19.273   5.275   3.255
  224    H    SER  29           H        SER  29  15.387   0.207   5.233
  225    HA   SER  29           HA       SER  29  15.001   2.161   7.359
  226    HB2  SER  29           2HB      SER  29  16.542  -0.449   7.414
  227    HB3  SER  29           1HB      SER  29  16.275   0.624   8.789
  228    HG   SER  29           HG       SER  29  14.448  -0.965   7.375
  229    HN1  NH2  30           HT1      SER  29  16.252   3.854   7.156
  230    HN2  NH2  30           HT2      SER  29  17.848   3.910   6.489
  231    HA   PCA   1           HA       PCA   1 -13.079   3.992  -7.807
  232    HB2  PCA   1           2HB      PCA   1 -12.840   3.673  -4.970
  233    HB3  PCA   1           1HB      PCA   1 -13.497   5.085  -5.838
  234    HG2  PCA   1           2HG      PCA   1 -14.944   3.191  -4.261
  235    HG3  PCA   1           1HG      PCA   1 -15.646   4.474  -5.310
  236    H    LEU   2           H        LEU   2 -11.140   3.277  -8.240
  237    HA   LEU   2           HA       LEU   2 -10.362   0.586  -7.726
  238    HB2  LEU   2           2HB      LEU   2  -8.719   2.888  -8.784
  239    HB3  LEU   2           1HB      LEU   2  -8.124   1.256  -8.647
  240    HG   LEU   2           HG       LEU   2  -8.631   1.589 -10.905
  241   HD11  LEU   2          1HD1      LEU   2 -10.366  -0.018 -11.410
  242   HD12  LEU   2          2HD1      LEU   2 -10.912   0.043  -9.736
  243   HD13  LEU   2          3HD1      LEU   2  -9.298  -0.563 -10.115
  244   HD21  LEU   2          3HD2      LEU   2 -10.824   2.345 -11.749
  245   HD22  LEU   2          1HD2      LEU   2 -10.011   3.569 -10.772
  246   HD23  LEU   2          2HD2      LEU   2 -11.334   2.636 -10.083
  247    H    TYR   3           H        TYR   3  -9.784   3.585  -6.165
  248    HA   TYR   3           HA       TYR   3  -7.574   2.757  -4.583
  249    HB2  TYR   3           2HB      TYR   3  -9.591   4.929  -4.225
  250    HB3  TYR   3           1HB      TYR   3  -8.185   4.744  -3.193
  251    HD1  TYR   3           1HD      TYR   3  -6.038   4.177  -5.121
  252    HD2  TYR   3           2HD      TYR   3  -9.342   6.836  -5.473
  253    HE1  TYR   3           1HE      TYR   3  -4.772   5.525  -6.730
  254    HE2  TYR   3           2HE      TYR   3  -8.087   8.190  -7.085
  255    HH   TYR   3           HH       TYR   3  -5.252   7.127  -8.579
  256    H    SER   4           H        SER   4 -10.971   3.192  -3.804
  257    HA   SER   4           HA       SER   4 -11.008   1.967  -1.315
  258    HB2  SER   4           2HB      SER   4 -13.200   1.805  -3.391
  259    HB3  SER   4           1HB      SER   4 -13.384   1.792  -1.634
  260    HG   SER   4           HG       SER   4 -12.356   3.943  -1.725
  261    H    ALA   5           H        ALA   5 -11.243   0.547  -4.566
  262    HA   ALA   5           HA       ALA   5 -11.704  -2.141  -3.834
  263    HB1  ALA   5           1HB      ALA   5 -10.979  -2.695  -6.082
  264    HB2  ALA   5           2HB      ALA   5 -10.252  -1.101  -6.265
  265    HB3  ALA   5           3HB      ALA   5 -12.003  -1.258  -6.132
  266    H    LEU   6           H        LEU   6  -8.772  -0.249  -4.166
  267    HA   LEU   6           HA       LEU   6  -6.828  -2.223  -3.996
  268    HB2  LEU   6           2HB      LEU   6  -6.215   0.031  -4.523
  269    HB3  LEU   6           1HB      LEU   6  -6.898   0.636  -3.033
  270    HG   LEU   6           HG       LEU   6  -5.089  -0.555  -1.795
  271   HD11  LEU   6          1HD1      LEU   6  -3.979  -0.999  -4.540
  272   HD12  LEU   6          2HD1      LEU   6  -4.524  -2.239  -3.406
  273   HD13  LEU   6          3HD1      LEU   6  -3.112  -1.247  -3.027
  274   HD21  LEU   6          3HD2      LEU   6  -4.190   1.484  -3.828
  275   HD22  LEU   6          1HD2      LEU   6  -3.332   1.068  -2.347
  276   HD23  LEU   6          2HD2      LEU   6  -4.917   1.827  -2.258
  277    H    ALA   7           H        ALA   7  -8.499  -0.473  -1.423
  278    HA   ALA   7           HA       ALA   7  -7.112  -1.560   0.753
  279    HB1  ALA   7           1HB      ALA   7  -9.976  -0.605   0.648
  280    HB2  ALA   7           2HB      ALA   7  -8.564   0.409   0.943
  281    HB3  ALA   7           3HB      ALA   7  -9.021  -0.829   2.113
  282    H    ASN   8           H        ASN   8 -10.173  -2.508  -0.686
  283    HA   ASN   8           HA       ASN   8 -10.683  -4.789   0.863
  284    HB2  ASN   8           2HB      ASN   8 -12.417  -3.797  -0.522
  285    HB3  ASN   8           1HB      ASN   8 -11.496  -4.135  -1.979
  286   HD21  ASN   8          1HD2      ASN   8 -11.629  -6.151  -2.896
  287   HD22  ASN   8          2HD2      ASN   8 -12.685  -7.379  -2.344
  288    H    LYS   9           H        LYS   9  -8.998  -4.417  -2.188
  289    HA   LYS   9           HA       LYS   9  -8.485  -7.128  -2.741
  290    HB2  LYS   9           2HB      LYS   9  -8.253  -5.224  -4.395
  291    HB3  LYS   9           1HB      LYS   9  -6.864  -4.707  -3.491
  292    HG2  LYS   9           2HG      LYS   9  -5.669  -6.739  -4.026
  293    HG3  LYS   9           1HG      LYS   9  -7.066  -7.337  -4.924
  294    HD2  LYS   9           2HD      LYS   9  -6.901  -5.449  -6.458
  295    HD3  LYS   9           1HD      LYS   9  -5.530  -4.818  -5.547
  296    HE2  LYS   9           2HE      LYS   9  -5.594  -7.497  -6.931
  297    HE3  LYS   9           1HE      LYS   9  -4.856  -6.040  -7.591
  298    HZ1  LYS   9           3HZ      LYS   9  -3.257  -6.027  -5.873
  299    HZ2  LYS   9           1HZ      LYS   9  -3.280  -7.564  -6.490
  300    HZ3  LYS   9           2HZ      LYS   9  -3.989  -7.245  -4.990
  301    H    CYS  10           H        CYS  10  -6.527  -4.718  -1.088
  302    HA   CYS  10           HA       CYS  10  -4.268  -6.420  -0.781
  303    HB2  CYS  10           2HB      CYS  10  -4.445  -3.829  -0.633
  304    HB3  CYS  10           1HB      CYS  10  -4.944  -4.130   1.016
  305    H    CYS  11           H        CYS  11  -7.133  -5.799   1.130
  306    HA   CYS  11           HA       CYS  11  -6.115  -7.151   3.405
  307    HB2  CYS  11           2HB      CYS  11  -7.903  -5.389   3.441
  308    HB3  CYS  11           1HB      CYS  11  -8.998  -6.570   2.742
  309    H    HIS  12           H        HIS  12  -8.075  -8.043   0.602
  310    HA   HIS  12           HA       HIS  12  -8.683 -10.636   1.672
  311    HB2  HIS  12           2HB      HIS  12  -9.146  -9.335  -0.988
  312    HB3  HIS  12           1HB      HIS  12  -9.419 -11.056  -0.779
  313    HD1  HIS  12           1HD      HIS  12 -11.989 -11.171  -0.786
  314    HD2  HIS  12           2HD      HIS  12 -10.482  -8.198   1.675
  315    HE1  HIS  12           1HE      HIS  12 -13.972 -10.220   0.429
  316    H    VAL  13           H        VAL  13  -6.625  -9.464  -0.903
  317    HA   VAL  13           HA       VAL  13  -5.189 -12.001  -0.705
  318    HB   VAL  13           HB       VAL  13  -4.646 -11.782  -3.133
  319   HG11  VAL  13          1HG1      VAL  13  -6.829 -12.729  -3.830
  320   HG12  VAL  13          2HG1      VAL  13  -7.553 -12.065  -2.360
  321   HG13  VAL  13          3HG1      VAL  13  -6.347 -13.343  -2.243
  322   HG21  VAL  13          3HG2      VAL  13  -6.199 -10.478  -4.554
  323   HG22  VAL  13          1HG2      VAL  13  -5.234  -9.442  -3.503
  324   HG23  VAL  13          2HG2      VAL  13  -6.916  -9.782  -3.101
  325    H    GLY  14           H        GLY  14  -4.776  -8.682  -1.787
  326    HA2  GLY  14           2HA      GLY  14  -2.772  -7.848  -0.279
  327    HA3  GLY  14           1HA      GLY  14  -1.897  -8.891  -1.360
  328    H    CYS  15           H        CYS  15  -1.168  -6.383  -1.317
  329    HA   CYS  15           HA       CYS  15  -2.115  -5.331  -3.862
  330    HB2  CYS  15           2HB      CYS  15  -2.165  -3.100  -2.948
  331    HB3  CYS  15           1HB      CYS  15  -3.378  -4.142  -2.230
  332    H    THR  16           H        THR  16  -0.625  -3.754  -4.749
  333    HA   THR  16           HA       THR  16   2.052  -4.349  -3.934
  334    HB   THR  16           HB       THR  16   2.613  -3.123  -6.088
  335    HG1  THR  16           1HG      THR  16   0.891  -2.867  -7.523
  336   HG21  THR  16          3HG2      THR  16   0.896  -5.604  -6.215
  337   HG22  THR  16          1HG2      THR  16   2.634  -5.561  -5.932
  338   HG23  THR  16          2HG2      THR  16   1.981  -5.051  -7.490
  339    H    LYS  17           H        LYS  17   3.471  -2.881  -3.440
  340    HA   LYS  17           HA       LYS  17   2.644  -0.704  -1.792
  341    HB2  LYS  17           2HB      LYS  17   4.744  -2.043  -1.555
  342    HB3  LYS  17           1HB      LYS  17   5.428  -1.235  -2.919
  343    HG2  LYS  17           2HG      LYS  17   6.278  -0.450  -0.867
  344    HG3  LYS  17           1HG      LYS  17   5.518   0.863  -1.785
  345    HD2  LYS  17           2HD      LYS  17   4.928   1.160   0.527
  346    HD3  LYS  17           1HD      LYS  17   3.493   0.544  -0.275
  347    HE2  LYS  17           2HE      LYS  17   3.790  -0.536   1.875
  348    HE3  LYS  17           1HE      LYS  17   4.021  -1.711   0.586
  349    HZ1  LYS  17           3HZ      LYS  17   5.604  -1.634   2.548
  350    HZ2  LYS  17           1HZ      LYS  17   6.369  -0.350   1.829
  351    HZ3  LYS  17           2HZ      LYS  17   6.281  -1.911   1.090
  352    H    ARG  18           H        ARG  18   3.839  -0.762  -5.022
  353    HA   ARG  18           HA       ARG  18   3.842   2.023  -5.586
  354    HB2  ARG  18           2HB      ARG  18   3.315  -0.337  -7.378
  355    HB3  ARG  18           1HB      ARG  18   3.320   1.305  -7.992
  356    HG2  ARG  18           2HG      ARG  18   5.643  -0.075  -6.661
  357    HG3  ARG  18           1HG      ARG  18   5.427   0.124  -8.401
  358    HD2  ARG  18           2HD      ARG  18   5.729   2.336  -6.367
  359    HD3  ARG  18           1HD      ARG  18   6.933   1.821  -7.543
  360    HE   ARG  18           HE       ARG  18   4.834   2.459  -9.082
  361   HH11  ARG  18          1HH1      ARG  18   6.575   4.235  -6.531
  362   HH12  ARG  18          2HH1      ARG  18   6.206   5.759  -7.180
  363   HH21  ARG  18          1HH2      ARG  18   4.349   4.614  -9.933
  364   HH22  ARG  18          2HH2      ARG  18   4.944   5.986  -9.117
  365    H    SER  19           H        SER  19   1.224  -0.241  -5.328
  366    HA   SER  19           HA       SER  19  -0.660   1.377  -6.704
  367    HB2  SER  19           2HB      SER  19  -0.737  -1.050  -6.718
  368    HB3  SER  19           1HB      SER  19  -1.037  -1.122  -5.006
  369    HG   SER  19           HG       SER  19  -2.988  -1.256  -6.107
  370    H    LEU  20           H        LEU  20   0.252   0.778  -3.379
  371    HA   LEU  20           HA       LEU  20  -1.829   2.627  -2.437
  372    HB2  LEU  20           2HB      LEU  20   0.540   1.971  -0.669
  373    HB3  LEU  20           1HB      LEU  20  -1.054   2.469  -0.257
  374    HG   LEU  20           HG       LEU  20  -1.827   0.152  -1.086
  375   HD11  LEU  20          1HD1      LEU  20  -0.183  -1.589  -0.774
  376   HD12  LEU  20          2HD1      LEU  20   1.058  -0.373  -0.487
  377   HD13  LEU  20          3HD1      LEU  20   0.298  -0.501  -2.077
  378   HD21  LEU  20          3HD2      LEU  20  -0.214   0.473   1.409
  379   HD22  LEU  20          1HD2      LEU  20  -1.417  -0.778   1.119
  380   HD23  LEU  20          2HD2      LEU  20  -1.925   0.913   1.227
  381    H    ALA  21           H        ALA  21   1.380   2.777  -3.391
  382    HA   ALA  21           HA       ALA  21   2.218   5.280  -2.475
  383    HB1  ALA  21           1HB      ALA  21   2.759   4.166  -5.215
  384    HB2  ALA  21           2HB      ALA  21   3.650   3.739  -3.757
  385    HB3  ALA  21           3HB      ALA  21   3.705   5.392  -4.373
  386    H    ARG  22           H        ARG  22   0.336   4.575  -5.314
  387    HA   ARG  22           HA       ARG  22   0.247   7.266  -6.246
  388    HB2  ARG  22           2HB      ARG  22  -1.550   6.481  -7.768
  389    HB3  ARG  22           1HB      ARG  22  -0.098   5.486  -7.809
  390    HG2  ARG  22           2HG      ARG  22  -1.157   3.874  -6.342
  391    HG3  ARG  22           1HG      ARG  22  -2.607   4.868  -6.297
  392    HD2  ARG  22           2HD      ARG  22  -2.977   4.522  -8.622
  393    HD3  ARG  22           1HD      ARG  22  -1.429   3.681  -8.794
  394    HE   ARG  22           HE       ARG  22  -2.622   2.239  -6.920
  395   HH11  ARG  22          1HH1      ARG  22  -3.897   3.365 -10.034
  396   HH12  ARG  22          2HH1      ARG  22  -4.860   1.972 -10.260
  397   HH21  ARG  22          1HH2      ARG  22  -3.891   0.359  -7.296
  398   HH22  ARG  22          2HH2      ARG  22  -4.852   0.243  -8.705
  399    H    PHE  23           H        PHE  23  -1.437   5.798  -3.719
  400    HA   PHE  23           HA       PHE  23  -3.547   7.863  -3.833
  401    HB2  PHE  23           2HB      PHE  23  -4.273   5.439  -3.633
  402    HB3  PHE  23           1HB      PHE  23  -3.483   5.390  -2.100
  403    HD1  PHE  23           1HD      PHE  23  -6.022   7.527  -3.811
  404    HD2  PHE  23           2HD      PHE  23  -4.686   5.758  -0.184
  405    HE1  PHE  23           1HE      PHE  23  -8.011   8.398  -2.657
  406    HE2  PHE  23           2HE      PHE  23  -6.670   6.623   0.977
  407    HZ   PHE  23           HZ       PHE  23  -8.337   7.943  -0.259
  408    H    CYS  24           H        CYS  24  -1.943   6.016  -1.470
  409    HA   CYS  24           HA       CYS  24  -1.100   6.426   0.610
  410    HB2  CYS  24           2HB      CYS  24   0.720   7.308  -0.768
  411    HB3  CYS  24           1HB      CYS  24  -0.043   8.892  -0.786
  412    HN1  NH2  25           HT1      CYS  24  -3.023   6.680   1.767
  413    HN2  NH2  25           HT2      CYS  24  -3.596   8.220   2.278


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