NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
1059 1a1t cing 1-original 17 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           HN       MET   1   5.674 -13.066   6.775
    2    HA   MET   1           HA       MET   1   7.145 -13.165   4.254
    3   1HB   MET   1          2HB       MET   1   6.009 -15.317   5.597
    4   2HB   MET   1          3HB       MET   1   4.675 -14.839   4.567
    5   1HG   MET   1          2HG       MET   1   5.681 -16.034   2.910
    6   2HG   MET   1          3HG       MET   1   6.864 -14.743   2.820
    7   1HE   MET   1          3HE       MET   1   8.709 -14.469   4.335
    8   2HE   MET   1          1HE       MET   1   9.720 -15.776   4.997
    9   3HE   MET   1          2HE       MET   1   9.640 -15.516   3.237
   10    H    GLN   2           HN       GLN   2   4.711 -13.792   2.709
   11    HA   GLN   2           HA       GLN   2   2.938 -12.871   1.822
   12   1HB   GLN   2          2HB       GLN   2   2.347 -12.291   4.312
   13   2HB   GLN   2          3HB       GLN   2   2.839 -10.661   3.897
   14   1HG   GLN   2          2HG       GLN   2   0.977 -10.286   2.608
   15   2HG   GLN   2          3HG       GLN   2   1.029 -11.883   1.890
   16   1HE2  GLN   2          2HE2      GLN   2  -0.803 -13.506   4.537
   17   2HE2  GLN   2          1HE2      GLN   2   0.571 -13.709   3.501
   18    H    LYS   3           HN       LYS   3   3.622 -12.057  -0.120
   19    HA   LYS   3           HA       LYS   3   4.101 -10.457  -1.600
   20   1HB   LYS   3          2HB       LYS   3   3.426  -8.898   0.618
   21   2HB   LYS   3          3HB       LYS   3   5.000  -8.294   0.139
   22   1HG   LYS   3          2HG       LYS   3   4.248  -7.532  -1.920
   23   2HG   LYS   3          3HG       LYS   3   3.070  -8.818  -2.092
   24   1HD   LYS   3          2HD       LYS   3   2.077  -7.443   0.108
   25   2HD   LYS   3          3HD       LYS   3   2.774  -6.141  -0.835
   26   1HE   LYS   3          2HE       LYS   3   1.396  -6.618  -2.739
   27   2HE   LYS   3          3HE       LYS   3   0.983  -8.217  -2.152
   28   1HZ   LYS   3          1HZ       LYS   3  -0.877  -6.990  -1.568
   29   2HZ   LYS   3          2HZ       LYS   3  -0.038  -6.864  -0.179
   30    H    GLY   4           HN       GLY   4   5.814 -12.253  -1.691
   31   1HA   GLY   4          1HA       GLY   4   8.333 -11.976  -0.537
   32   2HA   GLY   4          2HA       GLY   4   7.959 -12.831  -2.020
   33    H    ASN   5           HN       ASN   5   6.785 -10.239  -3.214
   34    HA   ASN   5           HA       ASN   5   8.992  -9.500  -4.637
   35   1HB   ASN   5          2HB       ASN   5   6.298  -8.939  -4.749
   36   2HB   ASN   5          3HB       ASN   5   6.901  -7.390  -4.194
   37   1HD2  ASN   5          2HD2      ASN   5   8.055  -6.338  -7.271
   38   2HD2  ASN   5          1HD2      ASN   5   7.587  -6.004  -5.637
   39    H    PHE   6           HN       PHE   6   7.953  -8.643  -1.408
   40    HA   PHE   6           HA       PHE   6   8.988  -6.073  -1.175
   41   1HB   PHE   6          2HB       PHE   6   7.524  -7.064   0.519
   42   2HB   PHE   6          3HB       PHE   6   8.553  -8.474   0.679
   43    HD1  PHE   6           HD2      PHE   6  10.764  -8.252   1.835
   44    HD2  PHE   6           HD1      PHE   6   7.908  -5.113   1.817
   45    HE1  PHE   6           HE2      PHE   6  11.930  -7.180   3.782
   46    HE2  PHE   6           HE1      PHE   6   9.074  -4.041   3.764
   47    HZ   PHE   6           HZ       PHE   6  11.071  -5.088   4.723
   48    H    ARG   7           HN       ARG   7  10.598  -9.094  -1.668
   49    HA   ARG   7           HA       ARG   7  12.860  -8.699  -0.147
   50   1HB   ARG   7          2HB       ARG   7  13.911 -10.366  -1.645
   51   2HB   ARG   7          3HB       ARG   7  12.266 -10.846  -1.276
   52   1HG   ARG   7          2HG       ARG   7  11.471  -9.961  -3.437
   53   2HG   ARG   7          3HG       ARG   7  13.060  -9.316  -3.798
   54   1HD   ARG   7          2HD       ARG   7  13.904 -11.369  -4.414
   55   2HD   ARG   7          3HD       ARG   7  13.059 -12.219  -3.136
   56    HE   ARG   7           HE       ARG   7  11.408 -12.744  -4.689
   57   1HH1  ARG   7          2HH2      ARG   7  12.964  -9.735  -5.728
   58   2HH1  ARG   7          1HH2      ARG   7  12.025  -9.605  -7.178
   59    HH2  ARG   7           HH1      ARG   7  10.387 -11.284  -7.669
   60    H    ASN   8           HN       ASN   8  11.657  -6.909  -2.810
   61    HA   ASN   8           HA       ASN   8  13.892  -6.342  -4.267
   62   1HB   ASN   8          2HB       ASN   8  12.705  -4.194  -4.845
   63   2HB   ASN   8          3HB       ASN   8  11.640  -5.585  -4.932
   64   1HD2  ASN   8          2HD2      ASN   8  10.296  -2.557  -2.958
   65   2HD2  ASN   8          1HD2      ASN   8  11.248  -2.653  -4.401
   66    H    GLN   9           HN       GLN   9  13.018  -5.506  -0.981
   67    HA   GLN   9           HA       GLN   9  14.327  -3.086  -0.717
   68   1HB   GLN   9          2HB       GLN   9  13.669  -5.304   1.255
   69   2HB   GLN   9          3HB       GLN   9  14.459  -3.826   1.769
   70   1HG   GLN   9          2HG       GLN   9  12.337  -2.895   0.185
   71   2HG   GLN   9          3HG       GLN   9  11.641  -4.277   1.007
   72   1HE2  GLN   9          2HE2      GLN   9  10.914  -1.583   3.287
   73   2HE2  GLN   9          1HE2      GLN   9  10.397  -2.287   1.791
   74    H    ARG  10           HN       ARG  10  15.582  -6.195  -1.409
   75    HA   ARG  10           HA       ARG  10  17.960  -6.017   0.058
   76   1HB   ARG  10          2HB       ARG  10  18.680  -7.937  -1.270
   77   2HB   ARG  10          3HB       ARG  10  16.978  -8.144  -0.904
   78   1HG   ARG  10          2HG       ARG  10  16.464  -8.199  -3.111
   79   2HG   ARG  10          3HG       ARG  10  17.190  -6.623  -3.356
   80   1HD   ARG  10          2HD       ARG  10  19.025  -9.009  -3.089
   81   2HD   ARG  10          3HD       ARG  10  18.149  -8.803  -4.594
   82    HE   ARG  10           HE       ARG  10  19.167  -6.306  -4.280
   83   1HH1  ARG  10          2HH2      ARG  10  20.726  -9.466  -3.912
   84   2HH1  ARG  10          1HH2      ARG  10  22.294  -8.884  -4.361
   85    HH2  ARG  10           HH1      ARG  10  22.570  -6.570  -4.921
   86    H    LYS  11           HN       LYS  11  16.797  -4.131  -2.466
   87    HA   LYS  11           HA       LYS  11  19.529  -3.506  -3.338
   88   1HB   LYS  11          2HB       LYS  11  18.443  -4.708  -5.139
   89   2HB   LYS  11          3HB       LYS  11  17.030  -3.676  -5.044
   90   1HG   LYS  11          2HG       LYS  11  18.139  -1.823  -5.981
   91   2HG   LYS  11          3HG       LYS  11  19.721  -2.371  -5.465
   92   1HD   LYS  11          2HD       LYS  11  19.934  -2.992  -7.667
   93   2HD   LYS  11          3HD       LYS  11  19.080  -4.427  -7.137
   94   1HE   LYS  11          2HE       LYS  11  17.863  -3.697  -9.051
   95   2HE   LYS  11          3HE       LYS  11  16.890  -3.161  -7.696
   96   1HZ   LYS  11          1HZ       LYS  11  17.511  -1.489  -9.581
   97   2HZ   LYS  11          2HZ       LYS  11  17.513  -0.964  -8.039
   98    H    THR  12           HN       THR  12  18.200  -2.391  -1.067
   99    HA   THR  12           HA       THR  12  17.272  -0.480  -0.272
  100    HB   THR  12           HB       THR  12  19.858  -0.262  -0.764
  101    HG1  THR  12           HG1      THR  12  19.569   1.974   0.031
  102   1HG2  THR  12          2HG2      THR  12  18.872   0.762  -3.210
  103   2HG2  THR  12          3HG2      THR  12  19.263   2.208  -2.247
  104   3HG2  THR  12          1HG2      THR  12  20.517   0.986  -2.568
  105    H    VAL  13           HN       VAL  13  15.525  -1.331  -2.181
  106    HA   VAL  13           HA       VAL  13  14.986   0.081  -4.373
  107    HB   VAL  13           HB       VAL  13  12.554  -0.159  -3.716
  108   1HG1  VAL  13          3HG1      VAL  13  14.591  -2.225  -4.118
  109   2HG1  VAL  13          1HG1      VAL  13  13.137  -2.837  -3.295
  110   3HG1  VAL  13          2HG1      VAL  13  12.991  -2.028  -4.873
  111   1HG2  VAL  13          1HG2      VAL  13  13.843  -1.231  -1.191
  112   2HG2  VAL  13          2HG2      VAL  13  12.623   0.056  -1.344
  113   3HG2  VAL  13          3HG2      VAL  13  12.181  -1.634  -1.686
  114    H    LYS  14           HN       LYS  14  13.691   2.003  -4.890
  115    HA   LYS  14           HA       LYS  14  14.136   4.081  -2.872
  116   1HB   LYS  14          2HB       LYS  14  15.338   4.675  -4.779
  117   2HB   LYS  14          3HB       LYS  14  14.113   4.073  -5.878
  118   1HG   LYS  14          2HG       LYS  14  13.128   6.211  -4.068
  119   2HG   LYS  14          3HG       LYS  14  14.428   6.733  -5.122
  120   1HD   LYS  14          2HD       LYS  14  12.221   5.109  -6.369
  121   2HD   LYS  14          3HD       LYS  14  11.834   6.752  -5.899
  122   1HE   LYS  14          2HE       LYS  14  12.605   7.020  -8.116
  123   2HE   LYS  14          3HE       LYS  14  14.021   7.428  -7.169
  124   1HZ   LYS  14          1HZ       LYS  14  14.665   5.874  -8.864
  125   2HZ   LYS  14          2HZ       LYS  14  14.739   5.061  -7.455
  126    H    CYS  15           HN       CYS  15  12.446   5.353  -2.123
  127    HA   CYS  15           HA       CYS  15   9.860   4.211  -2.450
  128   1HB   CYS  15          2HB       CYS  15  10.631   5.116  -0.287
  129   2HB   CYS  15          3HB       CYS  15  10.726   6.723  -0.979
  130    H    PHE  16           HN       PHE  16   8.636   4.620  -4.259
  131    HA   PHE  16           HA       PHE  16   9.228   6.854  -5.922
  132   1HB   PHE  16          2HB       PHE  16   7.246   4.545  -5.762
  133   2HB   PHE  16          3HB       PHE  16   6.908   5.837  -6.896
  134    HD1  PHE  16           HD1      PHE  16   9.564   6.506  -7.930
  135    HD2  PHE  16           HD2      PHE  16   7.882   2.715  -7.030
  136    HE1  PHE  16           HE1      PHE  16  11.089   5.430  -9.608
  137    HE2  PHE  16           HE2      PHE  16   9.407   1.639  -8.709
  138    HZ   PHE  16           HZ       PHE  16  10.993   3.010  -9.978
  139    H    ASN  17           HN       ASN  17   7.794   6.826  -2.974
  140    HA   ASN  17           HA       ASN  17   5.561   8.492  -3.735
  141   1HB   ASN  17          2HB       ASN  17   5.592   6.600  -1.871
  142   2HB   ASN  17          3HB       ASN  17   6.363   7.819  -0.878
  143   1HD2  ASN  17          2HD2      ASN  17   3.106   8.618   0.148
  144   2HD2  ASN  17          1HD2      ASN  17   4.597   7.818   0.520
  145    H    CYS  18           HN       CYS  18   8.215   8.511  -1.222
  146    HA   CYS  18           HA       CYS  18   8.117  11.388  -1.155
  147   1HB   CYS  18          2HB       CYS  18   9.796  11.152   0.661
  148   2HB   CYS  18          3HB       CYS  18   8.317  10.263   0.965
  149    H    GLY  19           HN       GLY  19  10.270   8.680  -2.177
  150   1HA   GLY  19          1HA       GLY  19  11.597   8.900  -4.129
  151   2HA   GLY  19          2HA       GLY  19  11.795  10.611  -3.800
  152    H    LYS  20           HN       LYS  20  11.981   8.170  -1.204
  153    HA   LYS  20           HA       LYS  20  14.789   8.906  -0.868
  154   1HB   LYS  20          2HB       LYS  20  12.714   8.872   0.925
  155   2HB   LYS  20          3HB       LYS  20  13.453   7.312   1.226
  156   1HG   LYS  20          2HG       LYS  20  15.406   8.233   2.045
  157   2HG   LYS  20          3HG       LYS  20  15.380   9.571   0.915
  158   1HD   LYS  20          2HD       LYS  20  13.136  10.081   2.499
  159   2HD   LYS  20          3HD       LYS  20  14.264   9.399   3.654
  160   1HE   LYS  20          2HE       LYS  20  15.061  11.626   1.729
  161   2HE   LYS  20          3HE       LYS  20  14.370  11.958   3.305
  162   1HZ   LYS  20          1HZ       LYS  20  16.686  11.929   3.647
  163   2HZ   LYS  20          2HZ       LYS  20  16.235  10.461   4.185
  164    H    GLU  21           HN       GLU  21  15.823   6.764   0.494
  165    HA   GLU  21           HA       GLU  21  15.318   4.506  -1.269
  166   1HB   GLU  21          2HB       GLU  21  17.772   6.106  -1.074
  167   2HB   GLU  21          3HB       GLU  21  18.080   4.417  -0.726
  168   1HG   GLU  21          2HG       GLU  21  17.415   3.704  -2.862
  169   2HG   GLU  21          3HG       GLU  21  16.342   5.067  -3.104
  170    HE1  GLU  21           HE2      GLU  21  20.258   5.537  -3.883
  171    H    GLY  22           HN       GLY  22  14.892   2.687  -0.095
  172   1HA   GLY  22          1HA       GLY  22  16.090   1.314   1.701
  173   2HA   GLY  22          2HA       GLY  22  15.719   2.680   2.735
  174    H    HIS  23           HN       HIS  23  13.184   2.871   0.703
  175    HA   HIS  23           HA       HIS  23  11.664   0.615   1.558
  176   1HB   HIS  23          2HB       HIS  23  10.144   1.645   3.015
  177   2HB   HIS  23          3HB       HIS  23  11.725   2.141   3.582
  178    HD1  HIS  23           HD1      HIS  23  12.349   4.657   3.403
  179    HD2  HIS  23           HD2      HIS  23   8.555   3.719   1.875
  180    HE1  HIS  23           HE1      HIS  23  11.152   6.881   3.046
  181    H    ILE  24           HN       ILE  24   9.471   0.631   0.566
  182    HA   ILE  24           HA       ILE  24   9.496   2.343  -1.816
  183    HB   ILE  24           HB       ILE  24   8.271   0.636  -2.933
  184   1HG1  ILE  24          2HG1      ILE  24   8.239  -0.959  -0.356
  185   2HG1  ILE  24          3HG1      ILE  24   6.879  -0.031  -0.957
  186   1HG2  ILE  24          2HG2      ILE  24  10.877   0.410  -2.201
  187   2HG2  ILE  24          3HG2      ILE  24  10.227  -1.143  -1.623
  188   3HG2  ILE  24          1HG2      ILE  24  10.045  -0.684  -3.333
  189   1HD1  ILE  24          2HD1      ILE  24   8.268  -2.195  -2.599
  190   2HD1  ILE  24          3HD1      ILE  24   6.840  -2.496  -1.578
  191   3HD1  ILE  24          1HD1      ILE  24   6.725  -1.386  -2.965
  192    H    ALA  25           HN       ALA  25   7.284   2.992  -2.635
  193    HA   ALA  25           HA       ALA  25   5.962   4.493  -0.775
  194   1HB   ALA  25          2HB       ALA  25   5.012   3.274  -3.395
  195   2HB   ALA  25          3HB       ALA  25   4.121   4.529  -2.503
  196   3HB   ALA  25          1HB       ALA  25   5.741   4.878  -3.150
  197    H    LYS  26           HN       LYS  26   5.495   1.063  -1.687
  198    HA   LYS  26           HA       LYS  26   3.026   0.696  -0.451
  199   1HB   LYS  26          2HB       LYS  26   5.257  -1.322  -0.831
  200   2HB   LYS  26          3HB       LYS  26   3.563  -1.681  -0.557
  201   1HG   LYS  26          2HG       LYS  26   4.190   0.160  -2.847
  202   2HG   LYS  26          3HG       LYS  26   4.657  -1.518  -3.043
  203   1HD   LYS  26          2HD       LYS  26   1.956  -1.302  -1.911
  204   2HD   LYS  26          3HD       LYS  26   2.076  -0.423  -3.421
  205   1HE   LYS  26          2HE       LYS  26   3.152  -2.510  -4.449
  206   2HE   LYS  26          3HE       LYS  26   2.773  -3.360  -2.964
  207   1HZ   LYS  26          1HZ       LYS  26   0.907  -3.761  -4.264
  208   2HZ   LYS  26          2HZ       LYS  26   0.385  -2.462  -3.431
  209    H    ASN  27           HN       ASN  27   6.404   0.473   0.799
  210    HA   ASN  27           HA       ASN  27   5.310  -0.054   3.419
  211   1HB   ASN  27          2HB       ASN  27   8.145  -0.025   2.278
  212   2HB   ASN  27          3HB       ASN  27   7.850  -0.178   3.998
  213   1HD2  ASN  27          2HD2      ASN  27   6.687  -3.183   1.379
  214   2HD2  ASN  27          1HD2      ASN  27   6.810  -1.531   0.876
  215    H    CYS  28           HN       CYS  28   5.420   2.608   1.658
  216    HA   CYS  28           HA       CYS  28   7.051   4.300   3.314
  217   1HB   CYS  28          2HB       CYS  28   6.930   4.697   0.890
  218   2HB   CYS  28          3HB       CYS  28   5.203   4.972   1.000
  219    H    ARG  29           HN       ARG  29   6.271   5.658   4.956
  220    HA   ARG  29           HA       ARG  29   3.723   5.006   5.959
  221   1HB   ARG  29          2HB       ARG  29   6.107   6.123   6.976
  222   2HB   ARG  29          3HB       ARG  29   4.954   7.438   7.096
  223   1HG   ARG  29          2HG       ARG  29   4.142   4.673   8.030
  224   2HG   ARG  29          3HG       ARG  29   5.165   5.656   9.059
  225   1HD   ARG  29          2HD       ARG  29   3.328   7.541   8.528
  226   2HD   ARG  29          3HD       ARG  29   2.314   6.153   8.186
  227    HE   ARG  29           HE       ARG  29   3.776   5.947  10.726
  228   1HH1  ARG  29          2HH2      ARG  29   0.804   7.082   9.167
  229   2HH1  ARG  29          1HH2      ARG  29  -0.117   7.074  10.634
  230    HH2  ARG  29           HH1      ARG  29   0.937   6.397  12.677
  231    H    ALA  30           HN       ALA  30   5.145   7.636   4.022
  232    HA   ALA  30           HA       ALA  30   3.185   9.576   4.417
  233   1HB   ALA  30          2HB       ALA  30   4.986   8.955   2.042
  234   2HB   ALA  30          3HB       ALA  30   4.046  10.455   2.231
  235   3HB   ALA  30          1HB       ALA  30   5.336  10.062   3.391
  236    HA   PRO  31           HA       PRO  31  -0.173   8.059   2.156
  237   1HB   PRO  31          2HB       PRO  31  -1.442  10.361   1.410
  238   2HB   PRO  31          3HB       PRO  31  -1.581   9.666   3.013
  239   1HG   PRO  31          2HG       PRO  31  -0.029  12.028   2.146
  240   2HG   PRO  31          3HG       PRO  31  -0.522  11.573   3.764
  241   1HD   PRO  31          2HD       PRO  31   2.095  11.292   2.625
  242   2HD   PRO  31          3HD       PRO  31   1.573  10.731   4.200
  243    H    ARG  32           HN       ARG  32  -1.106   7.572   0.117
  244    HA   ARG  32           HA       ARG  32   0.763   7.507  -1.856
  245   1HB   ARG  32          2HB       ARG  32  -2.135   6.983  -1.599
  246   2HB   ARG  32          3HB       ARG  32  -1.703   7.494  -3.218
  247   1HG   ARG  32          2HG       ARG  32  -1.480   5.095  -3.183
  248   2HG   ARG  32          3HG       ARG  32   0.149   5.740  -3.200
  249   1HD   ARG  32          2HD       ARG  32   0.121   5.551  -0.625
  250   2HD   ARG  32          3HD       ARG  32  -1.370   4.644  -0.791
  251    HE   ARG  32           HE       ARG  32   0.920   3.687  -2.409
  252   1HH1  ARG  32          2HH2      ARG  32  -1.029   3.291   0.522
  253   2HH1  ARG  32          1HH2      ARG  32  -0.495   1.669   0.809
  254    HH2  ARG  32           HH1      ARG  32   1.066   0.663  -0.706
  255    H    LYS  33           HN       LYS  33   1.739   9.294  -2.782
  256    HA   LYS  33           HA       LYS  33  -0.053  11.349  -3.842
  257   1HB   LYS  33          2HB       LYS  33   2.026  11.683  -1.773
  258   2HB   LYS  33          3HB       LYS  33   2.144  12.816  -3.104
  259   1HG   LYS  33          2HG       LYS  33  -0.440  13.147  -2.782
  260   2HG   LYS  33          3HG       LYS  33  -0.207  12.366  -1.230
  261   1HD   LYS  33          2HD       LYS  33   1.638  14.091  -0.757
  262   2HD   LYS  33          3HD       LYS  33   1.126  14.931  -2.208
  263   1HE   LYS  33          2HE       LYS  33  -1.259  14.402  -0.719
  264   2HE   LYS  33          3HE       LYS  33  -0.077  14.972   0.444
  265   1HZ   LYS  33          1HZ       LYS  33  -0.992  16.377  -1.997
  266   2HZ   LYS  33          2HZ       LYS  33  -1.091  16.898  -0.457
  267    H    LYS  34           HN       LYS  34   1.659  12.937  -5.196
  268    HA   LYS  34           HA       LYS  34   3.514  11.222  -6.629
  269   1HB   LYS  34          2HB       LYS  34   0.922  12.190  -7.715
  270   2HB   LYS  34          3HB       LYS  34   2.314  12.374  -8.764
  271   1HG   LYS  34          2HG       LYS  34   2.591   9.778  -7.659
  272   2HG   LYS  34          3HG       LYS  34   0.879   9.931  -8.003
  273   1HD   LYS  34          2HD       LYS  34   1.504  10.749 -10.343
  274   2HD   LYS  34          3HD       LYS  34   3.173  10.365  -9.971
  275   1HE   LYS  34          2HE       LYS  34   2.815   8.068 -10.042
  276   2HE   LYS  34          3HE       LYS  34   1.173   8.191  -9.442
  277   1HZ   LYS  34          1HZ       LYS  34   1.069   7.611 -11.748
  278   2HZ   LYS  34          2HZ       LYS  34   0.588   9.165 -11.669
  279    H    GLY  35           HN       GLY  35   4.353  13.058  -4.860
  280   1HA   GLY  35          1HA       GLY  35   4.678  15.629  -6.198
  281   2HA   GLY  35          2HA       GLY  35   5.169  15.199  -4.571
  282    H    CYS  36           HN       CYS  36   6.332  15.958  -7.611
  283    HA   CYS  36           HA       CYS  36   8.314  14.120  -8.107
  284   1HB   CYS  36          2HB       CYS  36   7.836  15.735  -9.775
  285   2HB   CYS  36          3HB       CYS  36   8.105  17.081  -8.685
  286    H    TRP  37           HN       TRP  37  10.067  13.509  -6.886
  287    HA   TRP  37           HA       TRP  37  10.745  15.085  -4.569
  288   1HB   TRP  37          2HB       TRP  37  12.487  12.837  -5.097
  289   2HB   TRP  37          3HB       TRP  37  11.454  13.167  -3.720
  290    HD1  TRP  37           HD1      TRP  37   8.728  12.397  -4.134
  291    HE1  TRP  37           HE1      TRP  37   7.705  10.285  -5.341
  292    HE3  TRP  37           HE3      TRP  37  12.873  11.297  -6.866
  293    HZ2  TRP  37           HZ2      TRP  37   8.721   8.432  -7.259
  294    HZ3  TRP  37           HZ3      TRP  37  12.774   9.320  -8.381
  295    HH2  TRP  37           HH2      TRP  37  10.790   7.908  -8.602
  296    H    LYS  38           HN       LYS  38  11.130  16.478  -7.042
  297    HA   LYS  38           HA       LYS  38  14.046  16.710  -6.980
  298   1HB   LYS  38          2HB       LYS  38  12.709  15.531  -9.094
  299   2HB   LYS  38          3HB       LYS  38  12.861  17.194  -9.624
  300   1HG   LYS  38          2HG       LYS  38  15.215  15.627  -8.483
  301   2HG   LYS  38          3HG       LYS  38  14.826  15.622 -10.192
  302   1HD   LYS  38          2HD       LYS  38  15.338  17.914 -10.462
  303   2HD   LYS  38          3HD       LYS  38  15.089  18.277  -8.765
  304   1HE   LYS  38          2HE       LYS  38  17.319  16.386  -9.566
  305   2HE   LYS  38          3HE       LYS  38  17.554  18.114  -9.743
  306   1HZ   LYS  38          1HZ       LYS  38  18.177  17.918  -7.574
  307   2HZ   LYS  38          2HZ       LYS  38  16.583  18.008  -7.257
  308    H    CYS  39           HN       CYS  39  10.882  18.148  -8.006
  309    HA   CYS  39           HA       CYS  39  12.075  20.762  -7.453
  310   1HB   CYS  39          2HB       CYS  39  10.168  21.660  -8.831
  311   2HB   CYS  39          3HB       CYS  39  11.341  20.705  -9.715
  312    H    GLY  40           HN       GLY  40   9.487  18.413  -6.753
  313   1HA   GLY  40          1HA       GLY  40   8.440  18.280  -4.676
  314   2HA   GLY  40          2HA       GLY  40   8.761  19.977  -4.384
  315    H    LYS  41           HN       LYS  41   7.588  19.027  -7.577
  316    HA   LYS  41           HA       LYS  41   5.102  20.427  -6.986
  317   1HB   LYS  41          2HB       LYS  41   6.885  20.540  -9.117
  318   2HB   LYS  41          3HB       LYS  41   5.555  19.595  -9.755
  319   1HG   LYS  41          2HG       LYS  41   3.990  21.331  -9.463
  320   2HG   LYS  41          3HG       LYS  41   4.908  22.088  -8.176
  321   1HD   LYS  41          2HD       LYS  41   6.646  22.796  -9.828
  322   2HD   LYS  41          3HD       LYS  41   5.739  22.029 -11.117
  323   1HE   LYS  41          2HE       LYS  41   3.876  23.570 -10.844
  324   2HE   LYS  41          3HE       LYS  41   4.532  24.200  -9.345
  325   1HZ   LYS  41          1HZ       LYS  41   6.290  25.254 -10.523
  326   2HZ   LYS  41          2HZ       LYS  41   6.014  24.432 -11.902
  327    H    GLU  42           HN       GLU  42   3.170  19.404  -6.775
  328    HA   GLU  42           HA       GLU  42   3.244  16.540  -6.983
  329   1HB   GLU  42          2HB       GLU  42   1.059  16.627  -5.843
  330   2HB   GLU  42          3HB       GLU  42   2.240  17.602  -4.989
  331   1HG   GLU  42          2HG       GLU  42   0.814  19.357  -5.142
  332   2HG   GLU  42          3HG       GLU  42   1.095  19.377  -6.871
  333    HE2  GLU  42           HE2      GLU  42  -1.335  18.644  -8.031
  334    H    GLY  43           HN       GLY  43   2.769  15.557  -8.897
  335   1HA   GLY  43          1HA       GLY  43   0.524  15.486 -10.274
  336   2HA   GLY  43          2HA       GLY  43   1.169  17.004 -10.869
  337    H    HIS  44           HN       HIS  44   3.869  16.650 -11.130
  338    HA   HIS  44           HA       HIS  44   3.956  14.556 -13.150
  339   1HB   HIS  44          2HB       HIS  44   5.734  15.759 -14.148
  340   2HB   HIS  44          3HB       HIS  44   4.499  16.930 -13.732
  341    HD1  HIS  44           HD1      HIS  44   5.106  18.777 -12.055
  342    HD2  HIS  44           HD2      HIS  44   8.105  15.881 -12.508
  343    HE1  HIS  44           HE1      HIS  44   7.170  19.694 -10.868
  344    H    GLN  45           HN       GLN  45   6.501  13.782 -13.363
  345    HA   GLN  45           HA       GLN  45   7.291  13.030 -10.663
  346   1HB   GLN  45          2HB       GLN  45   7.737  10.745 -11.390
  347   2HB   GLN  45          3HB       GLN  45   6.072  11.145 -11.760
  348   1HG   GLN  45          2HG       GLN  45   7.505  11.963 -14.055
  349   2HG   GLN  45          3HG       GLN  45   8.268  10.456 -13.588
  350   1HE2  GLN  45          2HE2      GLN  45   5.696   8.364 -14.596
  351   2HE2  GLN  45          1HE2      GLN  45   7.285   8.573 -13.938
  352    H    MET  46           HN       MET  46   9.642  12.158 -10.637
  353    HA   MET  46           HA       MET  46  11.312  14.081 -11.570
  354   1HB   MET  46          2HB       MET  46  11.620  11.206 -10.666
  355   2HB   MET  46          3HB       MET  46  13.030  11.983 -11.356
  356   1HG   MET  46          2HG       MET  46  11.770  13.811  -9.477
  357   2HG   MET  46          3HG       MET  46  12.003  12.261  -8.694
  358   1HE   MET  46          2HE       MET  46  13.896  10.950  -8.696
  359   2HE   MET  46          3HE       MET  46  15.594  11.451  -8.887
  360   3HE   MET  46          1HE       MET  46  14.680  11.938  -7.439
  361    H    LYS  47           HN       LYS  47  10.499  10.896 -13.083
  362    HA   LYS  47           HA       LYS  47  12.307  11.003 -15.167
  363   1HB   LYS  47          2HB       LYS  47  10.629   9.154 -14.327
  364   2HB   LYS  47          3HB       LYS  47   9.563   9.838 -15.538
  365   1HG   LYS  47          2HG       LYS  47  11.361   9.545 -17.268
  366   2HG   LYS  47          3HG       LYS  47  12.404   8.834 -16.052
  367   1HD   LYS  47          2HD       LYS  47  11.433   6.949 -17.115
  368   2HD   LYS  47          3HD       LYS  47  10.490   7.118 -15.648
  369   1HE   LYS  47          2HE       LYS  47   8.762   6.920 -17.197
  370   2HE   LYS  47          3HE       LYS  47   8.940   8.664 -17.183
  371   1HZ   LYS  47          1HZ       LYS  47  10.688   7.316 -19.058
  372   2HZ   LYS  47          2HZ       LYS  47   9.105   7.160 -19.409
  373    H    ASP  48           HN       ASP  48   9.207  12.684 -14.667
  374    HA   ASP  48           HA       ASP  48   9.607  13.896 -17.289
  375   1HB   ASP  48          2HB       ASP  48   7.332  12.631 -16.228
  376   2HB   ASP  48          3HB       ASP  48   6.983  14.334 -16.005
  377    HD2  ASP  48           HD2      ASP  48   5.713  13.393 -19.257
  378    H    CYS  49           HN       CYS  49  10.985  14.679 -14.806
  379    HA   CYS  49           HA       CYS  49   9.709  16.677 -13.400
  380   1HB   CYS  49          2HB       CYS  49  11.863  15.587 -12.764
  381   2HB   CYS  49          3HB       CYS  49  12.674  16.490 -14.028
  382    H    THR  50           HN       THR  50   8.747  18.476 -14.286
  383    HA   THR  50           HA       THR  50   9.681  19.500 -16.817
  384    HB   THR  50           HB       THR  50   7.254  19.290 -16.240
  385    HG1  THR  50           HG1      THR  50   8.278  21.089 -17.576
  386   1HG2  THR  50          2HG2      THR  50   8.027  20.381 -13.743
  387   2HG2  THR  50          3HG2      THR  50   7.184  21.710 -14.572
  388   3HG2  THR  50          1HG2      THR  50   6.359  20.154 -14.318
  389    H    GLU  51           HN       GLU  51  11.022  19.695 -13.854
  390    HA   GLU  51           HA       GLU  51  11.485  22.550 -13.996
  391   1HB   GLU  51          2HB       GLU  51  11.313  20.622 -11.866
  392   2HB   GLU  51          3HB       GLU  51  12.930  21.299 -11.837
  393   1HG   GLU  51          2HG       GLU  51  10.448  23.055 -12.044
  394   2HG   GLU  51          3HG       GLU  51  11.107  22.558 -10.499
  395    HE2  GLU  51           HE2      GLU  51  12.933  24.999 -10.195
  396    H    ARG  52           HN       ARG  52  13.567  19.652 -13.268
  397    HA   ARG  52           HA       ARG  52  15.414  20.666 -15.252
  398   1HB   ARG  52          2HB       ARG  52  16.053  20.021 -12.340
  399   2HB   ARG  52          3HB       ARG  52  17.302  20.009 -13.569
  400   1HG   ARG  52          2HG       ARG  52  16.367  22.410 -14.182
  401   2HG   ARG  52          3HG       ARG  52  15.648  22.352 -12.585
  402   1HD   ARG  52          2HD       ARG  52  18.379  21.459 -12.333
  403   2HD   ARG  52          3HD       ARG  52  18.393  22.925 -13.293
  404    HE   ARG  52           HE       ARG  52  17.603  22.684 -10.471
  405   1HH1  ARG  52          2HH2      ARG  52  17.454  24.701 -13.380
  406   2HH1  ARG  52          1HH2      ARG  52  17.142  26.161 -12.503
  407    HH2  ARG  52           HH1      ARG  52  16.991  26.085 -10.113
  408    H    GLN  53           HN       GLN  53  17.292  18.890 -15.534
  409    HA   GLN  53           HA       GLN  53  16.090  16.602 -16.410
  410   1HB   GLN  53          2HB       GLN  53  18.865  17.558 -15.985
  411   2HB   GLN  53          3HB       GLN  53  18.711  15.813 -15.970
  412   1HG   GLN  53          2HG       GLN  53  17.256  16.159 -18.146
  413   2HG   GLN  53          3HG       GLN  53  18.001  17.745 -18.199
  414   1HE2  GLN  53          2HE2      GLN  53  20.532  16.322 -20.122
  415   2HE2  GLN  53          1HE2      GLN  53  19.173  17.392 -20.022
  416    H    ALA  54           HN       ALA  54  16.873  14.269 -15.640
  417    HA   ALA  54           HA       ALA  54  16.292  14.169 -12.768
  418   1HB   ALA  54          1HB       ALA  54  15.736  12.373 -15.126
  419   2HB   ALA  54          2HB       ALA  54  15.818  11.680 -13.489
  420   3HB   ALA  54          3HB       ALA  54  14.628  12.952 -13.858
  421    H    ASN  55           HN       ASN  55  18.594  14.763 -12.345
  422    HA   ASN  55           HA       ASN  55  20.709  14.328 -12.018
  423   1HB   ASN  55          2HB       ASN  55  21.177  12.224 -10.828
  424   2HB   ASN  55          3HB       ASN  55  19.591  12.799 -10.348
  425   1HD2  ASN  55          2HD2      ASN  55  18.023   9.838 -11.151
  426   2HD2  ASN  55          1HD2      ASN  55  18.183  11.249 -10.159
  427   1H5*    G 201          1H5*        G 201  -1.077 -16.716  -6.715
  428   2H5*    G 201          2H5*        G 201   0.656 -16.391  -6.680
  429    H4*    G 201           H4*        G 201  -0.803 -17.848  -4.828
  430    H3*    G 201           H3*        G 201   2.165 -17.605  -5.339
  431   1H2*    G 201          1H2*        G 201   2.549 -19.121  -3.590
  432   2HO*    G 201          2HO*        G 201  -0.246 -18.726  -3.015
  433    H1*    G 201           H1*        G 201   0.509 -20.888  -4.196
  434    H8     G 201           H8         G 201   2.543 -19.024  -6.866
  435    H1     G 201           H1         G 201   4.186 -25.211  -5.912
  436   1H2     G 201          1H2         G 201   3.048 -25.998  -4.384
  437   2H2     G 201          2H2         G 201   1.831 -25.113  -3.492
  438   1H5*    G 202          1H5*        G 202   1.827 -17.053  -1.843
  439   2H5*    G 202          2H5*        G 202   2.599 -15.872  -0.786
  440    H4*    G 202           H4*        G 202   3.567 -17.896  -0.177
  441    H3*    G 202           H3*        G 202   5.484 -16.711  -2.222
  442   1H2*    G 202          1H2*        G 202   7.060 -18.184  -1.268
  443   2HO*    G 202          2HO*        G 202   6.089 -19.237   0.833
  444    H1*    G 202           H1*        G 202   5.355 -20.344  -1.019
  445    H8     G 202           H8         G 202   5.140 -17.855  -3.932
  446    H1     G 202           H1         G 202   8.065 -23.471  -5.267
  447   1H2     G 202          1H2         G 202   8.168 -24.619  -3.556
  448   2H2     G 202          2H2         G 202   7.554 -24.130  -1.992
  449   1H5*    A 203          1H5*        A 203   7.679 -16.742   1.445
  450   2H5*    A 203          2H5*        A 203   8.463 -15.166   1.544
  451    H4*    A 203           H4*        A 203  10.104 -16.889   1.854
  452    H3*    A 203           H3*        A 203  10.296 -15.235  -0.615
  453   1H2*    A 203          1H2*        A 203  12.003 -16.524  -1.540
  454   2HO*    A 203          2HO*        A 203  13.057 -16.447   0.576
  455    H1*    A 203           H1*        A 203  11.021 -19.023  -0.623
  456    H8     A 203           H8         A 203   8.771 -16.417  -2.276
  457   1H6     A 203          1H6         A 203   9.458 -19.806  -7.470
  458   2H6     A 203          2H6         A 203   8.638 -18.424  -6.777
  459    H2     A 203           H2         A 203  12.035 -21.568  -4.310
  460   1H5*    C 204          1H5*        C 204  14.473 -15.037   0.682
  461   2H5*    C 204          2H5*        C 204  15.152 -13.718  -0.268
  462    H4*    C 204           H4*        C 204  15.331 -16.425  -0.821
  463    H3*    C 204           H3*        C 204  15.917 -13.947  -2.420
  464   1H2*    C 204          1H2*        C 204  15.632 -15.161  -4.324
  465   2HO*    C 204          2HO*        C 204  17.826 -15.684  -3.837
  466    H1*    C 204           H1*        C 204  15.174 -17.822  -3.234
  467   1H4     C 204          1H4         C 204  10.107 -16.919  -6.984
  468   2H4     C 204          2H4         C 204   9.560 -15.612  -5.958
  469    H5     C 204           H5         C 204  10.770 -14.805  -4.098
  470    H6     C 204           H6         C 204  12.824 -15.056  -2.750
  471   1H5*    U 205          1H5*        U 205  20.340 -14.049  -3.144
  472   2H5*    U 205          2H5*        U 205  20.016 -12.473  -3.867
  473    H4*    U 205           H4*        U 205  20.098 -14.894  -5.183
  474    H3*    U 205           H3*        U 205  18.631 -12.397  -6.121
  475   1H2*    U 205          1H2*        U 205  18.650 -13.472  -8.181
  476   2HO*    U 205          2HO*        U 205  20.780 -15.089  -7.126
  477    H1*    U 205           H1*        U 205  18.601 -16.117  -7.224
  478    H3     U 205           H3         U 205  14.472 -16.067  -8.976
  479    H5     U 205           H5         U 205  14.232 -13.162  -5.969
  480    H6     U 205           H6         U 205  16.630 -13.502  -5.586
  481   1H5*    A 206          1H5*        A 206  20.872 -12.300  -8.524
  482   2H5*    A 206          2H5*        A 206  21.730 -10.891  -9.150
  483    H4*    A 206           H4*        A 206  20.156 -11.619 -10.795
  484    H3*    A 206           H3*        A 206  19.061  -9.128  -9.434
  485   1H2*    A 206          1H2*        A 206  17.627  -9.031 -11.231
  486   2HO*    A 206          2HO*        A 206  18.672 -10.204 -13.247
  487    H1*    A 206           H1*        A 206  17.738 -11.778 -11.993
  488    H8     A 206           H8         A 206  17.028 -10.665  -8.413
  489   1H6     A 206          1H6         A 206  11.016 -11.598  -9.808
  490   2H6     A 206          2H6         A 206  12.125 -11.184  -8.520
  491    H2     A 206           H2         A 206  13.414 -12.221 -13.498
  492   1H5*    G 207          1H5*        G 207  20.394  -7.961 -12.930
  493   2H5*    G 207          2H5*        G 207  20.525  -6.242 -13.303
  494    H4*    G 207           H4*        G 207  18.551  -7.061 -14.342
  495    H3*    G 207           H3*        G 207  17.649  -5.613 -11.821
  496   1H2*    G 207          1H2*        G 207  15.663  -5.299 -13.057
  497   2HO*    G 207          2HO*        G 207  16.647  -6.331 -15.447
  498    H1*    G 207           H1*        G 207  15.762  -7.858 -14.246
  499    H8     G 207           H8         G 207  16.546  -7.296 -10.547
  500    H1     G 207           H1         G 207  10.513  -9.261 -11.826
  501   1H2     G 207          1H2         G 207  10.235  -9.348 -13.867
  502   2H2     G 207          2H2         G 207  11.454  -8.947 -15.055
  503   1H5*    C 208          1H5*        C 208  18.087  -2.087 -14.540
  504   2H5*    C 208          2H5*        C 208  17.624  -0.623 -13.672
  505    H4*    C 208           H4*        C 208  15.972  -2.088 -15.258
  506    H3*    C 208           H3*        C 208  15.321  -0.244 -12.951
  507   1H2*    C 208          1H2*        C 208  13.180  -1.007 -13.040
  508   2HO*    C 208          2HO*        C 208  12.205  -0.548 -15.005
  509    H1*    C 208           H1*        C 208  13.374  -3.148 -14.929
  510   1H4     C 208          1H4         C 208  11.958  -6.164  -9.504
  511   2H4     C 208          2H4         C 208  13.514  -5.725  -8.832
  512    H5     C 208           H5         C 208  15.085  -4.353  -9.940
  513    H6     C 208           H6         C 208  15.555  -3.050 -11.985
  514   1H5*    G 209          1H5*        G 209  13.654   3.216 -12.373
  515   2H5*    G 209          2H5*        G 209  14.314   1.581 -12.321
  516    H4*    G 209           H4*        G 209  12.353   1.347 -14.232
  517    H3*    G 209           H3*        G 209  11.552   3.568 -12.421
  518   1H2*    G 209          1H2*        G 209   9.920   2.287 -11.475
  519   2HO*    G 209          2HO*        G 209   8.814   3.171 -13.296
  520    H1*    G 209           H1*        G 209   9.899  -0.125 -12.996
  521    H8     G 209           H8         G 209  12.947   0.999 -10.996
  522    H1     G 209           H1         G 209   9.096  -3.245  -7.986
  523   1H2     G 209          1H2         G 209   7.417  -3.586  -9.134
  524   2H2     G 209          2H2         G 209   7.099  -2.834 -10.681
  525   1H5*    G 210          1H5*        G 210  10.323   6.526 -12.234
  526   2H5*    G 210          2H5*        G 210  10.444   4.935 -11.483
  527    H4*    G 210           H4*        G 210   8.423   5.091 -10.501
  528    H3*    G 210           H3*        G 210   7.477   6.074 -13.109
  529   1H2*    G 210          1H2*        G 210   6.720   8.025 -12.137
  530   2HO*    G 210          2HO*        G 210   4.981   6.458 -10.572
  531    H1*    G 210           H1*        G 210   6.444   7.300  -9.347
  532    H8     G 210           H8         G 210   9.524   8.180 -11.472
  533    H1     G 210           H1         G 210   7.823  12.580  -7.041
  534   1H2     G 210          1H2         G 210   6.128  11.943  -6.054
  535   2H2     G 210          2H2         G 210   5.291  10.441  -6.378
  536   1H5*    A 211          1H5*        A 211   7.757   3.001 -11.041
  537   2H5*    A 211          2H5*        A 211   7.707   1.254 -11.280
  538    H4*    A 211           H4*        A 211   6.590   1.365  -9.315
  539    H3*    A 211           H3*        A 211   4.553   1.598 -11.478
  540   1H2*    A 211          1H2*        A 211   3.544   3.092  -9.937
  541   2HO*    A 211          2HO*        A 211   1.998   1.562  -9.960
  542    H1*    A 211           H1*        A 211   4.579   1.302  -7.683
  543    H8     A 211           H8         A 211   4.810   5.041  -8.502
  544   1H6     A 211          1H6         A 211   2.074   5.915  -2.961
  545   2H6     A 211          2H6         A 211   2.772   6.731  -4.342
  546    H2     A 211           H2         A 211   2.367   1.542  -3.693
  547   1H5*    G 212          1H5*        G 212   2.968  -2.983  -8.764
  548   2H5*    G 212          2H5*        G 212   3.756  -1.414  -8.592
  549    H4*    G 212           H4*        G 212   5.484  -3.798  -9.073
  550    H3*    G 212           H3*        G 212   3.676  -3.736  -6.825
  551   1H2*    G 212          1H2*        G 212   5.053  -2.804  -5.272
  552   2HO*    G 212          2HO*        G 212   5.870  -4.841  -4.910
  553    H1*    G 212           H1*        G 212   7.449  -2.673  -7.054
  554    H8     G 212           H8         G 212   4.495  -0.403  -6.099
  555    H1     G 212           H1         G 212  10.382   1.945  -4.791
  556   1H2     G 212          1H2         G 212  11.813   0.574  -5.362
  557   2H2     G 212          2H2         G 212  11.469  -0.981  -6.085
  558   1H5*    G 213          1H5*        G 213   2.488  -4.853  -8.236
  559   2H5*    G 213          2H5*        G 213   1.239  -6.078  -8.456
  560    H4*    G 213           H4*        G 213   1.747  -5.651 -10.630
  561    H3*    G 213           H3*        G 213   3.604  -7.857  -9.772
  562   1H2*    G 213          1H2*        G 213   4.635  -7.850 -11.854
  563   2HO*    G 213          2HO*        G 213   3.371  -7.048 -13.649
  564    H1*    G 213           H1*        G 213   4.615  -5.141 -12.370
  565    H8     G 213           H8         G 213   5.149  -6.715  -8.905
  566    H1     G 213           H1         G 213  10.453  -4.341 -11.754
  567   1H2     G 213          1H2         G 213   9.961  -3.600 -13.614
  568   2H2     G 213          2H2         G 213   8.352  -3.619 -14.300
  569   1H5*    C 214          1H5*        C 214   2.050  -9.039 -13.512
  570   2H5*    C 214          2H5*        C 214   2.115 -10.795 -13.659
  571    H4*    C 214           H4*        C 214   3.611  -9.597 -15.229
  572    H3*    C 214           H3*        C 214   4.892 -11.468 -13.220
  573   1H2*    C 214          1H2*        C 214   6.896 -11.224 -14.390
  574   2HO*    C 214          2HO*        C 214   6.694 -11.113 -16.573
  575    H1*    C 214           H1*        C 214   6.641  -8.530 -15.036
  576   1H4     C 214          1H4         C 214   9.906  -8.172  -9.591
  577   2H4     C 214          2H4         C 214   8.558  -8.849  -8.703
  578    H5     C 214           H5         C 214   6.547  -9.568  -9.710
  579    H6     C 214           H6         C 214   5.322  -9.819 -11.839
  580   1H5*    U 215          1H5*        U 215   5.023 -13.496 -16.966
  581   2H5*    U 215          2H5*        U 215   5.019 -15.257 -16.894
  582    H4*    U 215           H4*        U 215   7.089 -14.344 -17.855
  583    H3*    U 215           H3*        U 215   7.088 -16.135 -15.511
  584   1H2*    U 215          1H2*        U 215   9.162 -15.563 -14.736
  585   2HO*    U 215          2HO*        U 215  10.784 -15.477 -16.308
  586    H1*    U 215           H1*        U 215   9.315 -13.040 -16.251
  587    H3     U 215           H3         U 215  11.053 -11.739 -12.274
  588    H5     U 215           H5         U 215   7.054 -12.610 -11.384
  589    H6     U 215           H6         U 215   6.837 -13.474 -13.668
  590   1H5*    A 216          1H5*        A 216   9.862 -17.102 -18.132
  591   2H5*    A 216          2H5*        A 216  10.308 -18.677 -18.790
  592    H4*    A 216           H4*        A 216  12.228 -18.003 -17.690
  593    H3*    A 216           H3*        A 216  10.650 -19.792 -15.841
  594   1H2*    A 216          1H2*        A 216  12.288 -19.567 -14.223
  595   2HO*    A 216          2HO*        A 216  13.987 -18.680 -16.372
  596    H1*    A 216           H1*        A 216  13.129 -16.936 -15.161
  597    H8     A 216           H8         A 216   9.594 -17.640 -13.976
  598   1H6     A 216          1H6         A 216  11.418 -15.287  -8.491
  599   2H6     A 216          2H6         A 216  10.040 -15.877  -9.392
  600    H2     A 216           H2         A 216  14.980 -15.580 -11.131
  601   1H5*    G 217          1H5*        G 217  14.129 -21.301 -16.541
  602   2H5*    G 217          2H5*        G 217  14.648 -22.972 -16.318
  603    H4*    G 217           H4*        G 217  15.420 -21.779 -14.438
  604    H3*    G 217           H3*        G 217  12.857 -23.164 -13.558
  605   1H2*    G 217          1H2*        G 217  13.683 -22.827 -11.411
  606   2HO*    G 217          2HO*        G 217  16.225 -22.536 -12.735
  607    H1*    G 217           H1*        G 217  15.200 -20.476 -12.140
  608    H8     G 217           H8         G 217  11.468 -20.800 -12.803
  609    H1     G 217           H1         G 217  13.007 -17.702  -7.333
  610   1H2     G 217          1H2         G 217  15.044 -17.812  -7.028
  611   2H2     G 217          2H2         G 217  16.168 -18.623  -8.096
  612   1H5*    U 218          1H5*        U 218  15.932 -25.427 -12.017
  613   2H5*    U 218          2H5*        U 218  15.619 -27.157 -11.881
  614    H4*    U 218           H4*        U 218  16.047 -26.493  -9.696
  615    H3*    U 218           H3*        U 218  13.055 -26.581 -10.117
  616   1H2*    U 218          1H2*        U 218  12.764 -26.146  -7.830
  617   2HO*    U 218          2HO*        U 218  15.598 -26.618  -7.634
  618    H1*    U 218           H1*        U 218  14.922 -24.301  -7.678
  619    H3     U 218           H3         U 218  11.622 -21.379  -6.843
  620    H5     U 218           H5         U 218  10.686 -22.754 -10.686
  621    H6     U 218           H6         U 218  12.564 -24.316 -10.478
  622   1H5*    C 219          1H5*        C 219  14.078 -28.903  -6.931
  623   2H5*    C 219          2H5*        C 219  13.282 -30.473  -6.828
  624    H4*    C 219           H4*        C 219  12.847 -29.474  -4.772
  625    H3*    C 219           H3*        C 219  10.487 -29.228  -6.607
  626   1H2*    C 219          1H2*        C 219   9.262 -28.080  -4.959
  627   2HO*    C 219          2HO*        C 219  11.473 -28.836  -3.274
  628    H1*    C 219           H1*        C 219  11.419 -26.458  -4.144
  629   1H4     C 219          1H4         C 219   8.304 -22.607  -8.137
  630   2H4     C 219          2H4         C 219   8.678 -23.658  -9.484
  631    H5     C 219           H5         C 219   9.830 -25.709  -9.272
  632    H6     C 219           H6         C 219  10.919 -27.271  -7.698
  633   1H5*    C 220          1H5*        C 220   8.950 -31.378  -3.385
  634   2H5*    C 220          2H5*        C 220   8.279 -32.954  -3.802
  635    H4*    C 220           H4*        C 220   6.490 -32.000  -2.751
  636    H3*    C 220           H3*        C 220   6.230 -31.461  -5.683
  637   1H2*    C 220          1H2*        C 220   4.273 -30.181  -5.349
  638   2HO*    C 220          2HO*        C 220   4.559 -31.078  -2.626
  639    H1*    C 220           H1*        C 220   5.336 -28.735  -3.182
  640   1H4     C 220          1H4         C 220   6.467 -24.751  -8.006
  641   2H4     C 220          2H4         C 220   7.493 -25.934  -8.786
  642    H5     C 220           H5         C 220   7.869 -28.109  -7.944
  643    H6     C 220           H6         C 220   7.346 -29.699  -6.129
   
  No H/Q in entry =         643
  Start of MODEL    2
    1    H    MET   1           HN       MET   1   4.898 -12.124   5.616
    2    HA   MET   1           HA       MET   1   3.499 -10.471   5.805
    3   1HB   MET   1          2HB       MET   1   5.997  -9.249   5.019
    4   2HB   MET   1          3HB       MET   1   4.727  -8.387   4.174
    5   1HG   MET   1          2HG       MET   1   4.446  -8.974   7.141
    6   2HG   MET   1          3HG       MET   1   5.409  -7.612   6.603
    7   1HE   MET   1          2HE       MET   1   4.561  -5.548   5.432
    8   2HE   MET   1          3HE       MET   1   4.023  -6.519   4.039
    9   3HE   MET   1          1HE       MET   1   2.921  -5.330   4.774
   10    H    GLN   2           HN       GLN   2   2.830 -12.279   3.835
   11    HA   GLN   2           HA       GLN   2   1.966 -12.556   1.804
   12   1HB   GLN   2          2HB       GLN   2  -0.247 -11.472   1.651
   13   2HB   GLN   2          3HB       GLN   2   0.075 -12.000   3.290
   14   1HG   GLN   2          2HG       GLN   2   1.017  -9.558   3.639
   15   2HG   GLN   2          3HG       GLN   2   0.129  -9.178   2.177
   16   1HE2  GLN   2          2HE2      GLN   2  -2.154  -8.376   4.902
   17   2HE2  GLN   2          1HE2      GLN   2  -0.679  -7.811   4.193
   18    H    LYS   3           HN       LYS   3   4.205 -11.359   1.091
   19    HA   LYS   3           HA       LYS   3   3.594  -9.986  -1.234
   20   1HB   LYS   3          2HB       LYS   3   3.154  -8.250   0.780
   21   2HB   LYS   3          3HB       LYS   3   4.873  -7.987   0.565
   22   1HG   LYS   3          2HG       LYS   3   4.561  -7.492  -1.822
   23   2HG   LYS   3          3HG       LYS   3   2.867  -7.932  -1.736
   24   1HD   LYS   3          2HD       LYS   3   2.261  -5.975  -0.618
   25   2HD   LYS   3          3HD       LYS   3   3.815  -5.811   0.173
   26   1HE   LYS   3          2HE       LYS   3   4.174  -5.610  -2.711
   27   2HE   LYS   3          3HE       LYS   3   2.922  -4.495  -2.202
   28   1HZ   LYS   3          1HZ       LYS   3   5.631  -4.112  -1.919
   29   2HZ   LYS   3          2HZ       LYS   3   4.469  -3.203  -1.228
   30    H    GLY   4           HN       GLY   4   5.028 -12.005  -1.399
   31   1HA   GLY   4          1HA       GLY   4   7.658 -12.047  -0.484
   32   2HA   GLY   4          2HA       GLY   4   7.032 -12.891  -1.886
   33    H    ASN   5           HN       ASN   5   6.118 -10.244  -3.133
   34    HA   ASN   5           HA       ASN   5   8.344  -9.851  -4.702
   35   1HB   ASN   5          2HB       ASN   5   5.752  -9.158  -4.942
   36   2HB   ASN   5          3HB       ASN   5   6.324  -7.625  -4.313
   37   1HD2  ASN   5          1HD2      ASN   5   6.630  -6.225  -5.854
   38   2HD2  ASN   5          2HD2      ASN   5   7.337  -6.505  -7.410
   39    H    PHE   6           HN       PHE   6   7.595  -8.783  -1.499
   40    HA   PHE   6           HA       PHE   6   8.694  -6.238  -1.441
   41   1HB   PHE   6          2HB       PHE   6   7.401  -7.145   0.423
   42   2HB   PHE   6          3HB       PHE   6   8.402  -8.580   0.510
   43    HD1  PHE   6           HD1      PHE   6  10.693  -8.429   1.472
   44    HD2  PHE   6           HD2      PHE   6   8.004  -5.149   1.583
   45    HE1  PHE   6           HE1      PHE   6  12.082  -7.352   3.263
   46    HE2  PHE   6           HE2      PHE   6   9.392  -4.071   3.375
   47    HZ   PHE   6           HZ       PHE   6  11.415  -5.186   4.193
   48    H    ARG   7           HN       ARG   7  10.210  -9.277  -2.042
   49    HA   ARG   7           HA       ARG   7  12.614  -8.911  -0.751
   50   1HB   ARG   7          2HB       ARG   7  11.873 -10.382  -3.322
   51   2HB   ARG   7          3HB       ARG   7  13.490 -10.455  -2.650
   52   1HG   ARG   7          2HG       ARG   7  12.584 -11.362  -0.516
   53   2HG   ARG   7          3HG       ARG   7  10.952 -11.239  -1.139
   54   1HD   ARG   7          2HD       ARG   7  13.133 -12.916  -2.467
   55   2HD   ARG   7          3HD       ARG   7  11.988 -13.564  -1.310
   56    HE   ARG   7           HE       ARG   7  11.399 -12.701  -4.075
   57   1HH1  ARG   7          2HH2      ARG   7  10.079 -13.694  -0.940
   58   2HH1  ARG   7          1HH2      ARG   7   8.529 -14.121  -1.588
   59    HH2  ARG   7           HH1      ARG   7   8.127 -13.860  -3.936
   60    H    ASN   8           HN       ASN   8  11.187  -7.088  -3.269
   61    HA   ASN   8           HA       ASN   8  13.262  -6.555  -4.953
   62   1HB   ASN   8          2HB       ASN   8  12.064  -4.428  -5.444
   63   2HB   ASN   8          3HB       ASN   8  10.923  -5.748  -5.289
   64   1HD2  ASN   8          2HD2      ASN   8  10.050  -2.567  -3.311
   65   2HD2  ASN   8          1HD2      ASN   8  10.737  -2.797  -4.884
   66    H    GLN   9           HN       GLN   9  12.795  -5.756  -1.581
   67    HA   GLN   9           HA       GLN   9  14.178  -3.364  -1.441
   68   1HB   GLN   9          2HB       GLN   9  13.711  -5.592   0.576
   69   2HB   GLN   9          3HB       GLN   9  14.559  -4.120   1.005
   70   1HG   GLN   9          2HG       GLN   9  12.384  -3.014  -0.204
   71   2HG   GLN   9          3HG       GLN   9  11.660  -4.518   0.332
   72   1HE2  GLN   9          2HE2      GLN   9  11.067  -2.178   3.059
   73   2HE2  GLN   9          1HE2      GLN   9  10.562  -2.482   1.431
   74    H    ARG  10           HN       ARG  10  15.270  -6.487  -2.311
   75    HA   ARG  10           HA       ARG  10  17.766  -6.488  -1.100
   76   1HB   ARG  10          2HB       ARG  10  18.325  -8.249  -2.726
   77   2HB   ARG  10          3HB       ARG  10  16.679  -8.483  -2.173
   78   1HG   ARG  10          2HG       ARG  10  15.753  -7.554  -4.204
   79   2HG   ARG  10          3HG       ARG  10  17.303  -6.906  -4.702
   80   1HD   ARG  10          2HD       ARG  10  17.661  -8.821  -5.870
   81   2HD   ARG  10          3HD       ARG  10  17.779  -9.677  -4.345
   82    HE   ARG  10           HE       ARG  10  15.467  -9.635  -6.158
   83   1HH1  ARG  10          2HH2      ARG  10  16.565 -10.306  -2.856
   84   2HH1  ARG  10          1HH2      ARG  10  15.231 -11.351  -2.493
   85    HH2  ARG  10           HH1      ARG  10  13.565 -11.753  -4.167
   86    H    LYS  11           HN       LYS  11  16.425  -4.531  -3.606
   87    HA   LYS  11           HA       LYS  11  19.126  -3.800  -4.504
   88   1HB   LYS  11          2HB       LYS  11  17.897  -4.828  -6.316
   89   2HB   LYS  11          3HB       LYS  11  16.511  -3.793  -6.035
   90   1HG   LYS  11          2HG       LYS  11  17.577  -1.882  -6.898
   91   2HG   LYS  11          3HG       LYS  11  19.184  -2.482  -6.537
   92   1HD   LYS  11          2HD       LYS  11  17.388  -3.772  -8.638
   93   2HD   LYS  11          3HD       LYS  11  18.500  -2.474  -9.021
   94   1HE   LYS  11          2HE       LYS  11  19.540  -4.896  -7.530
   95   2HE   LYS  11          3HE       LYS  11  19.257  -5.020  -9.255
   96   1HZ   LYS  11          1HZ       LYS  11  20.927  -2.887  -8.038
   97   2HZ   LYS  11          2HZ       LYS  11  21.539  -4.259  -8.668
   98    H    THR  12           HN       THR  12  17.884  -2.869  -2.061
   99    HA   THR  12           HA       THR  12  17.055  -1.007  -1.069
  100    HB   THR  12           HB       THR  12  19.626  -0.821  -1.605
  101    HG1  THR  12           HG1      THR  12  18.432   0.435   0.006
  102   1HG2  THR  12          1HG2      THR  12  18.595   0.429  -3.945
  103   2HG2  THR  12          2HG2      THR  12  19.131   1.763  -2.896
  104   3HG2  THR  12          3HG2      THR  12  20.277   0.484  -3.366
  105    H    VAL  13           HN       VAL  13  15.204  -1.621  -2.949
  106    HA   VAL  13           HA       VAL  13  14.630  -0.038  -5.005
  107    HB   VAL  13           HB       VAL  13  12.223  -0.203  -4.240
  108   1HG1  VAL  13          3HG1      VAL  13  14.107  -2.271  -4.981
  109   2HG1  VAL  13          1HG1      VAL  13  12.799  -2.947  -3.982
  110   3HG1  VAL  13          2HG1      VAL  13  12.410  -2.054  -5.472
  111   1HG2  VAL  13          3HG2      VAL  13  13.561  -1.534  -1.867
  112   2HG2  VAL  13          1HG2      VAL  13  12.448  -0.145  -1.859
  113   3HG2  VAL  13          2HG2      VAL  13  11.847  -1.764  -2.293
  114    H    LYS  14           HN       LYS  14  13.428   1.978  -5.336
  115    HA   LYS  14           HA       LYS  14  14.051   3.886  -3.200
  116   1HB   LYS  14          2HB       LYS  14  14.420   5.507  -4.817
  117   2HB   LYS  14          3HB       LYS  14  15.079   4.065  -5.563
  118   1HG   LYS  14          2HG       LYS  14  12.407   3.959  -6.351
  119   2HG   LYS  14          3HG       LYS  14  12.718   5.682  -6.347
  120   1HD   LYS  14          2HD       LYS  14  14.854   3.993  -7.590
  121   2HD   LYS  14          3HD       LYS  14  13.326   4.026  -8.447
  122   1HE   LYS  14          2HE       LYS  14  13.474   6.309  -8.931
  123   2HE   LYS  14          3HE       LYS  14  14.412   6.667  -7.494
  124   1HZ   LYS  14          1HZ       LYS  14  15.385   5.455 -10.011
  125   2HZ   LYS  14          2HZ       LYS  14  15.935   6.796  -9.269
  126    H    CYS  15           HN       CYS  15  12.458   5.261  -2.375
  127    HA   CYS  15           HA       CYS  15   9.811   4.255  -2.627
  128   1HB   CYS  15          2HB       CYS  15  10.695   5.088  -0.482
  129   2HB   CYS  15          3HB       CYS  15  10.856   6.698  -1.156
  130    H    PHE  16           HN       PHE  16   8.467   4.787  -4.312
  131    HA   PHE  16           HA       PHE  16   9.126   7.006  -5.993
  132   1HB   PHE  16          2HB       PHE  16   7.007   4.815  -5.789
  133   2HB   PHE  16          3HB       PHE  16   6.764   6.118  -6.934
  134    HD1  PHE  16           HD1      PHE  16   9.494   6.562  -7.945
  135    HD2  PHE  16           HD2      PHE  16   7.457   2.941  -7.082
  136    HE1  PHE  16           HE1      PHE  16  10.925   5.359  -9.619
  137    HE2  PHE  16           HE2      PHE  16   8.888   1.738  -8.756
  138    HZ   PHE  16           HZ       PHE  16  10.605   2.961 -10.005
  139    H    ASN  17           HN       ASN  17   7.944   7.112  -2.996
  140    HA   ASN  17           HA       ASN  17   5.720   8.858  -3.640
  141   1HB   ASN  17          2HB       ASN  17   5.649   6.934  -1.842
  142   2HB   ASN  17          3HB       ASN  17   6.593   8.020  -0.841
  143   1HD2  ASN  17          2HD2      ASN  17   3.495   9.093   0.402
  144   2HD2  ASN  17          1HD2      ASN  17   4.912   8.129   0.652
  145    H    CYS  18           HN       CYS  18   8.562   8.632  -1.357
  146    HA   CYS  18           HA       CYS  18   8.609  11.524  -1.191
  147   1HB   CYS  18          2HB       CYS  18  10.312  11.153   0.581
  148   2HB   CYS  18          3HB       CYS  18   8.781  10.368   0.916
  149    H    GLY  19           HN       GLY  19  10.472   8.685  -2.372
  150   1HA   GLY  19          1HA       GLY  19  11.778   8.839  -4.330
  151   2HA   GLY  19          2HA       GLY  19  12.116  10.522  -3.981
  152    H    LYS  20           HN       LYS  20  12.188   8.069  -1.401
  153    HA   LYS  20           HA       LYS  20  15.039   8.598  -1.113
  154   1HB   LYS  20          2HB       LYS  20  12.841   7.687   0.711
  155   2HB   LYS  20          3HB       LYS  20  14.491   7.238   1.093
  156   1HG   LYS  20          2HG       LYS  20  15.206   9.545   1.193
  157   2HG   LYS  20          3HG       LYS  20  13.732  10.113   0.433
  158   1HD   LYS  20          2HD       LYS  20  12.419   9.316   2.425
  159   2HD   LYS  20          3HD       LYS  20  13.911   8.800   3.187
  160   1HE   LYS  20          2HE       LYS  20  14.276  10.901   3.959
  161   2HE   LYS  20          3HE       LYS  20  14.275  11.529   2.323
  162   1HZ   LYS  20          1HZ       LYS  20  12.502  12.587   3.493
  163   2HZ   LYS  20          2HZ       LYS  20  11.773  11.528   2.493
  164    H    GLU  21           HN       GLU  21  15.998   6.347   0.109
  165    HA   GLU  21           HA       GLU  21  15.337   4.198  -1.735
  166   1HB   GLU  21          2HB       GLU  21  17.850   5.694  -1.600
  167   2HB   GLU  21          3HB       GLU  21  18.122   3.992  -1.287
  168   1HG   GLU  21          2HG       GLU  21  17.264   3.325  -3.396
  169   2HG   GLU  21          3HG       GLU  21  16.353   4.807  -3.608
  170    HE2  GLU  21           HE2      GLU  21  19.689   3.699  -4.592
  171    H    GLY  22           HN       GLY  22  14.840   2.374  -0.601
  172   1HA   GLY  22          1HA       GLY  22  16.014   0.839   1.059
  173   2HA   GLY  22          2HA       GLY  22  15.836   2.183   2.170
  174    H    HIS  23           HN       HIS  23  13.195   2.641   0.296
  175    HA   HIS  23           HA       HIS  23  11.557   0.502   1.251
  176   1HB   HIS  23          2HB       HIS  23  10.214   1.653   2.776
  177   2HB   HIS  23          3HB       HIS  23  11.855   2.069   3.232
  178    HD1  HIS  23           HD1      HIS  23  12.637   4.537   2.851
  179    HD2  HIS  23           HD2      HIS  23   8.652   3.792   1.775
  180    HE1  HIS  23           HE1      HIS  23  11.544   6.820   2.533
  181    H    ILE  24           HN       ILE  24   9.308   0.694   0.391
  182    HA   ILE  24           HA       ILE  24   9.336   2.367  -2.021
  183    HB   ILE  24           HB       ILE  24   7.978   0.740  -3.074
  184   1HG1  ILE  24          2HG1      ILE  24   7.851  -0.793  -0.461
  185   2HG1  ILE  24          3HG1      ILE  24   6.564   0.226  -1.077
  186   1HG2  ILE  24          3HG2      ILE  24  10.573   0.280  -2.331
  187   2HG2  ILE  24          1HG2      ILE  24   9.766  -1.217  -1.805
  188   3HG2  ILE  24          2HG2      ILE  24   9.646  -0.691  -3.501
  189   1HD1  ILE  24          1HD1      ILE  24   7.756  -2.119  -2.625
  190   2HD1  ILE  24          2HD1      ILE  24   6.273  -2.213  -1.643
  191   3HD1  ILE  24          3HD1      ILE  24   6.326  -1.161  -3.078
  192    H    ALA  25           HN       ALA  25   7.199   3.250  -2.709
  193    HA   ALA  25           HA       ALA  25   6.057   4.792  -0.770
  194   1HB   ALA  25          2HB       ALA  25   5.025   3.750  -3.428
  195   2HB   ALA  25          3HB       ALA  25   4.128   4.939  -2.454
  196   3HB   ALA  25          1HB       ALA  25   5.749   5.336  -3.070
  197    H    LYS  26           HN       LYS  26   5.285   1.439  -1.751
  198    HA   LYS  26           HA       LYS  26   2.830   1.236  -0.455
  199   1HB   LYS  26          2HB       LYS  26   4.878  -0.947  -0.928
  200   2HB   LYS  26          3HB       LYS  26   3.165  -1.167  -0.635
  201   1HG   LYS  26          2HG       LYS  26   3.930   0.663  -2.896
  202   2HG   LYS  26          3HG       LYS  26   4.221  -1.049  -3.133
  203   1HD   LYS  26          2HD       LYS  26   1.538  -0.200  -2.038
  204   2HD   LYS  26          3HD       LYS  26   1.855   0.066  -3.740
  205   1HE   LYS  26          2HE       LYS  26   2.474  -2.366  -3.980
  206   2HE   LYS  26          3HE       LYS  26   2.082  -2.616  -2.291
  207   1HZ   LYS  26          1HZ       LYS  26  -0.116  -1.340  -3.400
  208   2HZ   LYS  26          2HZ       LYS  26   0.300  -2.475  -4.491
  209    H    ASN  27           HN       ASN  27   6.208   0.675   0.695
  210    HA   ASN  27           HA       ASN  27   5.149   0.175   3.330
  211   1HB   ASN  27          2HB       ASN  27   7.945   0.043   2.106
  212   2HB   ASN  27          3HB       ASN  27   7.694  -0.126   3.833
  213   1HD2  ASN  27          2HD2      ASN  27   6.187  -2.978   1.213
  214   2HD2  ASN  27          1HD2      ASN  27   6.374  -1.321   0.747
  215    H    CYS  28           HN       CYS  28   5.443   2.873   1.613
  216    HA   CYS  28           HA       CYS  28   7.207   4.401   3.283
  217   1HB   CYS  28          2HB       CYS  28   7.057   4.879   0.876
  218   2HB   CYS  28          3HB       CYS  28   5.355   5.261   1.036
  219    H    ARG  29           HN       ARG  29   6.576   5.582   5.082
  220    HA   ARG  29           HA       ARG  29   3.984   5.154   6.059
  221   1HB   ARG  29          2HB       ARG  29   6.445   6.640   6.956
  222   2HB   ARG  29          3HB       ARG  29   4.932   7.102   7.707
  223   1HG   ARG  29          2HG       ARG  29   4.726   5.111   8.846
  224   2HG   ARG  29          3HG       ARG  29   5.353   4.160   7.514
  225   1HD   ARG  29          2HD       ARG  29   7.328   4.007   8.623
  226   2HD   ARG  29          3HD       ARG  29   7.558   5.726   8.371
  227    HE   ARG  29           HE       ARG  29   6.810   6.158  10.584
  228   1HH1  ARG  29          2HH2      ARG  29   6.422   2.728   9.784
  229   2HH1  ARG  29          1HH2      ARG  29   6.134   2.251  11.423
  230    HH2  ARG  29           HH1      ARG  29   6.144   3.913  13.150
  231    H    ALA  30           HN       ALA  30   5.614   7.724   4.227
  232    HA   ALA  30           HA       ALA  30   3.936   9.859   4.797
  233   1HB   ALA  30          1HB       ALA  30   6.179   9.516   3.354
  234   2HB   ALA  30          2HB       ALA  30   5.000   9.504   2.022
  235   3HB   ALA  30          3HB       ALA  30   5.096  10.908   3.112
  236    HA   PRO  31           HA       PRO  31   0.273   8.933   2.694
  237   1HB   PRO  31          2HB       PRO  31  -0.620  11.391   1.902
  238   2HB   PRO  31          3HB       PRO  31  -0.795  10.789   3.539
  239   1HG   PRO  31          2HG       PRO  31   1.092  12.815   2.500
  240   2HG   PRO  31          3HG       PRO  31   0.610  12.510   4.158
  241   1HD   PRO  31          2HD       PRO  31   3.081  11.740   2.918
  242   2HD   PRO  31          3HD       PRO  31   2.550  11.336   4.539
  243    H    ARG  32           HN       ARG  32  -0.656   8.292   0.769
  244    HA   ARG  32           HA       ARG  32   1.108   8.086  -1.304
  245   1HB   ARG  32          2HB       ARG  32  -1.949   8.068  -1.455
  246   2HB   ARG  32          3HB       ARG  32  -0.873   7.375  -2.653
  247   1HG   ARG  32          2HG       ARG  32  -1.015   6.499   0.272
  248   2HG   ARG  32          3HG       ARG  32  -1.788   5.661  -1.059
  249   1HD   ARG  32          2HD       ARG  32   1.085   6.174  -1.556
  250   2HD   ARG  32          3HD       ARG  32   0.812   5.199  -0.126
  251    HE   ARG  32           HE       ARG  32   0.587   4.263  -2.784
  252   1HH1  ARG  32          2HH2      ARG  32  -1.362   4.192   0.174
  253   2HH1  ARG  32          1HH2      ARG  32  -2.146   2.701  -0.229
  254    HH2  ARG  32           HH1      ARG  32  -1.593   1.605  -2.287
  255    H    LYS  33           HN       LYS  33   1.993   9.789  -2.444
  256    HA   LYS  33           HA       LYS  33   0.133  11.707  -3.600
  257   1HB   LYS  33          2HB       LYS  33   1.387  13.626  -2.891
  258   2HB   LYS  33          3HB       LYS  33   0.933  12.704  -1.472
  259   1HG   LYS  33          2HG       LYS  33   3.401  11.580  -2.181
  260   2HG   LYS  33          3HG       LYS  33   3.623  13.278  -2.555
  261   1HD   LYS  33          2HD       LYS  33   2.288  12.672   0.062
  262   2HD   LYS  33          3HD       LYS  33   3.980  12.232  -0.057
  263   1HE   LYS  33          2HE       LYS  33   4.464  14.595  -0.886
  264   2HE   LYS  33          3HE       LYS  33   2.791  15.000  -0.559
  265   1HZ   LYS  33          1HZ       LYS  33   3.269  14.166   1.791
  266   2HZ   LYS  33          2HZ       LYS  33   4.851  14.209   1.411
  267    H    LYS  34           HN       LYS  34   1.832  13.310  -4.994
  268    HA   LYS  34           HA       LYS  34   3.728  11.532  -6.317
  269   1HB   LYS  34          2HB       LYS  34   1.193  12.544  -7.460
  270   2HB   LYS  34          3HB       LYS  34   2.605  12.779  -8.471
  271   1HG   LYS  34          2HG       LYS  34   3.153  10.392  -8.380
  272   2HG   LYS  34          3HG       LYS  34   1.911  10.102  -7.178
  273   1HD   LYS  34          2HD       LYS  34   0.149  10.748  -8.812
  274   2HD   LYS  34          3HD       LYS  34   1.373  11.111 -10.012
  275   1HE   LYS  34          2HE       LYS  34   2.120   8.560  -9.400
  276   2HE   LYS  34          3HE       LYS  34   0.413   8.445  -9.021
  277   1HZ   LYS  34          1HZ       LYS  34  -0.075   8.476 -11.205
  278   2HZ   LYS  34          2HZ       LYS  34   0.820   9.804 -11.498
  279    H    GLY  35           HN       GLY  35   4.511  13.389  -4.493
  280   1HA   GLY  35          1HA       GLY  35   4.960  15.949  -5.760
  281   2HA   GLY  35          2HA       GLY  35   5.504  15.420  -4.179
  282    H    CYS  36           HN       CYS  36   6.538  16.251  -7.266
  283    HA   CYS  36           HA       CYS  36   8.449  14.391  -7.905
  284   1HB   CYS  36          2HB       CYS  36   7.892  16.110  -9.472
  285   2HB   CYS  36          3HB       CYS  36   8.358  17.383  -8.361
  286    H    TRP  37           HN       TRP  37  10.289  13.725  -6.844
  287    HA   TRP  37           HA       TRP  37  11.092  15.171  -4.480
  288   1HB   TRP  37          2HB       TRP  37  12.760  12.921  -5.268
  289   2HB   TRP  37          3HB       TRP  37  11.895  13.224  -3.775
  290    HD1  TRP  37           HD1      TRP  37   9.080  12.602  -3.983
  291    HE1  TRP  37           HE1      TRP  37   7.882  10.544  -5.118
  292    HE3  TRP  37           HE3      TRP  37  12.957  11.355  -7.027
  293    HZ2  TRP  37           HZ2      TRP  37   8.673   8.667  -7.118
  294    HZ3  TRP  37           HZ3      TRP  37  12.661   9.396  -8.540
  295    HH2  TRP  37           HH2      TRP  37  10.610   8.070  -8.616
  296    H    LYS  38           HN       LYS  38  11.350  16.618  -6.984
  297    HA   LYS  38           HA       LYS  38  14.265  16.889  -7.008
  298   1HB   LYS  38          2HB       LYS  38  12.872  15.737  -9.097
  299   2HB   LYS  38          3HB       LYS  38  12.977  17.413  -9.598
  300   1HG   LYS  38          2HG       LYS  38  14.954  16.191 -10.398
  301   2HG   LYS  38          3HG       LYS  38  15.444  17.386  -9.212
  302   1HD   LYS  38          2HD       LYS  38  14.884  15.105  -7.660
  303   2HD   LYS  38          3HD       LYS  38  15.643  14.447  -9.096
  304   1HE   LYS  38          2HE       LYS  38  17.692  15.300  -8.547
  305   2HE   LYS  38          3HE       LYS  38  17.028  16.864  -8.117
  306   1HZ   LYS  38          1HZ       LYS  38  16.399  14.725  -6.257
  307   2HZ   LYS  38          2HZ       LYS  38  17.975  15.125  -6.315
  308    H    CYS  39           HN       CYS  39  11.058  18.318  -7.901
  309    HA   CYS  39           HA       CYS  39  12.242  20.930  -7.316
  310   1HB   CYS  39          2HB       CYS  39  10.302  21.847  -8.632
  311   2HB   CYS  39          3HB       CYS  39  11.461  20.918  -9.564
  312    H    GLY  40           HN       GLY  40   9.718  18.527  -6.597
  313   1HA   GLY  40          1HA       GLY  40   8.700  18.334  -4.517
  314   2HA   GLY  40          2HA       GLY  40   9.024  20.023  -4.179
  315    H    LYS  41           HN       LYS  41   7.783  19.181  -7.375
  316    HA   LYS  41           HA       LYS  41   5.272  20.484  -6.641
  317   1HB   LYS  41          2HB       LYS  41   7.050  20.758  -8.829
  318   2HB   LYS  41          3HB       LYS  41   5.595  20.022  -9.471
  319   1HG   LYS  41          2HG       LYS  41   5.091  22.322  -9.587
  320   2HG   LYS  41          3HG       LYS  41   4.305  21.841  -8.096
  321   1HD   LYS  41          2HD       LYS  41   6.059  22.769  -6.737
  322   2HD   LYS  41          3HD       LYS  41   7.158  22.898  -8.097
  323   1HE   LYS  41          2HE       LYS  41   6.279  25.124  -7.590
  324   2HE   LYS  41          3HE       LYS  41   5.642  24.613  -9.140
  325   1HZ   LYS  41          1HZ       LYS  41   4.222  25.025  -6.650
  326   2HZ   LYS  41          2HZ       LYS  41   3.672  25.151  -8.178
  327    H    GLU  42           HN       GLU  42   3.514  19.255  -6.262
  328    HA   GLU  42           HA       GLU  42   3.657  16.480  -6.878
  329   1HB   GLU  42          2HB       GLU  42   1.395  16.424  -5.761
  330   2HB   GLU  42          3HB       GLU  42   2.661  17.122  -4.770
  331   1HG   GLU  42          2HG       GLU  42   1.903  19.382  -5.227
  332   2HG   GLU  42          3HG       GLU  42   0.829  18.838  -6.500
  333    HE2  GLU  42           HE2      GLU  42  -0.726  19.428  -3.188
  334    H    GLY  43           HN       GLY  43   2.940  15.514  -8.730
  335   1HA   GLY  43          1HA       GLY  43   0.711  15.590 -10.069
  336   2HA   GLY  43          2HA       GLY  43   1.346  17.141 -10.582
  337    H    HIS  44           HN       HIS  44   4.061  16.744 -10.902
  338    HA   HIS  44           HA       HIS  44   4.058  14.802 -13.075
  339   1HB   HIS  44          2HB       HIS  44   5.844  16.054 -14.034
  340   2HB   HIS  44          3HB       HIS  44   4.587  17.182 -13.567
  341    HD1  HIS  44           HD1      HIS  44   5.164  18.970 -11.817
  342    HD2  HIS  44           HD2      HIS  44   8.218  16.154 -12.396
  343    HE1  HIS  44           HE1      HIS  44   7.215  19.878 -10.600
  344    H    GLN  45           HN       GLN  45   6.652  14.113 -13.405
  345    HA   GLN  45           HA       GLN  45   7.442  13.099 -10.789
  346   1HB   GLN  45          2HB       GLN  45   7.286  11.594 -13.431
  347   2HB   GLN  45          3HB       GLN  45   8.212  11.000 -12.066
  348   1HG   GLN  45          2HG       GLN  45   6.342  10.269 -10.997
  349   2HG   GLN  45          3HG       GLN  45   5.532  11.810 -11.207
  350   1HE2  GLN  45          2HE2      GLN  45   5.364   9.322 -14.511
  351   2HE2  GLN  45          1HE2      GLN  45   6.857   9.706 -13.720
  352    H    MET  46           HN       MET  46   9.787  12.599 -10.595
  353    HA   MET  46           HA       MET  46  11.353  14.628 -11.464
  354   1HB   MET  46          2HB       MET  46  11.981  13.097  -9.630
  355   2HB   MET  46          3HB       MET  46  12.054  11.734 -10.731
  356   1HG   MET  46          2HG       MET  46  13.803  13.628 -11.884
  357   2HG   MET  46          3HG       MET  46  14.097  13.778 -10.163
  358   1HE   MET  46          1HE       MET  46  13.743  11.644 -13.161
  359   2HE   MET  46          2HE       MET  46  15.518  11.782 -13.164
  360   3HE   MET  46          3HE       MET  46  14.748  10.201 -12.886
  361    H    LYS  47           HN       LYS  47  10.732  11.450 -13.029
  362    HA   LYS  47           HA       LYS  47  12.725  11.582 -14.955
  363   1HB   LYS  47          2HB       LYS  47  10.952   9.723 -14.226
  364   2HB   LYS  47          3HB       LYS  47  10.084  10.347 -15.614
  365   1HG   LYS  47          2HG       LYS  47  11.529   9.371 -17.077
  366   2HG   LYS  47          3HG       LYS  47  12.927  10.013 -16.241
  367   1HD   LYS  47          2HD       LYS  47  13.160   7.655 -16.025
  368   2HD   LYS  47          3HD       LYS  47  12.539   8.165 -14.468
  369   1HE   LYS  47          2HE       LYS  47  10.713   6.845 -14.721
  370   2HE   LYS  47          3HE       LYS  47  10.279   7.680 -16.199
  371   1HZ   LYS  47          1HZ       LYS  47  10.661   5.402 -16.750
  372   2HZ   LYS  47          2HZ       LYS  47  11.948   6.203 -17.343
  373    H    ASP  48           HN       ASP  48   9.438  13.023 -14.818
  374    HA   ASP  48           HA       ASP  48  10.058  14.302 -17.360
  375   1HB   ASP  48          2HB       ASP  48   7.505  13.458 -15.997
  376   2HB   ASP  48          3HB       ASP  48   7.437  14.877 -17.023
  377    HD2  ASP  48           HD2      ASP  48   5.944  13.041 -18.210
  378    H    CYS  49           HN       CYS  49  11.138  15.124 -14.720
  379    HA   CYS  49           HA       CYS  49   9.777  16.985 -13.338
  380   1HB   CYS  49          2HB       CYS  49  12.102  16.192 -12.873
  381   2HB   CYS  49          3HB       CYS  49  12.692  17.241 -14.148
  382    H    THR  50           HN       THR  50   8.537  18.666 -14.099
  383    HA   THR  50           HA       THR  50   9.054  19.804 -16.679
  384    HB   THR  50           HB       THR  50   7.009  21.125 -16.093
  385    HG1  THR  50           HG1      THR  50   6.194  20.496 -13.843
  386   1HG2  THR  50          1HG2      THR  50   7.064  18.363 -16.405
  387   2HG2  THR  50          2HG2      THR  50   6.260  18.536 -14.826
  388   3HG2  THR  50          3HG2      THR  50   5.575  19.329 -16.266
  389    H    GLU  51           HN       GLU  51  10.658  20.160 -13.800
  390    HA   GLU  51           HA       GLU  51  10.930  23.023 -14.059
  391   1HB   GLU  51          2HB       GLU  51  10.727  21.642 -11.825
  392   2HB   GLU  51          3HB       GLU  51  12.430  21.304 -12.064
  393   1HG   GLU  51          2HG       GLU  51  12.111  23.311 -10.639
  394   2HG   GLU  51          3HG       GLU  51  12.944  23.723 -12.126
  395    HE1  GLU  51           HE2      GLU  51  10.209  24.767 -10.329
  396    H    ARG  52           HN       ARG  52  13.130  20.128 -13.818
  397    HA   ARG  52           HA       ARG  52  15.132  19.773 -14.566
  398   1HB   ARG  52          2HB       ARG  52  13.721  21.078 -16.871
  399   2HB   ARG  52          3HB       ARG  52  15.461  20.936 -17.030
  400   1HG   ARG  52          2HG       ARG  52  13.730  18.564 -16.220
  401   2HG   ARG  52          3HG       ARG  52  14.020  18.959 -17.902
  402   1HD   ARG  52          2HD       ARG  52  16.368  18.545 -17.727
  403   2HD   ARG  52          3HD       ARG  52  16.356  18.671 -15.980
  404    HE   ARG  52           HE       ARG  52  14.652  16.535 -16.485
  405   1HH1  ARG  52          2HH2      ARG  52  18.000  17.282 -17.374
  406   2HH1  ARG  52          1HH2      ARG  52  18.484  15.620 -17.443
  407    HH2  ARG  52           HH1      ARG  52  16.874  13.909 -16.970
  408    H    GLN  53           HN       GLN  53  15.407  21.653 -12.699
  409    HA   GLN  53           HA       GLN  53  17.686  23.012 -13.402
  410   1HB   GLN  53          2HB       GLN  53  15.748  24.376 -14.618
  411   2HB   GLN  53          3HB       GLN  53  15.490  25.051 -13.020
  412   1HG   GLN  53          2HG       GLN  53  17.900  25.724 -12.915
  413   2HG   GLN  53          3HG       GLN  53  18.158  25.049 -14.512
  414   1HE2  GLN  53          2HE2      GLN  53  17.241  27.913 -16.195
  415   2HE2  GLN  53          1HE2      GLN  53  18.112  26.418 -16.109
  416    H    ALA  54           HN       ALA  54  17.531  21.479 -11.345
  417    HA   ALA  54           HA       ALA  54  17.955  23.059  -9.113
  418   1HB   ALA  54          3HB       ALA  54  15.150  21.979  -9.417
  419   2HB   ALA  54          1HB       ALA  54  15.880  22.145  -7.801
  420   3HB   ALA  54          2HB       ALA  54  15.686  23.575  -8.842
  421    H    ASN  55           HN       ASN  55  17.856  21.492  -7.020
  422    HA   ASN  55           HA       ASN  55  18.701  18.873  -7.979
  423   1HB   ASN  55          2HB       ASN  55  20.346  18.911  -6.010
  424   2HB   ASN  55          3HB       ASN  55  20.724  20.030  -7.303
  425   1HD2  ASN  55          2HD2      ASN  55  20.510  22.917  -5.406
  426   2HD2  ASN  55          1HD2      ASN  55  20.886  22.128  -6.901
  427   1H5*    G 201          1H5*        G 201   0.422 -21.244  -5.036
  428   2H5*    G 201          2H5*        G 201   1.942 -20.395  -4.756
  429    H4*    G 201           H4*        G 201   0.832 -21.951  -2.924
  430    H3*    G 201           H3*        G 201   3.709 -21.380  -3.477
  431   1H2*    G 201          1H2*        G 201   4.435 -22.970  -1.888
  432   2HO*    G 201          2HO*        G 201   2.342 -22.189  -0.716
  433    H1*    G 201           H1*        G 201   2.739 -24.998  -2.748
  434    H8     G 201           H8         G 201   4.481 -22.481  -5.067
  435    H1     G 201           H1         G 201   7.091 -28.401  -4.897
  436   1H2     G 201          1H2         G 201   6.066 -29.567  -3.539
  437   2H2     G 201          2H2         G 201   4.703 -29.021  -2.588
  438   1H5*    G 202          1H5*        G 202   3.691 -21.042   0.192
  439   2H5*    G 202          2H5*        G 202   4.236 -19.620   1.081
  440    H4*    G 202           H4*        G 202   5.744 -21.258   1.718
  441    H3*    G 202           H3*        G 202   6.948 -19.638  -0.519
  442   1H2*    G 202          1H2*        G 202   8.957 -20.854  -0.299
  443   2HO*    G 202          2HO*        G 202   7.644 -21.887   2.050
  444    H1*    G 202           H1*        G 202   7.649 -23.347  -0.028
  445    H8     G 202           H8         G 202   6.613 -20.730  -2.617
  446    H1     G 202           H1         G 202  10.435 -25.455  -4.839
  447   1H2     G 202          1H2         G 202  11.012 -26.668  -3.273
  448   2H2     G 202          2H2         G 202  10.532 -26.439  -1.607
  449   1H5*    A 203          1H5*        A 203   9.778 -19.813   2.460
  450   2H5*    A 203          2H5*        A 203  10.295 -18.199   2.946
  451    H4*    A 203           H4*        A 203  12.285 -19.341   2.573
  452    H3*    A 203           H3*        A 203  11.575 -17.564   0.283
  453   1H2*    A 203          1H2*        A 203  13.356 -18.326  -1.029
  454   2HO*    A 203          2HO*        A 203  14.714 -19.946   0.593
  455    H1*    A 203           H1*        A 203  13.112 -21.042  -0.262
  456    H8     A 203           H8         A 203  10.084 -18.911  -1.198
  457   1H6     A 203          1H6         A 203  10.497 -21.629  -6.802
  458   2H6     A 203          2H6         A 203   9.544 -20.537  -5.823
  459    H2     A 203           H2         A 203  13.941 -22.984  -4.342
  460   1H5*    C 204          1H5*        C 204  15.790 -17.222   1.045
  461   2H5*    C 204          2H5*        C 204  16.328 -15.563   0.788
  462    H4*    C 204           H4*        C 204  17.605 -16.946  -0.650
  463    H3*    C 204           H3*        C 204  15.513 -15.325  -2.069
  464   1H2*    C 204          1H2*        C 204  16.213 -16.178  -4.153
  465   2HO*    C 204          2HO*        C 204  18.450 -15.970  -3.416
  466    H1*    C 204           H1*        C 204  16.477 -18.834  -3.153
  467   1H4     C 204          1H4         C 204  10.943 -19.072  -6.289
  468   2H4     C 204          2H4         C 204  10.218 -17.974  -5.136
  469    H5     C 204           H5         C 204  11.402 -16.964  -3.358
  470    H6     C 204           H6         C 204  13.592 -16.757  -2.238
  471   1H5*    U 205          1H5*        U 205  19.493 -14.332  -2.885
  472   2H5*    U 205          2H5*        U 205  20.126 -12.773  -3.415
  473    H4*    U 205           H4*        U 205  20.502 -14.431  -5.121
  474    H3*    U 205           H3*        U 205  18.589 -12.221  -5.745
  475   1H2*    U 205          1H2*        U 205  17.906 -13.184  -7.721
  476   2HO*    U 205          2HO*        U 205  20.219 -14.852  -7.746
  477    H1*    U 205           H1*        U 205  18.521 -15.912  -6.949
  478    H3     U 205           H3         U 205  14.243 -16.443  -8.278
  479    H5     U 205           H5         U 205  13.915 -13.940  -4.935
  480    H6     U 205           H6         U 205  16.365 -13.837  -4.896
  481   1H5*    A 206          1H5*        A 206  20.841 -12.159  -8.594
  482   2H5*    A 206          2H5*        A 206  21.730 -10.821  -9.320
  483    H4*    A 206           H4*        A 206  20.136 -11.299 -10.919
  484    H3*    A 206           H3*        A 206  18.845  -9.153  -9.195
  485   1H2*    A 206          1H2*        A 206  17.261  -8.987 -10.879
  486   2HO*    A 206          2HO*        A 206  19.359 -10.159 -12.469
  487    H1*    A 206           H1*        A 206  17.563 -11.711 -11.785
  488    H8     A 206           H8         A 206  16.798 -10.842  -8.160
  489   1H6     A 206          1H6         A 206  10.839 -12.008  -9.601
  490   2H6     A 206          2H6         A 206  11.931 -11.624  -8.290
  491    H2     A 206           H2         A 206  13.242 -12.238 -13.332
  492   1H5*    G 207          1H5*        G 207  19.894  -7.716 -12.663
  493   2H5*    G 207          2H5*        G 207  20.026  -6.014 -13.105
  494    H4*    G 207           H4*        G 207  18.031  -6.856 -14.079
  495    H3*    G 207           H3*        G 207  17.313  -5.235 -11.608
  496   1H2*    G 207          1H2*        G 207  15.144  -5.258 -12.429
  497   2HO*    G 207          2HO*        G 207  16.151  -6.026 -14.993
  498    H1*    G 207           H1*        G 207  15.447  -7.761 -13.837
  499    H8     G 207           H8         G 207  16.204  -7.393 -10.126
  500    H1     G 207           H1         G 207  10.267  -9.576 -11.496
  501   1H2     G 207          1H2         G 207   9.960  -9.504 -13.533
  502   2H2     G 207          2H2         G 207  11.136  -8.938 -14.698
  503   1H5*    C 208          1H5*        C 208  17.960  -1.821 -14.878
  504   2H5*    C 208          2H5*        C 208  17.676  -0.281 -14.066
  505    H4*    C 208           H4*        C 208  15.948  -0.832 -15.733
  506    H3*    C 208           H3*        C 208  15.248  -0.355 -12.876
  507   1H2*    C 208          1H2*        C 208  12.972  -0.867 -13.215
  508   2HO*    C 208          2HO*        C 208  12.665  -1.379 -15.741
  509    H1*    C 208           H1*        C 208  13.546  -3.142 -14.826
  510   1H4     C 208          1H4         C 208  12.130  -5.751  -9.195
  511   2H4     C 208          2H4         C 208  13.565  -5.046  -8.485
  512    H5     C 208           H5         C 208  15.033  -3.603  -9.641
  513    H6     C 208           H6         C 208  15.492  -2.469 -11.786
  514   1H5*    G 209          1H5*        G 209  13.532   2.153 -15.679
  515   2H5*    G 209          2H5*        G 209  12.808   3.755 -15.536
  516    H4*    G 209           H4*        G 209  11.097   2.235 -15.013
  517    H3*    G 209           H3*        G 209  12.085   2.889 -12.223
  518   1H2*    G 209          1H2*        G 209   9.768   2.730 -11.791
  519   2HO*    G 209          2HO*        G 209   8.399   2.849 -13.831
  520    H1*    G 209           H1*        G 209   9.309   0.664 -13.601
  521    H8     G 209           H8         G 209  12.502   0.871 -11.492
  522    H1     G 209           H1         G 209   7.955  -3.161  -9.266
  523   1H2     G 209          1H2         G 209   6.278  -3.032 -10.459
  524   2H2     G 209          2H2         G 209   6.126  -1.988 -11.853
  525   1H5*    G 210          1H5*        G 210   9.398   5.280 -12.925
  526   2H5*    G 210          2H5*        G 210   9.545   7.030 -13.077
  527    H4*    G 210           H4*        G 210   8.385   5.530 -10.718
  528    H3*    G 210           H3*        G 210   7.134   6.661 -13.130
  529   1H2*    G 210          1H2*        G 210   6.422   8.505 -11.941
  530   2HO*    G 210          2HO*        G 210   4.440   7.642 -11.756
  531    H1*    G 210           H1*        G 210   6.466   7.621  -9.198
  532    H8     G 210           H8         G 210   9.351   8.577 -11.549
  533    H1     G 210           H1         G 210   8.042  12.826  -6.846
  534   1H2     G 210          1H2         G 210   6.427  12.163  -5.747
  535   2H2     G 210          2H2         G 210   5.558  10.676  -6.055
  536   1H5*    A 211          1H5*        A 211   7.848   3.643 -11.076
  537   2H5*    A 211          2H5*        A 211   7.882   1.883 -11.185
  538    H4*    A 211           H4*        A 211   6.603   2.043  -9.337
  539    H3*    A 211           H3*        A 211   4.705   2.206 -11.632
  540   1H2*    A 211          1H2*        A 211   3.567   3.708 -10.214
  541   2HO*    A 211          2HO*        A 211   2.099   2.179  -9.101
  542    H1*    A 211           H1*        A 211   4.613   2.065  -7.850
  543    H8     A 211           H8         A 211   4.616   5.785  -8.777
  544   1H6     A 211          1H6         A 211   1.629   6.626  -3.362
  545   2H6     A 211          2H6         A 211   2.321   7.448  -4.741
  546    H2     A 211           H2         A 211   2.240   2.264  -3.949
  547   1H5*    G 212          1H5*        G 212   2.595  -2.040  -9.181
  548   2H5*    G 212          2H5*        G 212   3.814  -0.884  -8.645
  549    H4*    G 212           H4*        G 212   4.172  -3.875  -8.932
  550    H3*    G 212           H3*        G 212   3.409  -2.196  -6.646
  551   1H2*    G 212          1H2*        G 212   5.106  -2.954  -5.188
  552   2HO*    G 212          2HO*        G 212   6.368  -4.656  -6.959
  553    H1*    G 212           H1*        G 212   7.163  -2.669  -7.071
  554    H8     G 212           H8         G 212   4.207  -0.507  -5.924
  555    H1     G 212           H1         G 212  10.064   2.138  -5.159
  556   1H2     G 212          1H2         G 212  11.498   0.869  -5.923
  557   2H2     G 212          2H2         G 212  11.164  -0.682  -6.661
  558   1H5*    G 213          1H5*        G 213   2.444  -6.745  -8.662
  559   2H5*    G 213          2H5*        G 213   3.897  -5.778  -8.921
  560    H4*    G 213           H4*        G 213   1.832  -6.350 -11.058
  561    H3*    G 213           H3*        G 213   3.941  -8.093 -10.087
  562   1H2*    G 213          1H2*        G 213   5.321  -8.127 -11.960
  563   2HO*    G 213          2HO*        G 213   3.850  -8.484 -13.557
  564    H1*    G 213           H1*        G 213   5.078  -5.437 -12.678
  565    H8     G 213           H8         G 213   5.489  -6.911  -9.149
  566    H1     G 213           H1         G 213  10.668  -3.851 -11.537
  567   1H2     G 213          1H2         G 213  10.251  -3.172 -13.439
  568   2H2     G 213          2H2         G 213   8.725  -3.398 -14.264
  569   1H5*    C 214          1H5*        C 214   1.691  -9.946 -13.268
  570   2H5*    C 214          2H5*        C 214   1.598 -11.699 -13.443
  571    H4*    C 214           H4*        C 214   3.002 -10.825 -15.171
  572    H3*    C 214           H3*        C 214   4.525 -12.308 -13.023
  573   1H2*    C 214          1H2*        C 214   6.447 -12.179 -14.387
  574   2HO*    C 214          2HO*        C 214   5.118 -12.700 -16.256
  575    H1*    C 214           H1*        C 214   6.152  -9.523 -15.079
  576   1H4     C 214          1H4         C 214   9.536  -8.938  -9.729
  577   2H4     C 214          2H4         C 214   8.239  -9.644  -8.791
  578    H5     C 214           H5         C 214   6.225 -10.447  -9.726
  579    H6     C 214           H6         C 214   4.945 -10.771 -11.814
  580   1H5*    U 215          1H5*        U 215   4.977 -14.682 -16.436
  581   2H5*    U 215          2H5*        U 215   5.549 -16.319 -16.112
  582    H4*    U 215           H4*        U 215   7.105 -14.245 -16.947
  583    H3*    U 215           H3*        U 215   7.744 -16.837 -15.589
  584   1H2*    U 215          1H2*        U 215   9.573 -15.823 -14.662
  585   2HO*    U 215          2HO*        U 215   9.992 -15.379 -17.478
  586    H1*    U 215           H1*        U 215   9.736 -13.349 -16.184
  587    H3     U 215           H3         U 215  10.868 -11.579 -12.222
  588    H5     U 215           H5         U 215   7.117 -13.270 -11.438
  589    H6     U 215           H6         U 215   7.154 -14.165 -13.721
  590   1H5*    A 216          1H5*        A 216  10.655 -17.698 -18.476
  591   2H5*    A 216          2H5*        A 216  10.800 -19.447 -18.298
  592    H4*    A 216           H4*        A 216  12.524 -17.888 -17.150
  593    H3*    A 216           H3*        A 216  11.203 -20.173 -15.640
  594   1H2*    A 216          1H2*        A 216  12.827 -19.835 -14.028
  595   2HO*    A 216          2HO*        A 216  14.450 -18.363 -15.837
  596    H1*    A 216           H1*        A 216  13.229 -17.036 -14.751
  597    H8     A 216           H8         A 216   9.876 -18.362 -13.576
  598   1H6     A 216          1H6         A 216  11.487 -16.239  -7.933
  599   2H6     A 216          2H6         A 216  10.186 -16.949  -8.862
  600    H2     A 216           H2         A 216  14.978 -15.773 -10.641
  601   1H5*    G 217          1H5*        G 217  14.869 -21.001 -16.600
  602   2H5*    G 217          2H5*        G 217  15.682 -22.563 -16.688
  603    H4*    G 217           H4*        G 217  16.492 -21.617 -14.725
  604    H3*    G 217           H3*        G 217  14.171 -23.401 -13.915
  605   1H2*    G 217          1H2*        G 217  14.959 -23.175 -11.719
  606   2HO*    G 217          2HO*        G 217  17.125 -23.650 -12.540
  607    H1*    G 217           H1*        G 217  15.834 -20.454 -12.202
  608    H8     G 217           H8         G 217  12.270 -21.604 -12.856
  609    H1     G 217           H1         G 217  13.223 -18.849  -7.078
  610   1H2     G 217          1H2         G 217  15.236 -18.498  -6.806
  611   2H2     G 217          2H2         G 217  16.481 -18.890  -7.970
  612   1H5*    U 218          1H5*        U 218  17.715 -25.524 -12.908
  613   2H5*    U 218          2H5*        U 218  17.549 -27.269 -12.712
  614    H4*    U 218           H4*        U 218  18.081 -26.351 -10.587
  615    H3*    U 218           H3*        U 218  15.160 -27.124 -10.773
  616   1H2*    U 218          1H2*        U 218  15.000 -26.764  -8.457
  617   2HO*    U 218          2HO*        U 218  16.769 -27.483  -7.428
  618    H1*    U 218           H1*        U 218  16.770 -24.492  -8.564
  619    H3     U 218           H3         U 218  13.106 -22.510  -6.843
  620    H5     U 218           H5         U 218  11.866 -23.656 -10.675
  621    H6     U 218           H6         U 218  14.022 -24.800 -10.923
  622   1H5*    C 219          1H5*        C 219  17.013 -29.357  -8.079
  623   2H5*    C 219          2H5*        C 219  16.810 -31.106  -7.958
  624    H4*    C 219           H4*        C 219  16.231 -30.460  -5.843
  625    H3*    C 219           H3*        C 219  13.712 -30.571  -7.472
  626   1H2*    C 219          1H2*        C 219  12.434 -29.873  -5.623
  627   2HO*    C 219          2HO*        C 219  14.496 -29.747  -3.786
  628    H1*    C 219           H1*        C 219  14.343 -27.924  -4.808
  629   1H4     C 219          1H4         C 219   9.912 -24.396  -7.711
  630   2H4     C 219          2H4         C 219  10.301 -25.135  -9.249
  631    H5     C 219           H5         C 219  11.878 -26.873  -9.512
  632    H6     C 219           H6         C 219  13.485 -28.346  -8.353
  633   1H5*    C 220          1H5*        C 220  12.910 -33.632  -4.419
  634   2H5*    C 220          2H5*        C 220  12.750 -35.172  -5.264
  635    H4*    C 220           H4*        C 220  10.839 -35.134  -3.991
  636    H3*    C 220           H3*        C 220  10.261 -34.202  -6.750
  637   1H2*    C 220          1H2*        C 220   8.056 -33.534  -6.238
  638   2HO*    C 220          2HO*        C 220   8.676 -34.784  -3.717
  639    H1*    C 220           H1*        C 220   8.822 -32.245  -3.828
  640   1H4     C 220          1H4         C 220   8.359 -27.330  -7.837
  641   2H4     C 220          2H4         C 220   9.638 -27.985  -8.834
  642    H5     C 220           H5         C 220  10.700 -30.054  -8.421
  643    H6     C 220           H6         C 220  10.797 -32.023  -6.935
   
  No H/Q in entry =         643
  Start of MODEL    3
    1    H    MET   1           HN       MET   1   5.037 -13.658   6.468
    2    HA   MET   1           HA       MET   1   6.640 -12.752   5.291
    3   1HB   MET   1          2HB       MET   1   7.451 -15.648   5.175
    4   2HB   MET   1          3HB       MET   1   8.136 -14.629   3.924
    5   1HG   MET   1          2HG       MET   1   9.733 -14.394   5.630
    6   2HG   MET   1          3HG       MET   1   8.723 -12.991   5.919
    7   1HE   MET   1          2HE       MET   1  10.658 -15.313   7.607
    8   2HE   MET   1          3HE       MET   1   9.698 -16.216   8.804
    9   3HE   MET   1          1HE       MET   1   9.612 -16.653   7.081
   10    H    GLN   2           HN       GLN   2   4.233 -12.621   4.178
   11    HA   GLN   2           HA       GLN   2   4.286 -13.817   1.572
   12   1HB   GLN   2          2HB       GLN   2   2.290 -12.146   3.122
   13   2HB   GLN   2          3HB       GLN   2   2.076 -12.397   1.401
   14   1HG   GLN   2          2HG       GLN   2   2.267 -14.908   1.820
   15   2HG   GLN   2          3HG       GLN   2   2.275 -14.567   3.539
   16   1HE2  GLN   2          1HE2      GLN   2   0.448 -13.836   4.571
   17   2HE2  GLN   2          2HE2      GLN   2  -1.136 -13.884   3.871
   18    H    LYS   3           HN       LYS   3   4.113 -12.536  -0.439
   19    HA   LYS   3           HA       LYS   3   4.647 -10.877  -1.802
   20   1HB   LYS   3          2HB       LYS   3   3.902  -9.442   0.639
   21   2HB   LYS   3          3HB       LYS   3   5.067  -8.560  -0.327
   22   1HG   LYS   3          2HG       LYS   3   2.618  -9.832  -1.607
   23   2HG   LYS   3          3HG       LYS   3   2.525  -8.250  -0.862
   24   1HD   LYS   3          2HD       LYS   3   4.636  -7.689  -2.347
   25   2HD   LYS   3          3HD       LYS   3   4.166  -9.103  -3.268
   26   1HE   LYS   3          2HE       LYS   3   2.286  -6.772  -2.658
   27   2HE   LYS   3          3HE       LYS   3   3.204  -6.921  -4.144
   28   1HZ   LYS   3          1HZ       LYS   3   0.915  -7.839  -4.301
   29   2HZ   LYS   3          2HZ       LYS   3   2.039  -8.964  -4.645
   30    H    GLY   4           HN       GLY   4   6.600 -12.547  -1.500
   31   1HA   GLY   4          1HA       GLY   4   8.935 -11.735  -0.194
   32   2HA   GLY   4          2HA       GLY   4   8.827 -12.838  -1.552
   33    H    ASN   5           HN       ASN   5   7.334 -10.447  -3.023
   34    HA   ASN   5           HA       ASN   5   9.455  -9.687  -4.555
   35   1HB   ASN   5          2HB       ASN   5   6.807  -9.383  -4.811
   36   2HB   ASN   5          3HB       ASN   5   7.114  -7.800  -4.126
   37   1HD2  ASN   5          2HD2      ASN   5   7.963  -6.424  -7.169
   38   2HD2  ASN   5          1HD2      ASN   5   7.213  -6.313  -5.612
   39    H    PHE   6           HN       PHE   6   8.344  -8.556  -1.411
   40    HA   PHE   6           HA       PHE   6   9.255  -5.943  -1.420
   41   1HB   PHE   6          2HB       PHE   6   8.468  -8.109   0.441
   42   2HB   PHE   6          3HB       PHE   6   9.730  -7.119   1.148
   43    HD1  PHE   6           HD2      PHE   6   8.985  -4.461  -0.027
   44    HD2  PHE   6           HD1      PHE   6   6.599  -7.507   1.712
   45    HE1  PHE   6           HE2      PHE   6   7.274  -2.746   0.627
   46    HE2  PHE   6           HE1      PHE   6   4.887  -5.792   2.367
   47    HZ   PHE   6           HZ       PHE   6   5.245  -3.431   1.816
   48    H    ARG   7           HN       ARG   7  11.044  -8.874  -1.710
   49    HA   ARG   7           HA       ARG   7  13.285  -8.271  -0.244
   50   1HB   ARG   7          2HB       ARG   7  14.439  -9.906  -1.729
   51   2HB   ARG   7          3HB       ARG   7  12.859 -10.495  -1.255
   52   1HG   ARG   7          2HG       ARG   7  12.109  -9.230  -3.518
   53   2HG   ARG   7          3HG       ARG   7  13.789  -9.497  -3.943
   54   1HD   ARG   7          2HD       ARG   7  13.570 -11.838  -3.943
   55   2HD   ARG   7          3HD       ARG   7  12.239 -11.824  -2.803
   56    HE   ARG   7           HE       ARG   7  11.673 -10.580  -5.424
   57   1HH1  ARG   7          2HH2      ARG   7  11.446 -13.492  -3.419
   58   2HH1  ARG   7          1HH2      ARG   7  10.190 -14.204  -4.376
   59    HH2  ARG   7           HH1      ARG   7   9.363 -13.025  -6.292
   60    H    ASN   8           HN       ASN   8  11.953  -6.605  -2.898
   61    HA   ASN   8           HA       ASN   8  14.095  -5.977  -4.455
   62   1HB   ASN   8          2HB       ASN   8  12.820  -3.881  -5.004
   63   2HB   ASN   8          3HB       ASN   8  11.781  -5.292  -4.998
   64   1HD2  ASN   8          2HD2      ASN   8  10.512  -2.240  -3.001
   65   2HD2  ASN   8          1HD2      ASN   8  11.388  -2.346  -4.492
   66    H    GLN   9           HN       GLN   9  13.274  -5.040  -1.155
   67    HA   GLN   9           HA       GLN   9  14.579  -2.620  -0.992
   68   1HB   GLN   9          2HB       GLN   9  14.076  -4.785   1.090
   69   2HB   GLN   9          3HB       GLN   9  14.751  -3.219   1.497
   70   1HG   GLN   9          2HG       GLN   9  12.761  -2.059   0.709
   71   2HG   GLN   9          3HG       GLN   9  12.124  -3.518  -0.023
   72   1HE2  GLN   9          2HE2      GLN   9  11.257  -5.111   3.093
   73   2HE2  GLN   9          1HE2      GLN   9  11.976  -5.430   1.549
   74    H    ARG  10           HN       ARG  10  15.847  -5.747  -1.609
   75    HA   ARG  10           HA       ARG  10  18.247  -5.548  -0.213
   76   1HB   ARG  10          2HB       ARG  10  18.986  -7.412  -1.644
   77   2HB   ARG  10          3HB       ARG  10  17.319  -7.675  -1.172
   78   1HG   ARG  10          2HG       ARG  10  16.657  -6.521  -3.397
   79   2HG   ARG  10          3HG       ARG  10  18.343  -6.656  -3.856
   80   1HD   ARG  10          2HD       ARG  10  16.433  -8.943  -3.196
   81   2HD   ARG  10          3HD       ARG  10  17.164  -8.595  -4.749
   82    HE   ARG  10           HE       ARG  10  19.261  -9.431  -3.955
   83   1HH1  ARG  10          2HH2      ARG  10  16.782  -9.517  -1.425
   84   2HH1  ARG  10          1HH2      ARG  10  17.687 -10.579  -0.401
   85    HH2  ARG  10           HH1      ARG  10  19.845 -11.340  -1.113
   86    H    LYS  11           HN       LYS  11  17.024  -3.701  -2.783
   87    HA   LYS  11           HA       LYS  11  19.747  -2.993  -3.624
   88   1HB   LYS  11          2HB       LYS  11  18.700  -4.192  -5.440
   89   2HB   LYS  11          3HB       LYS  11  17.248  -3.219  -5.322
   90   1HG   LYS  11          2HG       LYS  11  18.240  -1.350  -6.306
   91   2HG   LYS  11          3HG       LYS  11  19.839  -1.743  -5.707
   92   1HD   LYS  11          2HD       LYS  11  19.952  -3.662  -7.338
   93   2HD   LYS  11          3HD       LYS  11  18.381  -3.201  -7.962
   94   1HE   LYS  11          2HE       LYS  11  19.487  -1.844  -9.414
   95   2HE   LYS  11          3HE       LYS  11  19.805  -0.792  -8.050
   96   1HZ   LYS  11          1HZ       LYS  11  21.641  -3.002  -8.190
   97   2HZ   LYS  11          2HZ       LYS  11  21.716  -2.059  -9.514
   98    H    THR  12           HN       THR  12  18.426  -1.914  -1.342
   99    HA   THR  12           HA       THR  12  17.471  -0.027  -0.524
  100    HB   THR  12           HB       THR  12  20.046   0.250  -1.082
  101    HG1  THR  12           HG1      THR  12  18.073   2.387  -0.687
  102   1HG2  THR  12          1HG2      THR  12  18.995   1.270  -3.485
  103   2HG2  THR  12          2HG2      THR  12  19.304   2.727  -2.511
  104   3HG2  THR  12          3HG2      THR  12  20.628   1.587  -2.852
  105    H    VAL  13           HN       VAL  13  15.706  -0.910  -2.395
  106    HA   VAL  13           HA       VAL  13  15.089   0.482  -4.576
  107    HB   VAL  13           HB       VAL  13  12.674   0.212  -3.844
  108   1HG1  VAL  13          3HG1      VAL  13  14.725  -1.811  -4.344
  109   2HG1  VAL  13          1HG1      VAL  13  13.323  -2.461  -3.462
  110   3HG1  VAL  13          2HG1      VAL  13  13.090  -1.645  -5.026
  111   1HG2  VAL  13          1HG2      VAL  13  14.086  -0.723  -1.347
  112   2HG2  VAL  13          2HG2      VAL  13  12.685   0.364  -1.512
  113   3HG2  VAL  13          3HG2      VAL  13  12.497  -1.381  -1.806
  114    H    LYS  14           HN       LYS  14  13.757   2.381  -5.074
  115    HA   LYS  14           HA       LYS  14  14.229   4.482  -3.089
  116   1HB   LYS  14          2HB       LYS  14  15.315   5.162  -5.004
  117   2HB   LYS  14          3HB       LYS  14  14.161   4.401  -6.079
  118   1HG   LYS  14          2HG       LYS  14  12.549   6.136  -5.787
  119   2HG   LYS  14          3HG       LYS  14  13.294   6.709  -4.308
  120   1HD   LYS  14          2HD       LYS  14  13.914   8.309  -5.975
  121   2HD   LYS  14          3HD       LYS  14  15.351   7.340  -5.719
  122   1HE   LYS  14          2HE       LYS  14  14.043   5.903  -7.713
  123   2HE   LYS  14          3HE       LYS  14  13.624   7.553  -8.127
  124   1HZ   LYS  14          1HZ       LYS  14  15.662   7.474  -9.113
  125   2HZ   LYS  14          2HZ       LYS  14  16.235   7.824  -7.629
  126    H    CYS  15           HN       CYS  15  12.549   5.776  -2.323
  127    HA   CYS  15           HA       CYS  15   9.964   4.571  -2.546
  128   1HB   CYS  15          2HB       CYS  15  10.803   5.424  -0.388
  129   2HB   CYS  15          3HB       CYS  15  10.857   7.051  -1.037
  130    H    PHE  16           HN       PHE  16   8.752   4.988  -4.368
  131    HA   PHE  16           HA       PHE  16   9.242   7.289  -5.957
  132   1HB   PHE  16          2HB       PHE  16   7.225   4.993  -5.810
  133   2HB   PHE  16          3HB       PHE  16   6.970   6.284  -6.968
  134    HD1  PHE  16           HD1      PHE  16   9.752   6.824  -7.841
  135    HD2  PHE  16           HD2      PHE  16   7.758   3.147  -7.125
  136    HE1  PHE  16           HE1      PHE  16  11.286   5.675  -9.462
  137    HE2  PHE  16           HE2      PHE  16   9.292   1.999  -8.745
  138    HZ   PHE  16           HZ       PHE  16  11.038   3.277  -9.894
  139    H    ASN  17           HN       ASN  17   7.759   7.030  -2.989
  140    HA   ASN  17           HA       ASN  17   5.517   8.705  -3.638
  141   1HB   ASN  17          2HB       ASN  17   5.698   6.777  -1.802
  142   2HB   ASN  17          3HB       ASN  17   6.420   8.032  -0.814
  143   1HD2  ASN  17          2HD2      ASN  17   3.140   8.627   0.282
  144   2HD2  ASN  17          1HD2      ASN  17   4.678   7.903   0.615
  145    H    CYS  18           HN       CYS  18   8.165   8.779  -1.122
  146    HA   CYS  18           HA       CYS  18   8.000  11.636  -1.004
  147   1HB   CYS  18          2HB       CYS  18   9.769  11.416   0.724
  148   2HB   CYS  18          3HB       CYS  18   8.351  10.444   1.063
  149    H    GLY  19           HN       GLY  19  10.279   9.068  -2.144
  150   1HA   GLY  19          1HA       GLY  19  11.484   9.408  -4.172
  151   2HA   GLY  19          2HA       GLY  19  11.615  11.116  -3.798
  152    H    LYS  20           HN       LYS  20  12.037   8.570  -1.323
  153    HA   LYS  20           HA       LYS  20  14.834   9.411  -1.111
  154   1HB   LYS  20          2HB       LYS  20  12.784   9.191   0.795
  155   2HB   LYS  20          3HB       LYS  20  13.828   7.817   1.100
  156   1HG   LYS  20          2HG       LYS  20  15.780   9.232   1.352
  157   2HG   LYS  20          3HG       LYS  20  14.939  10.627   0.708
  158   1HD   LYS  20          2HD       LYS  20  14.416  11.189   2.844
  159   2HD   LYS  20          3HD       LYS  20  13.317   9.824   2.862
  160   1HE   LYS  20          2HE       LYS  20  14.705   8.554   4.179
  161   2HE   LYS  20          3HE       LYS  20  16.147   9.053   3.317
  162   1HZ   LYS  20          1HZ       LYS  20  16.229  11.064   4.578
  163   2HZ   LYS  20          2HZ       LYS  20  14.737  10.861   5.199
  164    H    GLU  21           HN       GLU  21  15.960   7.284   0.227
  165    HA   GLU  21           HA       GLU  21  15.419   5.021  -1.519
  166   1HB   GLU  21          2HB       GLU  21  17.828   6.665  -1.452
  167   2HB   GLU  21          3HB       GLU  21  18.214   5.012  -1.015
  168   1HG   GLU  21          2HG       GLU  21  17.393   4.138  -3.077
  169   2HG   GLU  21          3HG       GLU  21  16.446   5.572  -3.419
  170    HE2  GLU  21           HE2      GLU  21  17.640   5.667  -5.438
  171    H    GLY  22           HN       GLY  22  15.297   3.076  -0.436
  172   1HA   GLY  22          1HA       GLY  22  16.462   1.745   1.331
  173   2HA   GLY  22          2HA       GLY  22  16.149   3.100   2.397
  174    H    HIS  23           HN       HIS  23  13.556   3.070   0.278
  175    HA   HIS  23           HA       HIS  23  12.077   0.890   1.258
  176   1HB   HIS  23          2HB       HIS  23  10.621   1.864   2.810
  177   2HB   HIS  23          3HB       HIS  23  12.220   2.376   3.310
  178    HD1  HIS  23           HD1      HIS  23  12.815   4.909   3.087
  179    HD2  HIS  23           HD2      HIS  23   8.925   3.930   1.860
  180    HE1  HIS  23           HE1      HIS  23  11.562   7.119   2.854
  181    H    ILE  24           HN       ILE  24   9.851   0.890   0.356
  182    HA   ILE  24           HA       ILE  24   9.739   2.671  -1.972
  183    HB   ILE  24           HB       ILE  24   8.493   0.970  -3.084
  184   1HG1  ILE  24          2HG1      ILE  24   8.684  -0.816  -0.654
  185   2HG1  ILE  24          3HG1      ILE  24   7.304   0.226  -0.934
  186   1HG2  ILE  24          2HG2      ILE  24  11.109   0.828  -2.638
  187   2HG2  ILE  24          3HG2      ILE  24  10.635  -0.694  -1.846
  188   3HG2  ILE  24          1HG2      ILE  24  10.234  -0.419  -3.558
  189   1HD1  ILE  24          3HD1      ILE  24   8.293  -1.642  -3.115
  190   2HD1  ILE  24          1HD1      ILE  24   7.193  -2.215  -1.837
  191   3HD1  ILE  24          2HD1      ILE  24   6.682  -0.906  -2.929
  192    H    ALA  25           HN       ALA  25   7.425   3.199  -2.694
  193    HA   ALA  25           HA       ALA  25   6.170   4.684  -0.779
  194   1HB   ALA  25          1HB       ALA  25   5.320   3.456  -3.402
  195   2HB   ALA  25          2HB       ALA  25   4.140   4.353  -2.416
  196   3HB   ALA  25          3HB       ALA  25   5.614   5.164  -2.996
  197    H    LYS  26           HN       LYS  26   5.794   1.216  -1.576
  198    HA   LYS  26           HA       LYS  26   3.430   0.780  -0.163
  199   1HB   LYS  26          2HB       LYS  26   5.734  -1.093  -0.783
  200   2HB   LYS  26          3HB       LYS  26   4.172  -1.599  -0.176
  201   1HG   LYS  26          2HG       LYS  26   4.136   0.184  -2.589
  202   2HG   LYS  26          3HG       LYS  26   4.759  -1.436  -2.835
  203   1HD   LYS  26          2HD       LYS  26   2.426  -1.769  -1.242
  204   2HD   LYS  26          3HD       LYS  26   1.994  -0.565  -2.440
  205   1HE   LYS  26          2HE       LYS  26   3.148  -2.229  -4.152
  206   2HE   LYS  26          3HE       LYS  26   2.927  -3.416  -2.882
  207   1HZ   LYS  26          1HZ       LYS  26   0.505  -2.123  -3.055
  208   2HZ   LYS  26          2HZ       LYS  26   0.956  -2.291  -4.610
  209    H    ASN  27           HN       ASN  27   6.898   0.687   0.845
  210    HA   ASN  27           HA       ASN  27   6.040   0.144   3.539
  211   1HB   ASN  27          2HB       ASN  27   8.835   0.557   2.350
  212   2HB   ASN  27          3HB       ASN  27   8.522   0.063   4.001
  213   1HD2  ASN  27          2HD2      ASN  27   9.097  -2.764   1.409
  214   2HD2  ASN  27          1HD2      ASN  27   9.784  -1.178   1.518
  215    H    CYS  28           HN       CYS  28   5.811   2.796   1.759
  216    HA   CYS  28           HA       CYS  28   7.373   4.625   3.344
  217   1HB   CYS  28          2HB       CYS  28   7.110   4.938   0.889
  218   2HB   CYS  28          3HB       CYS  28   5.391   5.194   1.116
  219    H    ARG  29           HN       ARG  29   6.549   5.858   5.045
  220    HA   ARG  29           HA       ARG  29   4.038   5.060   6.050
  221   1HB   ARG  29          2HB       ARG  29   6.383   6.547   6.978
  222   2HB   ARG  29          3HB       ARG  29   4.919   7.388   7.448
  223   1HG   ARG  29          2HG       ARG  29   4.135   4.911   8.149
  224   2HG   ARG  29          3HG       ARG  29   5.863   4.631   8.232
  225   1HD   ARG  29          2HD       ARG  29   5.122   5.344  10.440
  226   2HD   ARG  29          3HD       ARG  29   6.077   6.644   9.755
  227    HE   ARG  29           HE       ARG  29   4.162   7.992   9.691
  228   1HH1  ARG  29          2HH2      ARG  29   3.171   4.615  10.108
  229   2HH1  ARG  29          1HH2      ARG  29   1.506   5.009  10.380
  230    HH2  ARG  29           HH1      ARG  29   0.820   7.306  10.343
  231    H    ALA  30           HN       ALA  30   5.273   7.680   4.039
  232    HA   ALA  30           HA       ALA  30   3.283   9.590   4.570
  233   1HB   ALA  30          2HB       ALA  30   5.034   9.083   2.130
  234   2HB   ALA  30          3HB       ALA  30   4.071  10.555   2.404
  235   3HB   ALA  30          1HB       ALA  30   5.408  10.149   3.507
  236    HA   PRO  31           HA       PRO  31  -0.069   7.983   2.359
  237   1HB   PRO  31          2HB       PRO  31  -1.460  10.250   1.730
  238   2HB   PRO  31          3HB       PRO  31  -1.522   9.495   3.310
  239   1HG   PRO  31          2HG       PRO  31  -0.102  11.953   2.486
  240   2HG   PRO  31          3HG       PRO  31  -0.528  11.421   4.099
  241   1HD   PRO  31          2HD       PRO  31   2.065  11.298   2.881
  242   2HD   PRO  31          3HD       PRO  31   1.613  10.660   4.450
  243    H    ARG  32           HN       ARG  32  -1.139   7.644   0.315
  244    HA   ARG  32           HA       ARG  32   0.674   7.612  -1.709
  245   1HB   ARG  32          2HB       ARG  32  -2.172   7.064  -1.355
  246   2HB   ARG  32          3HB       ARG  32  -1.915   7.816  -2.916
  247   1HG   ARG  32          2HG       ARG  32  -1.458   5.653  -3.562
  248   2HG   ARG  32          3HG       ARG  32   0.146   6.050  -2.981
  249   1HD   ARG  32          2HD       ARG  32  -1.467   5.208  -0.720
  250   2HD   ARG  32          3HD       ARG  32  -1.636   4.019  -1.997
  251    HE   ARG  32           HE       ARG  32   1.052   4.355  -2.019
  252   1HH1  ARG  32          2HH2      ARG  32  -1.158   3.958   0.721
  253   2HH1  ARG  32          1HH2      ARG  32   0.031   3.204   1.731
  254    HH2  ARG  32           HH1      ARG  32   2.246   2.865   0.882
  255    H    LYS  33           HN       LYS  33   1.697   9.419  -2.548
  256    HA   LYS  33           HA       LYS  33  -0.048  11.601  -3.428
  257   1HB   LYS  33          2HB       LYS  33   2.055  11.708  -1.408
  258   2HB   LYS  33          3HB       LYS  33   2.368  12.814  -2.730
  259   1HG   LYS  33          2HG       LYS  33   0.291  13.964  -2.425
  260   2HG   LYS  33          3HG       LYS  33  -0.396  12.660  -1.476
  261   1HD   LYS  33          2HD       LYS  33   0.171  14.326   0.131
  262   2HD   LYS  33          3HD       LYS  33   1.448  13.136   0.271
  263   1HE   LYS  33          2HE       LYS  33   3.019  14.677  -0.283
  264   2HE   LYS  33          3HE       LYS  33   2.190  15.043  -1.784
  265   1HZ   LYS  33          1HZ       LYS  33   2.296  16.629   0.520
  266   2HZ   LYS  33          2HZ       LYS  33   1.526  16.970  -0.874
  267    H    LYS  34           HN       LYS  34   1.475  13.134  -4.915
  268    HA   LYS  34           HA       LYS  34   3.284  11.480  -6.474
  269   1HB   LYS  34          2HB       LYS  34   0.635  11.645  -7.244
  270   2HB   LYS  34          3HB       LYS  34   1.377  12.926  -8.179
  271   1HG   LYS  34          2HG       LYS  34   2.187  11.369  -9.611
  272   2HG   LYS  34          3HG       LYS  34   3.202  10.749  -8.324
  273   1HD   LYS  34          2HD       LYS  34   2.006   8.825  -8.387
  274   2HD   LYS  34          3HD       LYS  34   0.632   9.710  -7.755
  275   1HE   LYS  34          2HE       LYS  34  -0.320  10.039  -9.894
  276   2HE   LYS  34          3HE       LYS  34   1.212   9.851 -10.722
  277   1HZ   LYS  34          1HZ       LYS  34  -0.596   7.775  -9.759
  278   2HZ   LYS  34          2HZ       LYS  34   0.333   7.786 -11.097
  279    H    GLY  35           HN       GLY  35   4.183  13.357  -4.781
  280   1HA   GLY  35          1HA       GLY  35   4.343  15.909  -6.206
  281   2HA   GLY  35          2HA       GLY  35   4.873  15.567  -4.572
  282    H    CYS  36           HN       CYS  36   6.084  16.480  -7.435
  283    HA   CYS  36           HA       CYS  36   8.062  14.644  -8.053
  284   1HB   CYS  36          2HB       CYS  36   7.545  16.361  -9.626
  285   2HB   CYS  36          3HB       CYS  36   7.874  17.636  -8.470
  286    H    TRP  37           HN       TRP  37   9.813  13.987  -6.853
  287    HA   TRP  37           HA       TRP  37  10.459  15.442  -4.452
  288   1HB   TRP  37          2HB       TRP  37  12.229  13.245  -5.121
  289   2HB   TRP  37          3HB       TRP  37  11.222  13.498  -3.709
  290    HD1  TRP  37           HD1      TRP  37   8.468  12.776  -4.159
  291    HE1  TRP  37           HE1      TRP  37   7.442  10.705  -5.433
  292    HE3  TRP  37           HE3      TRP  37  12.622  11.737  -6.903
  293    HZ2  TRP  37           HZ2      TRP  37   8.458   8.905  -7.399
  294    HZ3  TRP  37           HZ3      TRP  37  12.521   9.806  -8.477
  295    HH2  TRP  37           HH2      TRP  37  10.531   8.411  -8.748
  296    H    LYS  38           HN       LYS  38  10.834  16.928  -6.907
  297    HA   LYS  38           HA       LYS  38  13.742  17.236  -6.779
  298   1HB   LYS  38          2HB       LYS  38  12.450  16.120  -8.961
  299   2HB   LYS  38          3HB       LYS  38  12.598  17.804  -9.420
  300   1HG   LYS  38          2HG       LYS  38  14.903  16.079  -8.395
  301   2HG   LYS  38          3HG       LYS  38  14.593  16.421 -10.086
  302   1HD   LYS  38          2HD       LYS  38  15.080  18.753  -9.830
  303   2HD   LYS  38          3HD       LYS  38  14.923  18.686  -8.086
  304   1HE   LYS  38          2HE       LYS  38  17.282  18.763  -8.497
  305   2HE   LYS  38          3HE       LYS  38  16.948  17.096  -8.075
  306   1HZ   LYS  38          1HZ       LYS  38  17.213  18.123 -10.851
  307   2HZ   LYS  38          2HZ       LYS  38  18.321  17.220 -10.070
  308    H    CYS  39           HN       CYS  39  10.566  18.643  -7.808
  309    HA   CYS  39           HA       CYS  39  11.686  21.257  -7.112
  310   1HB   CYS  39          2HB       CYS  39   9.780  22.164  -8.504
  311   2HB   CYS  39          3HB       CYS  39  11.026  21.308  -9.389
  312    H    GLY  40           HN       GLY  40   9.113  18.835  -6.614
  313   1HA   GLY  40          1HA       GLY  40   8.028  18.592  -4.555
  314   2HA   GLY  40          2HA       GLY  40   8.271  20.293  -4.209
  315    H    LYS  41           HN       LYS  41   7.276  19.510  -7.481
  316    HA   LYS  41           HA       LYS  41   4.702  20.740  -6.922
  317   1HB   LYS  41          2HB       LYS  41   6.558  21.014  -8.978
  318   2HB   LYS  41          3HB       LYS  41   5.284  20.055  -9.704
  319   1HG   LYS  41          2HG       LYS  41   4.314  22.111 -10.054
  320   2HG   LYS  41          3HG       LYS  41   3.737  21.883  -8.416
  321   1HD   LYS  41          2HD       LYS  41   5.579  23.204  -7.501
  322   2HD   LYS  41          3HD       LYS  41   6.382  23.264  -9.059
  323   1HE   LYS  41          2HE       LYS  41   3.593  24.268  -9.151
  324   2HE   LYS  41          3HE       LYS  41   4.620  25.189  -8.070
  325   1HZ   LYS  41          1HZ       LYS  41   6.228  24.960 -10.190
  326   2HZ   LYS  41          2HZ       LYS  41   4.794  24.939 -10.961
  327    H    GLU  42           HN       GLU  42   2.827  19.614  -6.780
  328    HA   GLU  42           HA       GLU  42   3.024  16.775  -7.126
  329   1HB   GLU  42          2HB       GLU  42   0.821  16.708  -6.046
  330   2HB   GLU  42          3HB       GLU  42   1.904  17.736  -5.130
  331   1HG   GLU  42          2HG       GLU  42   0.930  19.744  -6.360
  332   2HG   GLU  42          3HG       GLU  42  -0.237  18.665  -7.099
  333    HE2  GLU  42           HE2      GLU  42   0.280  19.797  -3.503
  334    H    GLY  43           HN       GLY  43   2.427  15.704  -8.962
  335   1HA   GLY  43          1HA       GLY  43   0.343  15.617 -10.457
  336   2HA   GLY  43          2HA       GLY  43   0.873  17.209 -10.960
  337    H    HIS  44           HN       HIS  44   3.668  16.962 -11.039
  338    HA   HIS  44           HA       HIS  44   3.930  15.029 -13.211
  339   1HB   HIS  44          2HB       HIS  44   5.581  16.415 -14.147
  340   2HB   HIS  44          3HB       HIS  44   4.299  17.494 -13.629
  341    HD1  HIS  44           HD1      HIS  44   4.913  19.349 -12.015
  342    HD2  HIS  44           HD2      HIS  44   7.913  16.438 -12.365
  343    HE1  HIS  44           HE1      HIS  44   6.939  20.254 -10.754
  344    H    GLN  45           HN       GLN  45   6.291  14.138 -13.427
  345    HA   GLN  45           HA       GLN  45   7.142  13.415 -10.731
  346   1HB   GLN  45          2HB       GLN  45   7.789  11.224 -11.596
  347   2HB   GLN  45          3HB       GLN  45   6.114  11.529 -12.006
  348   1HG   GLN  45          2HG       GLN  45   7.524  12.612 -14.185
  349   2HG   GLN  45          3HG       GLN  45   8.437  11.170 -13.785
  350   1HE2  GLN  45          2HE2      GLN  45   6.197   8.928 -15.156
  351   2HE2  GLN  45          1HE2      GLN  45   7.762   9.294 -14.509
  352    H    MET  46           HN       MET  46   9.529  12.828 -10.566
  353    HA   MET  46           HA       MET  46  11.072  14.901 -11.391
  354   1HB   MET  46          2HB       MET  46  11.581  13.160  -9.599
  355   2HB   MET  46          3HB       MET  46  11.969  12.012 -10.864
  356   1HG   MET  46          2HG       MET  46  13.594  14.033 -11.664
  357   2HG   MET  46          3HG       MET  46  13.510  14.436  -9.960
  358   1HE   MET  46          1HE       MET  46  14.788  13.801  -8.458
  359   2HE   MET  46          2HE       MET  46  14.364  12.151  -7.943
  360   3HE   MET  46          3HE       MET  46  16.030  12.525  -8.446
  361    H    LYS  47           HN       LYS  47  10.479  11.745 -13.012
  362    HA   LYS  47           HA       LYS  47  12.463  11.917 -14.937
  363   1HB   LYS  47          2HB       LYS  47  10.841   9.990 -14.280
  364   2HB   LYS  47          3HB       LYS  47   9.758  10.695 -15.464
  365   1HG   LYS  47          2HG       LYS  47  12.323  10.621 -16.714
  366   2HG   LYS  47          3HG       LYS  47  12.148   9.079 -15.899
  367   1HD   LYS  47          2HD       LYS  47   9.911  10.215 -17.623
  368   2HD   LYS  47          3HD       LYS  47  11.221   9.289 -18.329
  369   1HE   LYS  47          2HE       LYS  47  10.451   7.706 -16.149
  370   2HE   LYS  47          3HE       LYS  47   8.925   8.358 -16.713
  371   1HZ   LYS  47          1HZ       LYS  47  10.037   7.654 -19.036
  372   2HZ   LYS  47          2HZ       LYS  47  10.732   6.534 -18.078
  373    H    ASP  48           HN       ASP  48   9.209  13.408 -14.740
  374    HA   ASP  48           HA       ASP  48   9.810  14.707 -17.276
  375   1HB   ASP  48          2HB       ASP  48   7.273  13.870 -15.891
  376   2HB   ASP  48          3HB       ASP  48   7.200  15.332 -16.854
  377    HD2  ASP  48           HD2      ASP  48   6.621  12.008 -18.576
  378    H    CYS  49           HN       CYS  49  10.908  15.439 -14.589
  379    HA   CYS  49           HA       CYS  49   9.600  17.334 -13.203
  380   1HB   CYS  49          2HB       CYS  49  11.897  16.436 -12.733
  381   2HB   CYS  49          3HB       CYS  49  12.534  17.511 -13.963
  382    H    THR  50           HN       THR  50   8.517  19.154 -13.870
  383    HA   THR  50           HA       THR  50   8.767  20.201 -16.457
  384    HB   THR  50           HB       THR  50   7.294  22.005 -15.467
  385    HG1  THR  50           HG1      THR  50   6.854  21.307 -13.058
  386   1HG2  THR  50          3HG2      THR  50   6.735  19.110 -14.661
  387   2HG2  THR  50          1HG2      THR  50   5.565  20.422 -14.379
  388   3HG2  THR  50          2HG2      THR  50   6.049  20.003 -16.039
  389    H    GLU  51           HN       GLU  51  10.878  20.460 -13.785
  390    HA   GLU  51           HA       GLU  51  12.685  21.972 -15.135
  391   1HB   GLU  51          2HB       GLU  51  10.624  23.621 -13.806
  392   2HB   GLU  51          3HB       GLU  51  12.252  24.042 -13.313
  393   1HG   GLU  51          2HG       GLU  51  12.823  24.851 -15.392
  394   2HG   GLU  51          3HG       GLU  51  11.946  23.594 -16.241
  395    HE2  GLU  51           HE2      GLU  51  11.510  25.617 -17.364
  396    H    ARG  52           HN       ARG  52  11.858  22.938 -11.790
  397    HA   ARG  52           HA       ARG  52  12.900  20.919 -10.374
  398   1HB   ARG  52          2HB       ARG  52  15.269  21.810  -9.863
  399   2HB   ARG  52          3HB       ARG  52  15.061  21.029 -11.418
  400   1HG   ARG  52          2HG       ARG  52  14.388  23.788 -11.801
  401   2HG   ARG  52          3HG       ARG  52  15.862  23.764 -10.852
  402   1HD   ARG  52          2HD       ARG  52  17.016  22.414 -12.515
  403   2HD   ARG  52          3HD       ARG  52  15.527  22.085 -13.379
  404    HE   ARG  52           HE       ARG  52  15.861  24.917 -13.269
  405   1HH1  ARG  52          2HH2      ARG  52  17.392  22.100 -14.777
  406   2HH1  ARG  52          1HH2      ARG  52  17.989  22.995 -16.133
  407    HH2  ARG  52           HH1      ARG  52  17.541  25.346 -16.278
  408    H    GLN  53           HN       GLN  53  14.063  21.931  -8.171
  409    HA   GLN  53           HA       GLN  53  13.618  24.548  -7.527
  410   1HB   GLN  53          2HB       GLN  53  11.149  23.473  -7.887
  411   2HB   GLN  53          3HB       GLN  53  11.387  23.045  -6.205
  412   1HG   GLN  53          2HG       GLN  53  10.732  25.155  -5.681
  413   2HG   GLN  53          3HG       GLN  53  12.273  25.705  -6.311
  414   1HE2  GLN  53          2HE2      GLN  53   8.796  26.003  -8.540
  415   2HE2  GLN  53          1HE2      GLN  53   8.950  24.896  -7.217
  416    H    ALA  54           HN       ALA  54  14.317  24.985  -5.364
  417    HA   ALA  54           HA       ALA  54  15.672  22.746  -4.156
  418   1HB   ALA  54          1HB       ALA  54  16.283  25.383  -4.483
  419   2HB   ALA  54          2HB       ALA  54  15.637  25.405  -2.825
  420   3HB   ALA  54          3HB       ALA  54  17.009  24.346  -3.231
  421    H    ASN  55           HN       ASN  55  14.639  21.405  -2.770
  422    HA   ASN  55           HA       ASN  55  13.262  22.474  -0.578
  423   1HB   ASN  55          2HB       ASN  55  11.588  22.418  -2.705
  424   2HB   ASN  55          3HB       ASN  55  11.440  20.732  -2.251
  425   1HD2  ASN  55          2HD2      ASN  55   9.046  21.398   0.139
  426   2HD2  ASN  55          1HD2      ASN  55   9.682  20.412  -1.135
  427   1H5*    G 201          1H5*        G 201   0.016 -18.734  -9.015
  428   2H5*    G 201          2H5*        G 201   0.270 -17.360  -7.938
  429    H4*    G 201           H4*        G 201  -0.404 -18.995  -6.470
  430    H3*    G 201           H3*        G 201   2.576 -18.849  -6.515
  431   1H2*    G 201          1H2*        G 201   2.795 -20.697  -5.063
  432   2HO*    G 201          2HO*        G 201   0.774 -21.454  -4.052
  433    H1*    G 201           H1*        G 201   0.927 -22.287  -6.412
  434    H8     G 201           H8         G 201   3.435 -20.023  -8.219
  435    H1     G 201           H1         G 201   5.049 -26.283  -7.924
  436   1H2     G 201          1H2         G 201   3.648 -27.304  -6.807
  437   2H2     G 201          2H2         G 201   2.245 -26.573  -6.062
  438   1H5*    G 202          1H5*        G 202   1.746 -18.793  -2.400
  439   2H5*    G 202          2H5*        G 202   2.345 -17.305  -1.667
  440    H4*    G 202           H4*        G 202   3.274 -18.920  -0.316
  441    H3*    G 202           H3*        G 202   5.248 -18.036  -2.367
  442   1H2*    G 202          1H2*        G 202   6.844 -19.642  -1.692
  443   2HO*    G 202          2HO*        G 202   6.723 -20.249   0.407
  444    H1*    G 202           H1*        G 202   4.994 -21.755  -1.591
  445    H8     G 202           H8         G 202   4.981 -19.116  -4.365
  446    H1     G 202           H1         G 202   7.861 -24.714  -5.871
  447   1H2     G 202          1H2         G 202   7.893 -25.940  -4.214
  448   2H2     G 202          2H2         G 202   7.236 -25.515  -2.649
  449   1H5*    A 203          1H5*        A 203   7.586 -18.587   1.183
  450   2H5*    A 203          2H5*        A 203   8.252 -16.994   1.545
  451    H4*    A 203           H4*        A 203  10.027 -18.564   1.683
  452    H3*    A 203           H3*        A 203  10.115 -16.647  -0.564
  453   1H2*    A 203          1H2*        A 203  11.763 -17.754  -1.765
  454   2HO*    A 203          2HO*        A 203  13.334 -18.748  -0.561
  455    H1*    A 203           H1*        A 203  10.937 -20.394  -0.985
  456    H8     A 203           H8         A 203   8.519 -17.858  -2.477
  457   1H6     A 203          1H6         A 203   9.482 -20.802  -7.895
  458   2H6     A 203          2H6         A 203   8.549 -19.549  -7.109
  459    H2     A 203           H2         A 203  12.212 -22.552  -4.857
  460   1H5*    C 204          1H5*        C 204  14.136 -16.764   0.849
  461   2H5*    C 204          2H5*        C 204  15.007 -15.280   0.462
  462    H4*    C 204           H4*        C 204  15.856 -17.172  -0.814
  463    H3*    C 204           H3*        C 204  14.435 -15.077  -2.488
  464   1H2*    C 204          1H2*        C 204  15.403 -16.107  -4.363
  465   2HO*    C 204          2HO*        C 204  17.464 -16.167  -3.275
  466    H1*    C 204           H1*        C 204  15.096 -18.740  -3.370
  467   1H4     C 204          1H4         C 204  10.154 -18.207  -7.343
  468   2H4     C 204          2H4         C 204   9.431 -16.988  -6.318
  469    H5     C 204           H5         C 204  10.452 -16.134  -4.368
  470    H6     C 204           H6         C 204  12.441 -16.240  -2.908
  471   1H5*    U 205          1H5*        U 205  18.648 -14.669  -2.442
  472   2H5*    U 205          2H5*        U 205  19.522 -13.197  -2.862
  473    H4*    U 205           H4*        U 205  20.054 -14.991  -4.405
  474    H3*    U 205           H3*        U 205  18.698 -12.548  -5.429
  475   1H2*    U 205          1H2*        U 205  18.194 -13.463  -7.475
  476   2HO*    U 205          2HO*        U 205  19.755 -15.003  -8.322
  477    H1*    U 205           H1*        U 205  18.276 -16.235  -6.574
  478    H3     U 205           H3         U 205  14.319 -16.294  -8.735
  479    H5     U 205           H5         U 205  13.670 -13.584  -5.609
  480    H6     U 205           H6         U 205  16.052 -13.791  -5.066
  481   1H5*    A 206          1H5*        A 206  21.322 -12.286  -8.272
  482   2H5*    A 206          2H5*        A 206  21.668 -10.590  -8.607
  483    H4*    A 206           H4*        A 206  20.105 -11.771 -10.208
  484    H3*    A 206           H3*        A 206  19.079  -9.255  -8.841
  485   1H2*    A 206          1H2*        A 206  17.401  -9.311 -10.409
  486   2HO*    A 206          2HO*        A 206  19.201  -9.132 -11.965
  487    H1*    A 206           H1*        A 206  17.763 -12.133 -11.075
  488    H8     A 206           H8         A 206  16.754 -11.017  -7.602
  489   1H6     A 206          1H6         A 206  10.885 -12.181  -9.378
  490   2H6     A 206          2H6         A 206  11.895 -11.746  -8.016
  491    H2     A 206           H2         A 206  13.524 -12.621 -12.925
  492   1H5*    G 207          1H5*        G 207  20.392  -7.637 -12.530
  493   2H5*    G 207          2H5*        G 207  20.186  -5.887 -12.564
  494    H4*    G 207           H4*        G 207  18.375  -7.269 -13.664
  495    H3*    G 207           H3*        G 207  17.515  -5.361 -11.456
  496   1H2*    G 207          1H2*        G 207  15.390  -5.614 -12.339
  497   2HO*    G 207          2HO*        G 207  15.245  -5.625 -14.562
  498    H1*    G 207           H1*        G 207  15.924  -8.234 -13.464
  499    H8     G 207           H8         G 207  16.404  -7.536  -9.768
  500    H1     G 207           H1         G 207  10.602  -9.936 -11.331
  501   1H2     G 207          1H2         G 207  10.421 -10.021 -13.383
  502   2H2     G 207          2H2         G 207  11.658  -9.516 -14.513
  503   1H5*    C 208          1H5*        C 208  18.157  -2.171 -15.013
  504   2H5*    C 208          2H5*        C 208  17.541  -0.657 -14.353
  505    H4*    C 208           H4*        C 208  16.123  -1.744 -16.121
  506    H3*    C 208           H3*        C 208  15.092  -0.853 -13.470
  507   1H2*    C 208          1H2*        C 208  12.948  -1.732 -13.860
  508   2HO*    C 208          2HO*        C 208  12.344  -2.097 -16.018
  509    H1*    C 208           H1*        C 208  13.925  -4.135 -15.027
  510   1H4     C 208          1H4         C 208  12.356  -5.984  -9.141
  511   2H4     C 208          2H4         C 208  13.636  -4.998  -8.469
  512    H5     C 208           H5         C 208  15.017  -3.578  -9.755
  513    H6     C 208           H6         C 208  15.517  -2.747 -12.026
  514   1H5*    G 209          1H5*        G 209  12.353  -0.106 -14.946
  515   2H5*    G 209          2H5*        G 209  12.195   0.749 -16.480
  516    H4*    G 209           H4*        G 209  10.235   1.683 -15.909
  517    H3*    G 209           H3*        G 209  11.568   2.369 -13.372
  518   1H2*    G 209          1H2*        G 209   9.647   2.202 -12.030
  519   2HO*    G 209          2HO*        G 209   8.350   3.275 -13.599
  520    H1*    G 209           H1*        G 209   8.714  -0.188 -13.063
  521    H8     G 209           H8         G 209  12.390   0.781 -12.486
  522    H1     G 209           H1         G 209   9.956  -3.577  -8.367
  523   1H2     G 209          1H2         G 209   7.977  -3.930  -8.829
  524   2H2     G 209          2H2         G 209   7.107  -3.161 -10.137
  525   1H5*    G 210          1H5*        G 210  10.045   7.031 -12.917
  526   2H5*    G 210          2H5*        G 210  10.588   6.758 -11.262
  527    H4*    G 210           H4*        G 210   8.395   5.111 -11.422
  528    H3*    G 210           H3*        G 210   8.029   6.864 -13.619
  529   1H2*    G 210          1H2*        G 210   7.043   8.659 -12.624
  530   2HO*    G 210          2HO*        G 210   5.211   7.280 -13.010
  531    H1*    G 210           H1*        G 210   6.697   7.610  -9.909
  532    H8     G 210           H8         G 210   9.822   8.919 -11.712
  533    H1     G 210           H1         G 210   7.397  12.810  -7.144
  534   1H2     G 210          1H2         G 210   5.674  11.979  -6.373
  535   2H2     G 210          2H2         G 210   4.988  10.455  -6.890
  536   1H5*    A 211          1H5*        A 211   7.984   3.263 -10.417
  537   2H5*    A 211          2H5*        A 211   7.652   1.681 -11.123
  538    H4*    A 211           H4*        A 211   6.656   1.582  -9.024
  539    H3*    A 211           H3*        A 211   4.720   1.970 -11.220
  540   1H2*    A 211          1H2*        A 211   3.654   3.457  -9.702
  541   2HO*    A 211          2HO*        A 211   2.863   0.909  -8.682
  542    H1*    A 211           H1*        A 211   4.390   1.585  -7.411
  543    H8     A 211           H8         A 211   5.011   5.280  -8.237
  544   1H6     A 211          1H6         A 211   2.040   6.457  -2.877
  545   2H6     A 211          2H6         A 211   2.885   7.194  -4.221
  546    H2     A 211           H2         A 211   2.002   2.066  -3.552
  547   1H5*    G 212          1H5*        G 212   3.134  -2.640  -8.726
  548   2H5*    G 212          2H5*        G 212   4.058  -1.155  -8.511
  549    H4*    G 212           H4*        G 212   5.511  -3.695  -9.145
  550    H3*    G 212           H3*        G 212   3.895  -3.416  -6.768
  551   1H2*    G 212          1H2*        G 212   5.480  -2.771  -5.273
  552   2HO*    G 212          2HO*        G 212   7.104  -4.314  -5.038
  553    H1*    G 212           H1*        G 212   7.720  -2.490  -7.159
  554    H8     G 212           H8         G 212   4.619  -0.407  -6.243
  555    H1     G 212           H1         G 212  10.333   2.340  -4.946
  556   1H2     G 212          1H2         G 212  11.853   1.060  -5.492
  557   2H2     G 212          2H2         G 212  11.616  -0.523  -6.197
  558   1H5*    G 213          1H5*        G 213   2.491  -4.776  -8.540
  559   2H5*    G 213          2H5*        G 213   1.420  -6.106  -8.985
  560    H4*    G 213           H4*        G 213   2.629  -5.312 -10.922
  561    H3*    G 213           H3*        G 213   3.506  -8.064  -9.995
  562   1H2*    G 213          1H2*        G 213   4.907  -8.099 -11.794
  563   2HO*    G 213          2HO*        G 213   3.638  -6.688 -13.659
  564    H1*    G 213           H1*        G 213   5.049  -5.437 -12.601
  565    H8     G 213           H8         G 213   5.291  -6.504  -8.928
  566    H1     G 213           H1         G 213  10.932  -5.233 -11.836
  567   1H2     G 213          1H2         G 213  10.599  -4.803 -13.825
  568   2H2     G 213          2H2         G 213   9.027  -4.787 -14.591
  569   1H5*    C 214          1H5*        C 214   1.923  -9.233 -13.717
  570   2H5*    C 214          2H5*        C 214   1.981 -10.996 -13.675
  571    H4*    C 214           H4*        C 214   3.826  -9.666 -14.925
  572    H3*    C 214           H3*        C 214   4.711 -11.832 -12.981
  573   1H2*    C 214          1H2*        C 214   6.584 -11.906 -14.373
  574   2HO*    C 214          2HO*        C 214   5.445 -10.428 -16.453
  575    H1*    C 214           H1*        C 214   6.782  -9.262 -15.005
  576   1H4     C 214          1H4         C 214   9.901  -9.232  -9.467
  577   2H4     C 214          2H4         C 214   8.457  -9.723  -8.610
  578    H5     C 214           H5         C 214   6.394 -10.183  -9.663
  579    H6     C 214           H6         C 214   5.196 -10.286 -11.821
  580   1H5*    U 215          1H5*        U 215   5.039 -13.906 -16.576
  581   2H5*    U 215          2H5*        U 215   5.341 -15.609 -16.231
  582    H4*    U 215           H4*        U 215   7.239 -13.809 -16.954
  583    H3*    U 215           H3*        U 215   7.411 -16.426 -15.497
  584   1H2*    U 215          1H2*        U 215   9.356 -15.716 -14.543
  585   2HO*    U 215          2HO*        U 215  10.701 -16.331 -16.129
  586    H1*    U 215           H1*        U 215   9.831 -13.226 -15.979
  587    H3     U 215           H3         U 215  11.146 -11.818 -11.920
  588    H5     U 215           H5         U 215   7.155 -12.916 -11.283
  589    H6     U 215           H6         U 215   7.115 -13.735 -13.594
  590   1H5*    A 216          1H5*        A 216  10.688 -16.902 -18.582
  591   2H5*    A 216          2H5*        A 216  10.643 -18.637 -18.896
  592    H4*    A 216           H4*        A 216  12.811 -17.993 -18.047
  593    H3*    A 216           H3*        A 216  11.125 -19.768 -16.322
  594   1H2*    A 216          1H2*        A 216  12.662 -19.721 -14.591
  595   2HO*    A 216          2HO*        A 216  14.809 -19.707 -15.183
  596    H1*    A 216           H1*        A 216  13.614 -17.049 -15.253
  597    H8     A 216           H8         A 216   9.986 -17.764 -14.401
  598   1H6     A 216          1H6         A 216  11.413 -15.871  -8.628
  599   2H6     A 216          2H6         A 216  10.101 -16.362  -9.675
  600    H2     A 216           H2         A 216  15.165 -16.035 -11.004
  601   1H5*    G 217          1H5*        G 217  14.643 -21.288 -16.967
  602   2H5*    G 217          2H5*        G 217  15.142 -22.980 -16.937
  603    H4*    G 217           H4*        G 217  15.956 -22.107 -14.938
  604    H3*    G 217           H3*        G 217  13.269 -23.334 -14.212
  605   1H2*    G 217          1H2*        G 217  14.091 -23.303 -12.012
  606   2HO*    G 217          2HO*        G 217  16.414 -23.200 -11.760
  607    H1*    G 217           H1*        G 217  15.480 -20.843 -12.344
  608    H8     G 217           H8         G 217  11.889 -21.363 -13.535
  609    H1     G 217           H1         G 217  12.491 -18.491  -7.767
  610   1H2     G 217          1H2         G 217  14.478 -18.458  -7.219
  611   2H2     G 217          2H2         G 217  15.787 -19.110  -8.178
  612   1H5*    U 218          1H5*        U 218  16.222 -25.539 -12.930
  613   2H5*    U 218          2H5*        U 218  16.190 -27.288 -12.708
  614    H4*    U 218           H4*        U 218  16.544 -26.427 -10.569
  615    H3*    U 218           H3*        U 218  13.589 -27.031 -10.869
  616   1H2*    U 218          1H2*        U 218  13.365 -26.627  -8.580
  617   2HO*    U 218          2HO*        U 218  15.155 -27.067  -7.273
  618    H1*    U 218           H1*        U 218  15.302 -24.553  -8.478
  619    H3     U 218           H3         U 218  11.674 -22.119  -7.427
  620    H5     U 218           H5         U 218  10.863 -23.370 -11.340
  621    H6     U 218           H6         U 218  12.911 -24.713 -11.230
  622   1H5*    C 219          1H5*        C 219  14.795 -29.259  -7.152
  623   2H5*    C 219          2H5*        C 219  14.113 -30.835  -7.553
  624    H4*    C 219           H4*        C 219  13.264 -30.266  -5.431
  625    H3*    C 219           H3*        C 219  11.271 -30.016  -7.643
  626   1H2*    C 219          1H2*        C 219   9.602 -29.222  -6.178
  627   2HO*    C 219          2HO*        C 219   9.788 -29.810  -4.054
  628    H1*    C 219           H1*        C 219  11.381 -27.463  -4.830
  629   1H4     C 219          1H4         C 219   8.282 -23.537  -8.765
  630   2H4     C 219          2H4         C 219   9.006 -24.319 -10.152
  631    H5     C 219           H5         C 219  10.421 -26.205 -10.008
  632    H6     C 219           H6         C 219  11.501 -27.819  -8.484
  633   1H5*    C 220          1H5*        C 220   9.459 -32.723  -5.012
  634   2H5*    C 220          2H5*        C 220   9.139 -34.314  -5.703
  635    H4*    C 220           H4*        C 220   7.058 -33.744  -4.942
  636    H3*    C 220           H3*        C 220   7.263 -32.933  -7.814
  637   1H2*    C 220          1H2*        C 220   5.103 -31.979  -7.780
  638   2HO*    C 220          2HO*        C 220   4.705 -32.691  -5.075
  639    H1*    C 220           H1*        C 220   5.494 -30.641  -5.340
  640   1H4     C 220          1H4         C 220   6.895 -26.077  -9.542
  641   2H4     C 220          2H4         C 220   8.273 -26.990 -10.118
  642    H5     C 220           H5         C 220   8.842 -29.145  -9.336
  643    H6     C 220           H6         C 220   8.225 -30.972  -7.794
   
  No H/Q in entry =         643
  Start of MODEL    4
    1    H    MET   1           HN       MET   1   7.560 -12.828   4.631
    2    HA   MET   1           HA       MET   1   4.953 -12.809   5.506
    3   1HB   MET   1          2HB       MET   1   4.386 -10.390   5.317
    4   2HB   MET   1          3HB       MET   1   5.590 -10.623   6.568
    5   1HG   MET   1          2HG       MET   1   7.194  -9.449   5.418
    6   2HG   MET   1          3HG       MET   1   6.781 -10.195   3.887
    7   1HE   MET   1          3HE       MET   1   7.403  -7.460   5.439
    8   2HE   MET   1          1HE       MET   1   7.053  -6.490   3.988
    9   3HE   MET   1          2HE       MET   1   6.085  -6.263   5.465
   10    H    GLN   2           HN       GLN   2   3.451 -11.729   3.683
   11    HA   GLN   2           HA       GLN   2   4.252 -12.937   1.302
   12   1HB   GLN   2          2HB       GLN   2   1.938 -11.211   2.172
   13   2HB   GLN   2          3HB       GLN   2   2.168 -11.489   0.457
   14   1HG   GLN   2          2HG       GLN   2   2.311 -14.009   1.023
   15   2HG   GLN   2          3HG       GLN   2   1.748 -13.587   2.627
   16   1HE2  GLN   2          2HE2      GLN   2  -1.334 -14.469   1.017
   17   2HE2  GLN   2          1HE2      GLN   2   0.065 -15.141   1.787
   18    H    LYS   3           HN       LYS   3   3.902 -11.509  -0.888
   19    HA   LYS   3           HA       LYS   3   4.593  -9.851  -2.194
   20   1HB   LYS   3          2HB       LYS   3   3.813  -8.383  -0.207
   21   2HB   LYS   3          3HB       LYS   3   5.515  -8.229   0.176
   22   1HG   LYS   3          2HG       LYS   3   6.010  -7.086  -1.832
   23   2HG   LYS   3          3HG       LYS   3   4.614  -7.736  -2.670
   24   1HD   LYS   3          2HD       LYS   3   3.625  -5.731  -2.226
   25   2HD   LYS   3          3HD       LYS   3   3.401  -6.348  -0.601
   26   1HE   LYS   3          2HE       LYS   3   6.114  -5.296  -0.912
   27   2HE   LYS   3          3HE       LYS   3   4.939  -4.084  -1.385
   28   1HZ   LYS   3          1HZ       LYS   3   4.156  -3.935   0.738
   29   2HZ   LYS   3          2HZ       LYS   3   4.320  -5.521   1.068
   30    H    GLY   4           HN       GLY   4   6.098 -11.870  -2.417
   31   1HA   GLY   4          1HA       GLY   4   8.667 -11.898  -1.338
   32   2HA   GLY   4          2HA       GLY   4   8.164 -12.643  -2.842
   33    H    ASN   5           HN       ASN   5   7.224  -9.935  -3.930
   34    HA   ASN   5           HA       ASN   5   9.502  -9.339  -5.332
   35   1HB   ASN   5          2HB       ASN   5   6.820  -8.562  -5.390
   36   2HB   ASN   5          3HB       ASN   5   7.615  -7.063  -4.952
   37   1HD2  ASN   5          2HD2      ASN   5   8.326  -6.346  -8.252
   38   2HD2  ASN   5          1HD2      ASN   5   7.728  -5.870  -6.698
   39    H    PHE   6           HN       PHE   6   8.535  -8.535  -2.090
   40    HA   PHE   6           HA       PHE   6   9.636  -6.010  -1.767
   41   1HB   PHE   6          2HB       PHE   6   8.206  -7.046  -0.074
   42   2HB   PHE   6          3HB       PHE   6   9.202  -8.486  -0.017
   43    HD1  PHE   6           HD1      PHE   6  11.321  -8.486   1.215
   44    HD2  PHE   6           HD2      PHE   6   8.812  -5.063   1.167
   45    HE1  PHE   6           HE1      PHE   6  12.572  -7.541   3.175
   46    HE2  PHE   6           HE2      PHE   6  10.064  -4.119   3.128
   47    HZ   PHE   6           HZ       PHE   6  11.929  -5.369   4.108
   48    H    ARG   7           HN       ARG   7  11.180  -9.019  -2.465
   49    HA   ARG   7           HA       ARG   7  13.479  -8.786  -0.988
   50   1HB   ARG   7          2HB       ARG   7  12.507 -10.347  -3.249
   51   2HB   ARG   7          3HB       ARG   7  14.173  -9.892  -3.544
   52   1HG   ARG   7          2HG       ARG   7  14.130 -10.657  -0.821
   53   2HG   ARG   7          3HG       ARG   7  13.092 -11.825  -1.616
   54   1HD   ARG   7          2HD       ARG   7  15.044 -12.906  -2.132
   55   2HD   ARG   7          3HD       ARG   7  15.190 -11.712  -3.407
   56    HE   ARG   7           HE       ARG   7  17.056 -10.907  -2.277
   57   1HH1  ARG   7          2HH2      ARG   7  14.812 -12.217   0.131
   58   2HH1  ARG   7          1HH2      ARG   7  15.840 -11.843   1.474
   59    HH2  ARG   7           HH1      ARG   7  17.952 -10.782   1.076
   60    H    ASN   8           HN       ASN   8  12.264  -6.779  -3.508
   61    HA   ASN   8           HA       ASN   8  14.513  -6.106  -4.901
   62   1HB   ASN   8          2HB       ASN   8  13.323  -3.960  -5.383
   63   2HB   ASN   8          3HB       ASN   8  12.231  -5.325  -5.498
   64   1HD2  ASN   8          2HD2      ASN   8  10.783  -2.444  -3.504
   65   2HD2  ASN   8          1HD2      ASN   8  11.603  -2.563  -5.027
   66    H    GLN   9           HN       GLN   9  13.271  -5.063  -1.695
   67    HA   GLN   9           HA       GLN   9  14.887  -2.860  -1.342
   68   1HB   GLN   9          2HB       GLN   9  13.720  -4.816   0.682
   69   2HB   GLN   9          3HB       GLN   9  14.489  -3.309   1.134
   70   1HG   GLN   9          2HG       GLN   9  12.826  -2.148  -0.485
   71   2HG   GLN   9          3HG       GLN   9  11.967  -3.674  -0.536
   72   1HE2  GLN   9          2HE2      GLN   9  10.141  -2.002   2.042
   73   2HE2  GLN   9          1HE2      GLN   9  10.290  -2.175   0.324
   74    H    ARG  10           HN       ARG  10  15.767  -6.134  -1.709
   75    HA   ARG  10           HA       ARG  10  17.748  -6.472   0.127
   76   1HB   ARG  10          2HB       ARG  10  18.672  -8.147  -1.444
   77   2HB   ARG  10          3HB       ARG  10  16.922  -8.239  -1.434
   78   1HG   ARG  10          2HG       ARG  10  17.006  -6.598  -3.464
   79   2HG   ARG  10          3HG       ARG  10  18.712  -6.986  -3.550
   80   1HD   ARG  10          2HD       ARG  10  18.330  -9.192  -4.216
   81   2HD   ARG  10          3HD       ARG  10  16.806  -9.306  -3.359
   82    HE   ARG  10           HE       ARG  10  15.733  -8.623  -5.310
   83   1HH1  ARG  10          2HH2      ARG  10  19.068  -7.429  -5.415
   84   2HH1  ARG  10          1HH2      ARG  10  18.908  -6.759  -7.004
   85    HH2  ARG  10           HH1      ARG  10  16.815  -6.951  -8.156
   86    H    LYS  11           HN       LYS  11  17.551  -4.211  -2.490
   87    HA   LYS  11           HA       LYS  11  20.461  -3.830  -2.442
   88   1HB   LYS  11          2HB       LYS  11  19.561  -4.369  -4.651
   89   2HB   LYS  11          3HB       LYS  11  18.419  -3.045  -4.542
   90   1HG   LYS  11          2HG       LYS  11  20.186  -1.389  -4.558
   91   2HG   LYS  11          3HG       LYS  11  21.423  -2.600  -4.287
   92   1HD   LYS  11          2HD       LYS  11  21.690  -2.652  -6.546
   93   2HD   LYS  11          3HD       LYS  11  20.174  -3.529  -6.607
   94   1HE   LYS  11          2HE       LYS  11  19.582  -1.780  -7.998
   95   2HE   LYS  11          3HE       LYS  11  19.153  -1.027  -6.475
   96   1HZ   LYS  11          1HZ       LYS  11  20.953  -0.027  -8.257
   97   2HZ   LYS  11          2HZ       LYS  11  20.828   0.450  -6.705
   98    H    THR  12           HN       THR  12  17.859  -1.541  -3.398
   99    HA   THR  12           HA       THR  12  17.695  -0.104  -1.036
  100    HB   THR  12           HB       THR  12  20.261   0.119  -1.821
  101    HG1  THR  12           HG1      THR  12  18.333   2.164  -0.990
  102   1HG2  THR  12          3HG2      THR  12  19.133   1.259  -4.050
  103   2HG2  THR  12          1HG2      THR  12  19.238   2.683  -2.987
  104   3HG2  THR  12          2HG2      THR  12  20.708   1.764  -3.394
  105    H    VAL  13           HN       VAL  13  15.879  -0.986  -2.915
  106    HA   VAL  13           HA       VAL  13  15.211   0.524  -5.020
  107    HB   VAL  13           HB       VAL  13  12.822   0.099  -4.325
  108   1HG1  VAL  13          1HG1      VAL  13  14.935  -1.761  -4.990
  109   2HG1  VAL  13          2HG1      VAL  13  13.684  -2.566  -4.015
  110   3HG1  VAL  13          3HG1      VAL  13  13.239  -1.736  -5.525
  111   1HG2  VAL  13          1HG2      VAL  13  14.208  -1.091  -1.904
  112   2HG2  VAL  13          2HG2      VAL  13  12.992   0.208  -1.931
  113   3HG2  VAL  13          3HG2      VAL  13  12.530  -1.453  -2.373
  114    H    LYS  14           HN       LYS  14  13.800   2.400  -5.372
  115    HA   LYS  14           HA       LYS  14  14.192   4.362  -3.229
  116   1HB   LYS  14          2HB       LYS  14  14.198   6.048  -4.912
  117   2HB   LYS  14          3HB       LYS  14  15.280   4.778  -5.445
  118   1HG   LYS  14          2HG       LYS  14  13.870   4.092  -7.169
  119   2HG   LYS  14          3HG       LYS  14  12.412   4.545  -6.309
  120   1HD   LYS  14          2HD       LYS  14  12.345   6.480  -7.482
  121   2HD   LYS  14          3HD       LYS  14  13.844   6.975  -6.720
  122   1HE   LYS  14          2HE       LYS  14  14.048   5.035  -9.014
  123   2HE   LYS  14          3HE       LYS  14  13.611   6.686  -9.403
  124   1HZ   LYS  14          1HZ       LYS  14  15.631   7.266  -7.903
  125   2HZ   LYS  14          2HZ       LYS  14  16.097   5.724  -8.147
  126    H    CYS  15           HN       CYS  15  12.452   5.623  -2.476
  127    HA   CYS  15           HA       CYS  15   9.913   4.327  -2.804
  128   1HB   CYS  15          2HB       CYS  15  10.689   5.066  -0.578
  129   2HB   CYS  15          3HB       CYS  15  10.691   6.732  -1.122
  130    H    PHE  16           HN       PHE  16   8.664   4.840  -4.571
  131    HA   PHE  16           HA       PHE  16   9.128   7.248  -6.017
  132   1HB   PHE  16          2HB       PHE  16   7.090   4.953  -6.056
  133   2HB   PHE  16          3HB       PHE  16   6.986   6.269  -7.208
  134    HD1  PHE  16           HD1      PHE  16   9.779   6.736  -7.930
  135    HD2  PHE  16           HD2      PHE  16   7.735   3.080  -7.251
  136    HE1  PHE  16           HE1      PHE  16  11.402   5.549  -9.432
  137    HE2  PHE  16           HE2      PHE  16   9.358   1.893  -8.755
  138    HZ   PHE  16           HZ       PHE  16  11.172   3.142  -9.827
  139    H    ASN  17           HN       ASN  17   7.699   6.839  -3.080
  140    HA   ASN  17           HA       ASN  17   5.384   8.458  -3.660
  141   1HB   ASN  17          2HB       ASN  17   5.549   6.421  -1.968
  142   2HB   ASN  17          3HB       ASN  17   6.281   7.586  -0.884
  143   1HD2  ASN  17          2HD2      ASN  17   3.025   8.151   0.273
  144   2HD2  ASN  17          1HD2      ASN  17   4.568   7.412   0.549
  145    H    CYS  18           HN       CYS  18   8.130   8.413  -1.249
  146    HA   CYS  18           HA       CYS  18   7.859  11.268  -0.920
  147   1HB   CYS  18          2HB       CYS  18   9.568  10.982   0.854
  148   2HB   CYS  18          3HB       CYS  18   8.154   9.976   1.098
  149    H    GLY  19           HN       GLY  19  10.186   8.771  -2.116
  150   1HA   GLY  19          1HA       GLY  19  11.445   9.226  -4.090
  151   2HA   GLY  19          2HA       GLY  19  11.571  10.907  -3.611
  152    H    LYS  20           HN       LYS  20  11.910   8.221  -1.276
  153    HA   LYS  20           HA       LYS  20  14.678   9.069  -0.881
  154   1HB   LYS  20          2HB       LYS  20  12.633   8.749   0.915
  155   2HB   LYS  20          3HB       LYS  20  13.445   7.203   1.047
  156   1HG   LYS  20          2HG       LYS  20  15.649   8.722   1.109
  157   2HG   LYS  20          3HG       LYS  20  14.525   9.968   1.615
  158   1HD   LYS  20          2HD       LYS  20  13.717   8.477   3.465
  159   2HD   LYS  20          3HD       LYS  20  14.861   7.247   2.965
  160   1HE   LYS  20          2HE       LYS  20  16.384   9.644   3.222
  161   2HE   LYS  20          3HE       LYS  20  15.317   9.615   4.612
  162   1HZ   LYS  20          1HZ       LYS  20  17.417   8.382   4.980
  163   2HZ   LYS  20          2HZ       LYS  20  16.124   7.409   5.162
  164    H    GLU  21           HN       GLU  21  15.861   6.874   0.226
  165    HA   GLU  21           HA       GLU  21  15.436   4.771  -1.736
  166   1HB   GLU  21          2HB       GLU  21  17.798   6.486  -1.440
  167   2HB   GLU  21          3HB       GLU  21  18.214   4.793  -1.252
  168   1HG   GLU  21          2HG       GLU  21  17.488   4.226  -3.426
  169   2HG   GLU  21          3HG       GLU  21  16.401   5.596  -3.537
  170    HE1  GLU  21           HE2      GLU  21  17.863   7.663  -3.062
  171    H    GLY  22           HN       GLY  22  15.048   2.871  -0.693
  172   1HA   GLY  22          1HA       GLY  22  16.414   1.400   0.942
  173   2HA   GLY  22          2HA       GLY  22  15.940   2.630   2.097
  174    H    HIS  23           HN       HIS  23  13.313   3.108   0.592
  175    HA   HIS  23           HA       HIS  23  11.987   0.569   1.089
  176   1HB   HIS  23          2HB       HIS  23  10.422   1.421   2.612
  177   2HB   HIS  23          3HB       HIS  23  11.977   1.980   3.194
  178    HD1  HIS  23           HD1      HIS  23  12.420   4.525   3.218
  179    HD2  HIS  23           HD2      HIS  23   8.725   3.466   1.540
  180    HE1  HIS  23           HE1      HIS  23  11.096   6.692   2.980
  181    H    ILE  24           HN       ILE  24   9.752   0.535   0.153
  182    HA   ILE  24           HA       ILE  24   9.655   2.352  -2.149
  183    HB   ILE  24           HB       ILE  24   8.528   0.644  -3.345
  184   1HG1  ILE  24          2HG1      ILE  24   8.533  -1.063  -0.840
  185   2HG1  ILE  24          3HG1      ILE  24   7.145  -0.163  -1.419
  186   1HG2  ILE  24          3HG2      ILE  24  11.137   0.474  -2.584
  187   2HG2  ILE  24          1HG2      ILE  24  10.532  -1.130  -2.107
  188   3HG2  ILE  24          2HG2      ILE  24  10.358  -0.578  -3.791
  189   1HD1  ILE  24          3HD1      ILE  24   8.621  -2.131  -3.211
  190   2HD1  ILE  24          1HD1      ILE  24   7.304  -2.642  -2.128
  191   3HD1  ILE  24          2HD1      ILE  24   6.984  -1.464  -3.423
  192    H    ALA  25           HN       ALA  25   7.412   2.947  -2.895
  193    HA   ALA  25           HA       ALA  25   6.041   4.267  -0.937
  194   1HB   ALA  25          3HB       ALA  25   5.169   3.177  -3.636
  195   2HB   ALA  25          1HB       ALA  25   4.159   4.265  -2.653
  196   3HB   ALA  25          2HB       ALA  25   5.742   4.817  -3.251
  197    H    LYS  26           HN       LYS  26   5.707   0.883  -2.068
  198    HA   LYS  26           HA       LYS  26   3.282   0.328  -0.818
  199   1HB   LYS  26          2HB       LYS  26   5.584  -1.572  -1.351
  200   2HB   LYS  26          3HB       LYS  26   3.906  -2.006  -1.101
  201   1HG   LYS  26          2HG       LYS  26   4.454   0.009  -3.260
  202   2HG   LYS  26          3HG       LYS  26   4.988  -1.632  -3.571
  203   1HD   LYS  26          2HD       LYS  26   2.215  -1.325  -2.463
  204   2HD   LYS  26          3HD       LYS  26   2.461  -0.762  -4.104
  205   1HE   LYS  26          2HE       LYS  26   3.552  -3.033  -4.609
  206   2HE   LYS  26          3HE       LYS  26   3.020  -3.563  -3.027
  207   1HZ   LYS  26          1HZ       LYS  26   0.728  -2.623  -3.958
  208   2HZ   LYS  26          2HZ       LYS  26   1.404  -2.996  -5.391
  209    H    ASN  27           HN       ASN  27   6.687   0.193   0.362
  210    HA   ASN  27           HA       ASN  27   5.668  -0.559   2.959
  211   1HB   ASN  27          2HB       ASN  27   8.477  -0.331   1.779
  212   2HB   ASN  27          3HB       ASN  27   8.220  -0.608   3.490
  213   1HD2  ASN  27          2HD2      ASN  27   7.096  -3.481   0.709
  214   2HD2  ASN  27          1HD2      ASN  27   7.114  -1.795   0.319
  215    H    CYS  28           HN       CYS  28   5.649   2.215   1.362
  216    HA   CYS  28           HA       CYS  28   7.233   3.867   3.097
  217   1HB   CYS  28          2HB       CYS  28   7.032   4.415   0.708
  218   2HB   CYS  28          3HB       CYS  28   5.298   4.603   0.874
  219    H    ARG  29           HN       ARG  29   6.435   5.082   4.840
  220    HA   ARG  29           HA       ARG  29   3.938   4.254   5.849
  221   1HB   ARG  29          2HB       ARG  29   6.287   5.753   6.784
  222   2HB   ARG  29          3HB       ARG  29   4.808   6.514   7.334
  223   1HG   ARG  29          2HG       ARG  29   4.079   4.067   8.006
  224   2HG   ARG  29          3HG       ARG  29   5.786   3.692   7.873
  225   1HD   ARG  29          2HD       ARG  29   5.806   4.348  10.086
  226   2HD   ARG  29          3HD       ARG  29   5.984   5.944   9.384
  227    HE   ARG  29           HE       ARG  29   3.864   6.472  10.194
  228   1HH1  ARG  29          1HH2      ARG  29   2.500   2.670  10.537
  229   2HH1  ARG  29          2HH2      ARG  29   4.068   2.950   9.856
  230    HH2  ARG  29           HH1      ARG  29   1.181   4.538  11.255
  231    H    ALA  30           HN       ALA  30   5.219   7.075   4.086
  232    HA   ALA  30           HA       ALA  30   3.237   8.926   4.652
  233   1HB   ALA  30          3HB       ALA  30   4.897   8.467   2.142
  234   2HB   ALA  30          1HB       ALA  30   3.960   9.941   2.484
  235   3HB   ALA  30          2HB       ALA  30   5.327   9.491   3.531
  236    HA   PRO  31           HA       PRO  31  -0.216   7.486   2.486
  237   1HB   PRO  31          2HB       PRO  31  -1.511   9.803   1.835
  238   2HB   PRO  31          3HB       PRO  31  -1.583   9.080   3.430
  239   1HG   PRO  31          2HG       PRO  31  -0.065  11.455   2.538
  240   2HG   PRO  31          3HG       PRO  31  -0.489  10.972   4.169
  241   1HD   PRO  31          2HD       PRO  31   2.076  10.707   2.913
  242   2HD   PRO  31          3HD       PRO  31   1.620  10.120   4.500
  243    H    ARG  32           HN       ARG  32  -1.265   7.070   0.476
  244    HA   ARG  32           HA       ARG  32   0.531   7.034  -1.577
  245   1HB   ARG  32          2HB       ARG  32  -2.519   7.068  -1.823
  246   2HB   ARG  32          3HB       ARG  32  -1.405   6.415  -3.007
  247   1HG   ARG  32          2HG       ARG  32  -1.076   5.330  -0.244
  248   2HG   ARG  32          3HG       ARG  32  -2.599   4.932  -1.014
  249   1HD   ARG  32          2HD       ARG  32  -1.128   3.164  -1.658
  250   2HD   ARG  32          3HD       ARG  32  -1.212   4.194  -3.072
  251    HE   ARG  32           HE       ARG  32   1.066   4.607  -2.829
  252   1HH1  ARG  32          2HH2      ARG  32  -0.227   3.687   0.338
  253   2HH1  ARG  32          1HH2      ARG  32   1.320   3.722   1.119
  254    HH2  ARG  32           HH1      ARG  32   3.265   4.292  -0.159
  255    H    LYS  33           HN       LYS  33   1.467   8.875  -2.451
  256    HA   LYS  33           HA       LYS  33  -0.378  10.893  -3.479
  257   1HB   LYS  33          2HB       LYS  33   1.015  11.337  -1.154
  258   2HB   LYS  33          3HB       LYS  33   2.117  11.989  -2.351
  259   1HG   LYS  33          2HG       LYS  33   0.399  13.469  -3.247
  260   2HG   LYS  33          3HG       LYS  33  -0.852  12.688  -2.302
  261   1HD   LYS  33          2HD       LYS  33   0.398  13.416  -0.194
  262   2HD   LYS  33          3HD       LYS  33   1.475  14.342  -1.222
  263   1HE   LYS  33          2HE       LYS  33  -1.253  14.961  -1.975
  264   2HE   LYS  33          3HE       LYS  33  -1.117  15.103  -0.234
  265   1HZ   LYS  33          1HZ       LYS  33   0.084  16.751  -2.267
  266   2HZ   LYS  33          2HZ       LYS  33  -0.222  17.110  -0.709
  267    H    LYS  34           HN       LYS  34   1.320  12.578  -4.751
  268    HA   LYS  34           HA       LYS  34   3.297  10.997  -6.154
  269   1HB   LYS  34          2HB       LYS  34   0.878  10.788  -7.208
  270   2HB   LYS  34          3HB       LYS  34   1.254  12.367  -7.868
  271   1HG   LYS  34          2HG       LYS  34   3.346  11.479  -8.873
  272   2HG   LYS  34          3HG       LYS  34   3.046   9.908  -8.157
  273   1HD   LYS  34          2HD       LYS  34   0.934   9.699  -9.468
  274   2HD   LYS  34          3HD       LYS  34   1.196  11.286 -10.163
  275   1HE   LYS  34          2HE       LYS  34   3.179   8.980 -10.454
  276   2HE   LYS  34          3HE       LYS  34   1.931   9.331 -11.633
  277   1HZ   LYS  34          1HZ       LYS  34   4.420  10.649 -11.277
  278   2HZ   LYS  34          2HZ       LYS  34   3.358  10.814 -12.501
  279    H    GLY  35           HN       GLY  35   4.026  12.862  -4.420
  280   1HA   GLY  35          1HA       GLY  35   4.121  15.471  -5.718
  281   2HA   GLY  35          2HA       GLY  35   4.679  15.054  -4.110
  282    H    CYS  36           HN       CYS  36   5.882  16.284  -6.797
  283    HA   CYS  36           HA       CYS  36   7.900  14.560  -7.621
  284   1HB   CYS  36          2HB       CYS  36   7.281  16.459  -8.971
  285   2HB   CYS  36          3HB       CYS  36   7.703  17.585  -7.697
  286    H    TRP  37           HN       TRP  37   9.749  13.895  -6.569
  287    HA   TRP  37           HA       TRP  37  10.316  15.040  -3.983
  288   1HB   TRP  37          2HB       TRP  37  12.197  13.058  -4.992
  289   2HB   TRP  37          3HB       TRP  37  11.255  13.080  -3.515
  290    HD1  TRP  37           HD1      TRP  37   8.417  12.469  -4.127
  291    HE1  TRP  37           HE1      TRP  37   7.463  10.444  -5.527
  292    HE3  TRP  37           HE3      TRP  37  12.711  11.531  -6.684
  293    HZ2  TRP  37           HZ2      TRP  37   8.587   8.717  -7.501
  294    HZ3  TRP  37           HZ3      TRP  37  12.698   9.657  -8.328
  295    HH2  TRP  37           HH2      TRP  37  10.729   8.274  -8.755
  296    H    LYS  38           HN       LYS  38  10.582  16.782  -6.348
  297    HA   LYS  38           HA       LYS  38  13.449  17.328  -6.090
  298   1HB   LYS  38          2HB       LYS  38  12.333  16.295  -8.394
  299   2HB   LYS  38          3HB       LYS  38  12.299  18.020  -8.706
  300   1HG   LYS  38          2HG       LYS  38  14.480  17.747  -9.334
  301   2HG   LYS  38          3HG       LYS  38  14.816  17.758  -7.614
  302   1HD   LYS  38          2HD       LYS  38  15.278  15.509  -7.552
  303   2HD   LYS  38          3HD       LYS  38  13.962  15.104  -8.636
  304   1HE   LYS  38          2HE       LYS  38  15.311  15.144 -10.487
  305   2HE   LYS  38          3HE       LYS  38  16.113  16.620  -9.987
  306   1HZ   LYS  38          1HZ       LYS  38  16.928  14.610  -8.226
  307   2HZ   LYS  38          2HZ       LYS  38  17.055  13.979  -9.723
  308    H    CYS  39           HN       CYS  39  10.182  18.547  -7.071
  309    HA   CYS  39           HA       CYS  39  11.059  21.175  -6.120
  310   1HB   CYS  39          2HB       CYS  39   9.138  22.056  -7.491
  311   2HB   CYS  39          3HB       CYS  39  10.450  21.351  -8.415
  312    H    GLY  40           HN       GLY  40   8.681  18.516  -5.931
  313   1HA   GLY  40          1HA       GLY  40   7.559  17.987  -3.952
  314   2HA   GLY  40          2HA       GLY  40   7.679  19.653  -3.419
  315    H    LYS  41           HN       LYS  41   6.787  19.055  -6.781
  316    HA   LYS  41           HA       LYS  41   4.132  20.086  -6.172
  317   1HB   LYS  41          2HB       LYS  41   6.012  20.673  -8.153
  318   2HB   LYS  41          3HB       LYS  41   4.789  19.742  -8.992
  319   1HG   LYS  41          2HG       LYS  41   3.907  21.914  -9.136
  320   2HG   LYS  41          3HG       LYS  41   3.066  21.287  -7.733
  321   1HD   LYS  41          2HD       LYS  41   4.517  22.455  -6.204
  322   2HD   LYS  41          3HD       LYS  41   5.695  22.796  -7.455
  323   1HE   LYS  41          2HE       LYS  41   3.385  23.952  -8.504
  324   2HE   LYS  41          3HE       LYS  41   3.187  24.234  -6.787
  325   1HZ   LYS  41          1HZ       LYS  41   5.427  25.228  -6.762
  326   2HZ   LYS  41          2HZ       LYS  41   5.592  24.983  -8.363
  327    H    GLU  42           HN       GLU  42   2.382  18.784  -6.094
  328    HA   GLU  42           HA       GLU  42   2.775  16.032  -6.749
  329   1HB   GLU  42          2HB       GLU  42   0.482  15.753  -5.806
  330   2HB   GLU  42          3HB       GLU  42   1.553  16.605  -4.712
  331   1HG   GLU  42          2HG       GLU  42   0.175  18.404  -4.693
  332   2HG   GLU  42          3HG       GLU  42   0.297  18.559  -6.435
  333    HE2  GLU  42           HE2      GLU  42  -1.635  18.672  -7.125
  334    H    GLY  43           HN       GLY  43   2.312  15.112  -8.701
  335   1HA   GLY  43          1HA       GLY  43   0.257  15.032 -10.252
  336   2HA   GLY  43          2HA       GLY  43   0.707  16.690 -10.598
  337    H    HIS  44           HN       HIS  44   3.499  16.629 -10.640
  338    HA   HIS  44           HA       HIS  44   3.934  14.891 -12.946
  339   1HB   HIS  44          2HB       HIS  44   5.518  16.450 -13.721
  340   2HB   HIS  44          3HB       HIS  44   4.145  17.393 -13.175
  341    HD1  HIS  44           HD1      HIS  44   4.546  19.123 -11.350
  342    HD2  HIS  44           HD2      HIS  44   7.810  16.550 -11.921
  343    HE1  HIS  44           HE1      HIS  44   6.466  20.087  -9.973
  344    H    GLN  45           HN       GLN  45   6.370  14.200 -13.169
  345    HA   GLN  45           HA       GLN  45   7.204  13.309 -10.518
  346   1HB   GLN  45          2HB       GLN  45   7.980  11.237 -11.503
  347   2HB   GLN  45          3HB       GLN  45   6.328  11.492 -12.029
  348   1HG   GLN  45          2HG       GLN  45   7.818  12.811 -14.001
  349   2HG   GLN  45          3HG       GLN  45   8.815  11.420 -13.627
  350   1HE2  GLN  45          2HE2      GLN  45   6.899   9.145 -15.375
  351   2HE2  GLN  45          1HE2      GLN  45   8.383   9.595 -14.603
  352    H    MET  46           HN       MET  46   9.587  12.993 -10.240
  353    HA   MET  46           HA       MET  46  10.989  15.202 -10.938
  354   1HB   MET  46          2HB       MET  46  12.867  14.061  -9.969
  355   2HB   MET  46          3HB       MET  46  11.483  13.295  -9.213
  356   1HG   MET  46          2HG       MET  46  12.631  11.388  -9.884
  357   2HG   MET  46          3HG       MET  46  11.664  11.640 -11.323
  358   1HE   MET  46          2HE       MET  46  14.943  11.499  -9.658
  359   2HE   MET  46          3HE       MET  46  16.149  12.153 -10.793
  360   3HE   MET  46          1HE       MET  46  15.118  13.260  -9.855
  361    H    LYS  47           HN       LYS  47  10.510  12.191 -12.774
  362    HA   LYS  47           HA       LYS  47  12.639  12.419 -14.540
  363   1HB   LYS  47          2HB       LYS  47  10.980  10.486 -14.139
  364   2HB   LYS  47          3HB       LYS  47   9.927  11.309 -15.271
  365   1HG   LYS  47          2HG       LYS  47  11.122   9.922 -16.724
  366   2HG   LYS  47          3HG       LYS  47  12.077  11.387 -16.818
  367   1HD   LYS  47          2HD       LYS  47  13.838  10.023 -16.296
  368   2HD   LYS  47          3HD       LYS  47  13.259  10.174 -14.650
  369   1HE   LYS  47          2HE       LYS  47  12.866   7.942 -14.590
  370   2HE   LYS  47          3HE       LYS  47  11.672   8.124 -15.861
  371   1HZ   LYS  47          1HZ       LYS  47  13.136   6.824 -16.994
  372   2HZ   LYS  47          2HZ       LYS  47  13.944   8.208 -17.280
  373    H    ASP  48           HN       ASP  48   9.357  13.900 -14.552
  374    HA   ASP  48           HA       ASP  48  10.219  15.411 -16.886
  375   1HB   ASP  48          2HB       ASP  48   7.936  13.967 -16.601
  376   2HB   ASP  48          3HB       ASP  48   7.374  15.475 -15.909
  377    HD2  ASP  48           HD2      ASP  48   7.288  15.061 -19.731
  378    H    CYS  49           HN       CYS  49  10.959  15.891 -13.996
  379    HA   CYS  49           HA       CYS  49   9.501  17.672 -12.632
  380   1HB   CYS  49          2HB       CYS  49  11.735  16.749 -11.973
  381   2HB   CYS  49          3HB       CYS  49  12.499  17.909 -13.042
  382    H    THR  50           HN       THR  50   8.409  19.464 -13.364
  383    HA   THR  50           HA       THR  50   9.295  20.836 -15.725
  384    HB   THR  50           HB       THR  50   7.204  22.154 -15.283
  385    HG1  THR  50           HG1      THR  50   6.062  21.213 -13.269
  386   1HG2  THR  50          3HG2      THR  50   7.080  19.125 -14.961
  387   2HG2  THR  50          1HG2      THR  50   5.600  20.112 -14.940
  388   3HG2  THR  50          2HG2      THR  50   6.640  20.098 -16.384
  389    H    GLU  51           HN       GLU  51  10.508  20.843 -12.655
  390    HA   GLU  51           HA       GLU  51  11.182  23.671 -12.913
  391   1HB   GLU  51          2HB       GLU  51   9.698  22.981 -10.908
  392   2HB   GLU  51          3HB       GLU  51  11.108  22.154 -10.277
  393   1HG   GLU  51          2HG       GLU  51  11.408  25.028 -11.161
  394   2HG   GLU  51          3HG       GLU  51  10.595  24.707  -9.643
  395    HE1  GLU  51           HE2      GLU  51  13.525  22.818  -8.600
  396    H    ARG  52           HN       ARG  52  12.834  22.404 -14.397
  397    HA   ARG  52           HA       ARG  52  15.078  21.722 -12.674
  398   1HB   ARG  52          2HB       ARG  52  13.956  19.826 -14.128
  399   2HB   ARG  52          3HB       ARG  52  14.749  20.603 -15.484
  400   1HG   ARG  52          2HG       ARG  52  16.216  18.843 -14.654
  401   2HG   ARG  52          3HG       ARG  52  16.955  20.389 -14.286
  402   1HD   ARG  52          2HD       ARG  52  15.131  19.342 -12.165
  403   2HD   ARG  52          3HD       ARG  52  16.567  18.376 -12.440
  404    HE   ARG  52           HE       ARG  52  17.662  20.859 -12.312
  405   1HH1  ARG  52          2HH2      ARG  52  15.259  19.307 -10.221
  406   2HH1  ARG  52          1HH2      ARG  52  15.731  20.197  -8.810
  407    HH2  ARG  52           HH1      ARG  52  17.510  21.794  -8.969
  408    H    GLN  53           HN       GLN  53  17.233  22.330 -13.549
  409    HA   GLN  53           HA       GLN  53  17.408  23.757 -15.958
  410   1HB   GLN  53          2HB       GLN  53  17.909  25.999 -15.057
  411   2HB   GLN  53          3HB       GLN  53  16.272  25.519 -14.656
  412   1HG   GLN  53          2HG       GLN  53  17.900  24.547 -12.526
  413   2HG   GLN  53          3HG       GLN  53  18.484  26.163 -12.865
  414   1HE2  GLN  53          2HE2      GLN  53  15.925  26.779 -10.407
  415   2HE2  GLN  53          1HE2      GLN  53  17.556  26.220 -10.575
  416    H    ALA  54           HN       ALA  54  18.872  21.673 -15.510
  417    HA   ALA  54           HA       ALA  54  20.967  21.562 -13.846
  418   1HB   ALA  54          2HB       ALA  54  20.209  20.448 -16.373
  419   2HB   ALA  54          3HB       ALA  54  21.936  20.871 -16.458
  420   3HB   ALA  54          1HB       ALA  54  21.346  19.790 -15.172
  421    H    ASN  55           HN       ASN  55  21.132  23.159 -17.115
  422    HA   ASN  55           HA       ASN  55  23.593  24.163 -16.954
  423   1HB   ASN  55          2HB       ASN  55  22.699  26.105 -18.371
  424   2HB   ASN  55          3HB       ASN  55  22.265  24.511 -18.955
  425   1HD2  ASN  55          2HD2      ASN  55  19.453  27.234 -18.089
  426   2HD2  ASN  55          1HD2      ASN  55  21.152  27.532 -18.252
  427   1H5*    G 201          1H5*        G 201  -0.354 -15.363  -6.328
  428   2H5*    G 201          2H5*        G 201   0.191 -14.410  -4.949
  429    H4*    G 201           H4*        G 201   0.300 -16.695  -4.324
  430    H3*    G 201           H3*        G 201   3.188 -16.120  -5.036
  431   1H2*    G 201          1H2*        G 201   3.519 -17.537  -3.174
  432   2HO*    G 201          2HO*        G 201   1.543 -17.787  -1.766
  433    H1*    G 201           H1*        G 201   1.300 -19.159  -3.729
  434    H8     G 201           H8         G 201   3.625 -17.817  -6.461
  435    H1     G 201           H1         G 201   4.739 -23.919  -4.617
  436   1H2     G 201          1H2         G 201   3.485 -24.406  -3.054
  437   2H2     G 201          2H2         G 201   2.308 -23.322  -2.348
  438   1H5*    G 202          1H5*        G 202   2.784 -15.538  -1.154
  439   2H5*    G 202          2H5*        G 202   3.674 -14.201  -0.425
  440    H4*    G 202           H4*        G 202   4.309 -15.977   0.891
  441    H3*    G 202           H3*        G 202   6.368 -15.534  -1.236
  442   1H2*    G 202          1H2*        G 202   7.641 -17.377  -0.486
  443   2HO*    G 202          2HO*        G 202   7.141 -16.740   1.737
  444    H1*    G 202           H1*        G 202   5.432 -19.090  -0.241
  445    H8     G 202           H8         G 202   5.843 -16.640  -3.155
  446    H1     G 202           H1         G 202   7.568 -22.752  -4.403
  447   1H2     G 202          1H2         G 202   7.409 -23.877  -2.683
  448   2H2     G 202          2H2         G 202   6.886 -23.257  -1.133
  449   1H5*    A 203          1H5*        A 203   8.867 -16.827   2.746
  450   2H5*    A 203          2H5*        A 203   9.650 -15.247   2.742
  451    H4*    A 203           H4*        A 203  11.334 -16.931   2.921
  452    H3*    A 203           H3*        A 203  11.250 -15.328   0.435
  453   1H2*    A 203          1H2*        A 203  12.801 -16.652  -0.724
  454   2HO*    A 203          2HO*        A 203  14.074 -16.757   1.267
  455    H1*    A 203           H1*        A 203  11.723 -19.114   0.219
  456    H8     A 203           H8         A 203   9.528 -16.312  -1.158
  457   1H6     A 203          1H6         A 203   9.544 -19.554  -6.492
  458   2H6     A 203          2H6         A 203   8.878 -18.150  -5.688
  459    H2     A 203           H2         A 203  12.265 -21.582  -3.624
  460   1H5*    C 204          1H5*        C 204  15.511 -15.357   1.273
  461   2H5*    C 204          2H5*        C 204  16.241 -14.064   0.322
  462    H4*    C 204           H4*        C 204  16.244 -16.715  -0.334
  463    H3*    C 204           H3*        C 204  16.622 -14.241  -2.013
  464   1H2*    C 204          1H2*        C 204  16.211 -15.496  -3.864
  465   2HO*    C 204          2HO*        C 204  18.289 -16.236  -3.869
  466    H1*    C 204           H1*        C 204  15.725 -18.098  -2.654
  467   1H4     C 204          1H4         C 204  10.454 -17.044  -6.076
  468   2H4     C 204          2H4         C 204  10.001 -15.744  -4.994
  469    H5     C 204           H5         C 204  11.350 -14.986  -3.211
  470    H6     C 204           H6         C 204  13.488 -15.290  -2.013
  471   1H5*    U 205          1H5*        U 205  20.785 -14.483  -3.292
  472   2H5*    U 205          2H5*        U 205  20.530 -12.871  -3.961
  473    H4*    U 205           H4*        U 205  20.125 -15.240  -5.278
  474    H3*    U 205           H3*        U 205  18.594 -12.711  -5.973
  475   1H2*    U 205          1H2*        U 205  18.580 -13.721  -8.091
  476   2HO*    U 205          2HO*        U 205  20.497 -14.580  -8.664
  477    H1*    U 205           H1*        U 205  18.377 -16.337  -7.238
  478    H3     U 205           H3         U 205  14.055 -15.905  -8.313
  479    H5     U 205           H5         U 205  14.518 -13.060  -5.275
  480    H6     U 205           H6         U 205  16.904 -13.627  -5.245
  481   1H5*    A 206          1H5*        A 206  20.627 -12.592  -8.472
  482   2H5*    A 206          2H5*        A 206  21.573 -11.290  -9.193
  483    H4*    A 206           H4*        A 206  19.982 -11.797 -10.811
  484    H3*    A 206           H3*        A 206  18.799  -9.482  -9.232
  485   1H2*    A 206          1H2*        A 206  17.248  -9.356 -10.925
  486   2HO*    A 206          2HO*        A 206  18.069  -9.455 -13.006
  487    H1*    A 206           H1*        A 206  17.569 -12.048 -11.905
  488    H8     A 206           H8         A 206  16.714 -11.276  -8.276
  489   1H6     A 206          1H6         A 206  10.796 -12.418  -9.896
  490   2H6     A 206          2H6         A 206  11.853 -12.064  -8.548
  491    H2     A 206           H2         A 206  13.292 -12.554 -13.569
  492   1H5*    G 207          1H5*        G 207  19.922  -8.048 -12.771
  493   2H5*    G 207          2H5*        G 207  20.053  -6.308 -13.023
  494    H4*    G 207           H4*        G 207  18.099  -7.046 -14.147
  495    H3*    G 207           H3*        G 207  17.314  -5.696 -11.540
  496   1H2*    G 207          1H2*        G 207  15.149  -5.628 -12.404
  497   2HO*    G 207          2HO*        G 207  15.715  -6.357 -15.001
  498    H1*    G 207           H1*        G 207  15.525  -8.078 -13.916
  499    H8     G 207           H8         G 207  16.051  -7.891 -10.158
  500    H1     G 207           H1         G 207  10.183  -9.922 -11.980
  501   1H2     G 207          1H2         G 207   9.997  -9.743 -14.025
  502   2H2     G 207          2H2         G 207  11.245  -9.135 -15.089
  503   1H5*    C 208          1H5*        C 208  18.214  -2.581 -14.819
  504   2H5*    C 208          2H5*        C 208  18.103  -0.875 -14.388
  505    H4*    C 208           H4*        C 208  16.347  -1.513 -15.946
  506    H3*    C 208           H3*        C 208  15.644  -0.503 -13.244
  507   1H2*    C 208          1H2*        C 208  13.388  -1.035 -13.415
  508   2HO*    C 208          2HO*        C 208  12.755  -0.320 -15.369
  509    H1*    C 208           H1*        C 208  13.848  -3.414 -14.989
  510   1H4     C 208          1H4         C 208  11.903  -5.725  -9.381
  511   2H4     C 208          2H4         C 208  13.372  -5.155  -8.621
  512    H5     C 208           H5         C 208  15.024  -3.888  -9.736
  513    H6     C 208           H6         C 208  15.680  -2.846 -11.876
  514   1H5*    G 209          1H5*        G 209  13.691   1.719 -15.966
  515   2H5*    G 209          2H5*        G 209  13.096   3.355 -15.679
  516    H4*    G 209           H4*        G 209  11.338   1.714 -15.343
  517    H3*    G 209           H3*        G 209  12.226   2.998 -12.734
  518   1H2*    G 209          1H2*        G 209  10.173   2.240 -11.882
  519   2HO*    G 209          2HO*        G 209   8.484   2.249 -13.294
  520    H1*    G 209           H1*        G 209  10.168  -0.208 -13.220
  521    H8     G 209           H8         G 209  13.346   1.334 -11.734
  522    H1     G 209           H1         G 209  10.553  -3.276  -8.152
  523   1H2     G 209          1H2         G 209   8.802  -3.885  -9.056
  524   2H2     G 209          2H2         G 209   8.183  -3.241 -10.561
  525   1H5*    G 210          1H5*        G 210  10.834   7.304 -11.487
  526   2H5*    G 210          2H5*        G 210  11.002   5.552 -11.392
  527    H4*    G 210           H4*        G 210   8.767   5.184 -11.470
  528    H3*    G 210           H3*        G 210   8.727   6.982 -13.675
  529   1H2*    G 210          1H2*        G 210   7.615   8.757 -12.785
  530   2HO*    G 210          2HO*        G 210   5.572   7.293 -11.640
  531    H1*    G 210           H1*        G 210   6.920   7.618 -10.163
  532    H8     G 210           H8         G 210  10.142   9.149 -11.591
  533    H1     G 210           H1         G 210   7.182  12.622  -7.003
  534   1H2     G 210          1H2         G 210   5.449  11.666  -6.424
  535   2H2     G 210          2H2         G 210   4.884  10.147  -7.084
  536   1H5*    A 211          1H5*        A 211   8.285   3.478 -10.544
  537   2H5*    A 211          2H5*        A 211   8.276   1.903 -11.338
  538    H4*    A 211           H4*        A 211   6.971   1.448  -9.527
  539    H3*    A 211           H3*        A 211   5.289   2.082 -11.843
  540   1H2*    A 211          1H2*        A 211   3.934   3.388 -10.461
  541   2HO*    A 211          2HO*        A 211   2.395   1.777  -9.613
  542    H1*    A 211           H1*        A 211   4.667   1.658  -8.063
  543    H8     A 211           H8         A 211   5.101   5.352  -9.006
  544   1H6     A 211          1H6         A 211   1.753   6.533  -3.872
  545   2H6     A 211          2H6         A 211   2.627   7.271  -5.196
  546    H2     A 211           H2         A 211   2.033   2.125  -4.367
  547   1H5*    G 212          1H5*        G 212   2.987  -2.307  -9.476
  548   2H5*    G 212          2H5*        G 212   3.926  -0.821  -9.339
  549    H4*    G 212           H4*        G 212   5.423  -3.347  -9.841
  550    H3*    G 212           H3*        G 212   3.724  -3.008  -7.467
  551   1H2*    G 212          1H2*        G 212   5.401  -2.774  -5.941
  552   2HO*    G 212          2HO*        G 212   6.740  -4.574  -7.749
  553    H1*    G 212           H1*        G 212   7.570  -2.315  -7.859
  554    H8     G 212           H8         G 212   4.565  -0.299  -6.556
  555    H1     G 212           H1         G 212  10.397   2.162  -5.208
  556   1H2     G 212          1H2         G 212  11.859   0.934  -5.987
  557   2H2     G 212          2H2         G 212  11.551  -0.542  -6.874
  558   1H5*    G 213          1H5*        G 213   2.260  -4.278  -9.654
  559   2H5*    G 213          2H5*        G 213   1.096  -5.516 -10.123
  560    H4*    G 213           H4*        G 213   2.463  -4.974 -12.013
  561    H3*    G 213           H3*        G 213   3.137  -7.690 -10.845
  562   1H2*    G 213          1H2*        G 213   4.664  -7.919 -12.522
  563   2HO*    G 213          2HO*        G 213   2.682  -7.968 -13.840
  564    H1*    G 213           H1*        G 213   4.971  -5.316 -13.501
  565    H8     G 213           H8         G 213   4.997  -6.144  -9.761
  566    H1     G 213           H1         G 213  10.820  -5.373 -12.476
  567   1H2     G 213          1H2         G 213  10.600  -5.069 -14.504
  568   2H2     G 213          2H2         G 213   9.065  -5.029 -15.344
  569   1H5*    C 214          1H5*        C 214   1.319  -9.596 -14.379
  570   2H5*    C 214          2H5*        C 214   1.541 -11.265 -13.854
  571    H4*    C 214           H4*        C 214   3.212 -10.122 -15.529
  572    H3*    C 214           H3*        C 214   4.261 -11.809 -13.223
  573   1H2*    C 214          1H2*        C 214   6.123 -12.082 -14.630
  574   2HO*    C 214          2HO*        C 214   5.766 -11.722 -16.924
  575    H1*    C 214           H1*        C 214   6.198  -9.522 -15.628
  576   1H4     C 214          1H4         C 214   9.669  -8.757 -10.357
  577   2H4     C 214          2H4         C 214   8.293  -9.152  -9.353
  578    H5     C 214           H5         C 214   6.178  -9.772 -10.202
  579    H6     C 214           H6         C 214   4.850 -10.168 -12.245
  580   1H5*    U 215          1H5*        U 215   4.743 -14.224 -16.796
  581   2H5*    U 215          2H5*        U 215   4.903 -15.902 -16.282
  582    H4*    U 215           H4*        U 215   6.879 -14.809 -17.486
  583    H3*    U 215           H3*        U 215   7.017 -16.505 -15.042
  584   1H2*    U 215          1H2*        U 215   9.129 -15.836 -14.504
  585   2HO*    U 215          2HO*        U 215   9.432 -15.599 -17.360
  586    H1*    U 215           H1*        U 215   9.268 -13.519 -16.274
  587    H3     U 215           H3         U 215  10.962 -11.736 -12.482
  588    H5     U 215           H5         U 215   6.985 -12.583 -11.478
  589    H6     U 215           H6         U 215   6.774 -13.690 -13.656
  590   1H5*    A 216          1H5*        A 216   9.520 -17.832 -17.695
  591   2H5*    A 216          2H5*        A 216   9.975 -19.490 -18.090
  592    H4*    A 216           H4*        A 216  11.824 -18.557 -16.975
  593    H3*    A 216           H3*        A 216  10.243 -20.288 -15.055
  594   1H2*    A 216          1H2*        A 216  11.927 -19.974 -13.499
  595   2HO*    A 216          2HO*        A 216  13.997 -20.050 -14.292
  596    H1*    A 216           H1*        A 216  12.721 -17.403 -14.667
  597    H8     A 216           H8         A 216   9.294 -17.985 -13.162
  598   1H6     A 216          1H6         A 216  11.571 -15.337  -7.989
  599   2H6     A 216          2H6         A 216  10.119 -15.957  -8.743
  600    H2     A 216           H2         A 216  14.912 -15.855 -10.872
  601   1H5*    G 217          1H5*        G 217  13.707 -21.849 -15.788
  602   2H5*    G 217          2H5*        G 217  14.226 -23.517 -15.551
  603    H4*    G 217           H4*        G 217  15.126 -22.429 -13.722
  604    H3*    G 217           H3*        G 217  12.425 -23.392 -12.705
  605   1H2*    G 217          1H2*        G 217  13.365 -23.081 -10.578
  606   2HO*    G 217          2HO*        G 217  15.388 -23.860 -10.518
  607    H1*    G 217           H1*        G 217  14.929 -20.823 -11.472
  608    H8     G 217           H8         G 217  11.165 -21.053 -11.980
  609    H1     G 217           H1         G 217  13.014 -17.736  -6.740
  610   1H2     G 217          1H2         G 217  15.057 -17.897  -6.508
  611   2H2     G 217          2H2         G 217  16.111 -18.797  -7.575
  612   1H5*    U 218          1H5*        U 218  15.314 -26.003 -11.018
  613   2H5*    U 218          2H5*        U 218  14.713 -27.652 -10.839
  614    H4*    U 218           H4*        U 218  15.353 -27.055  -8.688
  615    H3*    U 218           H3*        U 218  12.385 -26.731  -9.024
  616   1H2*    U 218          1H2*        U 218  12.172 -26.038  -6.783
  617   2HO*    U 218          2HO*        U 218  14.673 -26.228  -5.848
  618    H1*    U 218           H1*        U 218  14.537 -24.426  -6.908
  619    H3     U 218           H3         U 218  11.559 -21.161  -6.088
  620    H5     U 218           H5         U 218  10.335 -22.633  -9.812
  621    H6     U 218           H6         U 218  12.051 -24.369  -9.578
  622   1H5*    C 219          1H5*        C 219  13.057 -28.750  -5.824
  623   2H5*    C 219          2H5*        C 219  12.350 -30.334  -5.506
  624    H4*    C 219           H4*        C 219  11.704 -29.221  -3.626
  625    H3*    C 219           H3*        C 219   9.494 -28.777  -5.630
  626   1H2*    C 219          1H2*        C 219   8.272 -27.615  -3.986
  627   2HO*    C 219          2HO*        C 219   8.575 -28.849  -2.193
  628    H1*    C 219           H1*        C 219  10.460 -26.157  -3.021
  629   1H4     C 219          1H4         C 219   7.985 -22.088  -7.237
  630   2H4     C 219          2H4         C 219   8.357 -23.179  -8.552
  631    H5     C 219           H5         C 219   9.315 -25.317  -8.257
  632    H6     C 219           H6         C 219  10.160 -26.951  -6.609
  633   1H5*    C 220          1H5*        C 220   7.965 -31.199  -2.575
  634   2H5*    C 220          2H5*        C 220   7.031 -32.639  -2.978
  635    H4*    C 220           H4*        C 220   5.514 -31.451  -1.739
  636    H3*    C 220           H3*        C 220   5.067 -30.862  -4.635
  637   1H2*    C 220          1H2*        C 220   3.368 -29.294  -4.144
  638   2HO*    C 220          2HO*        C 220   3.760 -30.290  -1.468
  639    H1*    C 220           H1*        C 220   4.834 -28.029  -2.103
  640   1H4     C 220          1H4         C 220   6.095 -24.282  -7.083
  641   2H4     C 220          2H4         C 220   6.904 -25.598  -7.907
  642    H5     C 220           H5         C 220   7.053 -27.792  -7.048
  643    H6     C 220           H6         C 220   6.459 -29.280  -5.169
   
  No H/Q in entry =         643
  Start of MODEL    5
    1    H    MET   1           HN       MET   1  -1.711  -9.989   1.817
    2    HA   MET   1           HA       MET   1  -1.132 -12.148   1.419
    3   1HB   MET   1          2HB       MET   1  -0.662 -11.059  -1.382
    4   2HB   MET   1          3HB       MET   1   0.118 -12.559  -0.924
    5   1HG   MET   1          2HG       MET   1  -2.106 -13.534  -0.312
    6   2HG   MET   1          3HG       MET   1  -2.890 -12.030  -0.754
    7   1HE   MET   1          3HE       MET   1  -3.527 -14.713  -1.517
    8   2HE   MET   1          1HE       MET   1  -3.827 -14.728  -3.271
    9   3HE   MET   1          2HE       MET   1  -2.404 -15.565  -2.605
   10    H    GLN   2           HN       GLN   2   1.173 -13.243   1.005
   11    HA   GLN   2           HA       GLN   2   2.946 -12.118   2.645
   12   1HB   GLN   2          2HB       GLN   2   3.031 -14.170   0.535
   13   2HB   GLN   2          3HB       GLN   2   4.591 -13.408   0.774
   14   1HG   GLN   2          2HG       GLN   2   3.472 -13.878   3.382
   15   2HG   GLN   2          3HG       GLN   2   3.256 -15.350   2.457
   16   1HE2  GLN   2          2HE2      GLN   2   6.465 -16.253   3.477
   17   2HE2  GLN   2          1HE2      GLN   2   4.755 -16.512   3.579
   18    H    LYS   3           HN       LYS   3   2.983 -11.785  -0.977
   19    HA   LYS   3           HA       LYS   3   3.641 -10.089  -2.250
   20   1HB   LYS   3          2HB       LYS   3   3.151  -8.787   0.214
   21   2HB   LYS   3          3HB       LYS   3   4.696  -8.185  -0.353
   22   1HG   LYS   3          2HG       LYS   3   3.216  -8.188  -2.700
   23   2HG   LYS   3          3HG       LYS   3   1.981  -7.817  -1.513
   24   1HD   LYS   3          2HD       LYS   3   4.640  -6.340  -1.516
   25   2HD   LYS   3          3HD       LYS   3   3.327  -5.835  -2.562
   26   1HE   LYS   3          2HE       LYS   3   2.797  -4.546  -0.712
   27   2HE   LYS   3          3HE       LYS   3   1.913  -5.994  -0.273
   28   1HZ   LYS   3          1HZ       LYS   3   3.656  -6.656   1.177
   29   2HZ   LYS   3          2HZ       LYS   3   4.724  -5.587   0.571
   30    H    GLY   4           HN       GLY   4   5.225 -12.048  -2.460
   31   1HA   GLY   4          1HA       GLY   4   7.768 -11.994  -1.323
   32   2HA   GLY   4          2HA       GLY   4   7.326 -12.741  -2.846
   33    H    ASN   5           HN       ASN   5   6.308 -10.041  -3.908
   34    HA   ASN   5           HA       ASN   5   8.588  -9.352  -5.266
   35   1HB   ASN   5          2HB       ASN   5   5.926  -8.719  -5.471
   36   2HB   ASN   5          3HB       ASN   5   6.525  -7.209  -4.814
   37   1HD2  ASN   5          2HD2      ASN   5   7.969  -6.051  -7.736
   38   2HD2  ASN   5          1HD2      ASN   5   7.505  -5.797  -6.087
   39    H    PHE   6           HN       PHE   6   7.533  -8.622  -2.031
   40    HA   PHE   6           HA       PHE   6   8.575  -6.069  -1.667
   41   1HB   PHE   6          2HB       PHE   6   7.095  -7.142  -0.035
   42   2HB   PHE   6          3HB       PHE   6   8.127  -8.555   0.069
   43    HD1  PHE   6           HD2      PHE   6  10.442  -8.258   1.125
   44    HD2  PHE   6           HD1      PHE   6   7.352  -5.371   1.475
   45    HE1  PHE   6           HE2      PHE   6  11.591  -7.273   3.128
   46    HE2  PHE   6           HE1      PHE   6   8.501  -4.385   3.478
   47    HZ   PHE   6           HZ       PHE   6  10.606  -5.347   4.280
   48    H    ARG   7           HN       ARG   7  10.169  -9.094  -2.255
   49    HA   ARG   7           HA       ARG   7  12.426  -8.767  -0.719
   50   1HB   ARG   7          2HB       ARG   7  11.581 -10.385  -3.042
   51   2HB   ARG   7          3HB       ARG   7  13.295 -10.027  -3.087
   52   1HG   ARG   7          2HG       ARG   7  13.576 -10.919  -0.791
   53   2HG   ARG   7          3HG       ARG   7  11.850 -11.198  -0.664
   54   1HD   ARG   7          2HD       ARG   7  13.579 -12.489  -2.825
   55   2HD   ARG   7          3HD       ARG   7  13.263 -13.252  -1.280
   56    HE   ARG   7           HE       ARG   7  10.995 -13.594  -1.905
   57   1HH1  ARG   7          2HH2      ARG   7  12.692 -11.672  -4.351
   58   2HH1  ARG   7          1HH2      ARG   7  11.444 -11.854  -5.538
   59    HH2  ARG   7           HH1      ARG   7   9.488 -13.128  -4.999
   60    H    ASN   8           HN       ASN   8  11.251  -6.873  -3.326
   61    HA   ASN   8           HA       ASN   8  13.493  -6.257  -4.745
   62   1HB   ASN   8          2HB       ASN   8  12.325  -4.067  -5.219
   63   2HB   ASN   8          3HB       ASN   8  11.260  -5.447  -5.391
   64   1HD2  ASN   8          2HD2      ASN   8   9.921  -2.517  -3.258
   65   2HD2  ASN   8          1HD2      ASN   8  10.900  -2.535  -4.687
   66    H    GLN   9           HN       GLN   9  12.669  -5.609  -1.418
   67    HA   GLN   9           HA       GLN   9  13.967  -3.194  -1.039
   68   1HB   GLN   9          2HB       GLN   9  13.405  -5.517   0.849
   69   2HB   GLN   9          3HB       GLN   9  14.088  -3.998   1.395
   70   1HG   GLN   9          2HG       GLN   9  11.965  -3.050  -0.054
   71   2HG   GLN   9          3HG       GLN   9  11.314  -4.600   0.443
   72   1HE2  GLN   9          2HE2      GLN   9  10.504  -1.965   2.975
   73   2HE2  GLN   9          1HE2      GLN   9  10.285  -2.158   1.267
   74    H    ARG  10           HN       ARG  10  15.225  -6.235  -1.946
   75    HA   ARG  10           HA       ARG  10  17.649  -6.044  -0.502
   76   1HB   ARG  10          2HB       ARG  10  18.327  -8.007  -1.795
   77   2HB   ARG  10          3HB       ARG  10  16.649  -8.212  -1.334
   78   1HG   ARG  10          2HG       ARG  10  15.991  -7.252  -3.610
   79   2HG   ARG  10          3HG       ARG  10  17.687  -7.286  -4.051
   80   1HD   ARG  10          2HD       ARG  10  16.225  -9.773  -3.058
   81   2HD   ARG  10          3HD       ARG  10  16.265  -9.331  -4.753
   82    HE   ARG  10           HE       ARG  10  18.571  -9.865  -4.845
   83   1HH1  ARG  10          2HH2      ARG  10  17.410  -9.998  -1.500
   84   2HH1  ARG  10          1HH2      ARG  10  18.830 -10.791  -0.907
   85    HH2  ARG  10           HH1      ARG  10  20.603 -11.319  -2.432
   86    H    LYS  11           HN       LYS  11  16.419  -4.103  -2.860
   87    HA   LYS  11           HA       LYS  11  19.084  -3.589  -3.970
   88   1HB   LYS  11          2HB       LYS  11  17.868  -4.757  -5.695
   89   2HB   LYS  11          3HB       LYS  11  16.466  -3.727  -5.488
   90   1HG   LYS  11          2HG       LYS  11  17.486  -1.877  -6.513
   91   2HG   LYS  11          3HG       LYS  11  19.106  -2.401  -6.099
   92   1HD   LYS  11          2HD       LYS  11  18.987  -2.821  -8.426
   93   2HD   LYS  11          3HD       LYS  11  18.688  -4.399  -7.723
   94   1HE   LYS  11          2HE       LYS  11  16.814  -4.429  -9.029
   95   2HE   LYS  11          3HE       LYS  11  16.120  -3.365  -7.822
   96   1HZ   LYS  11          1HZ       LYS  11  16.649  -2.746 -10.484
   97   2HZ   LYS  11          2HZ       LYS  11  16.076  -1.733  -9.344
   98    H    THR  12           HN       THR  12  17.955  -2.432  -1.616
   99    HA   THR  12           HA       THR  12  17.129  -0.497  -0.766
  100    HB   THR  12           HB       THR  12  19.681  -0.350  -1.445
  101    HG1  THR  12           HG1      THR  12  18.697   1.012   0.160
  102   1HG2  THR  12          1HG2      THR  12  18.553   0.699  -3.813
  103   2HG2  THR  12          2HG2      THR  12  19.030   2.139  -2.881
  104   3HG2  THR  12          3HG2      THR  12  20.240   0.897  -3.284
  105    H    VAL  13           HN       VAL  13  15.239  -1.312  -2.557
  106    HA   VAL  13           HA       VAL  13  14.602   0.151  -4.706
  107    HB   VAL  13           HB       VAL  13  12.211  -0.111  -3.936
  108   1HG1  VAL  13          2HG1      VAL  13  14.228  -2.195  -4.424
  109   2HG1  VAL  13          3HG1      VAL  13  12.757  -2.789  -3.616
  110   3HG1  VAL  13          1HG1      VAL  13  12.636  -1.939  -5.175
  111   1HG2  VAL  13          2HG2      VAL  13  13.587  -1.314  -1.514
  112   2HG2  VAL  13          3HG2      VAL  13  12.475   0.075  -1.547
  113   3HG2  VAL  13          1HG2      VAL  13  11.872  -1.557  -1.923
  114    H    LYS  14           HN       LYS  14  13.293   2.089  -5.102
  115    HA   LYS  14           HA       LYS  14  13.798   4.095  -3.020
  116   1HB   LYS  14          2HB       LYS  14  14.077   5.700  -4.699
  117   2HB   LYS  14          3HB       LYS  14  14.921   4.289  -5.306
  118   1HG   LYS  14          2HG       LYS  14  12.316   3.896  -6.249
  119   2HG   LYS  14          3HG       LYS  14  12.504   5.635  -6.362
  120   1HD   LYS  14          2HD       LYS  14  14.879   4.125  -7.310
  121   2HD   LYS  14          3HD       LYS  14  13.427   3.791  -8.233
  122   1HE   LYS  14          2HE       LYS  14  13.089   6.211  -8.647
  123   2HE   LYS  14          3HE       LYS  14  14.461   6.604  -7.631
  124   1HZ   LYS  14          1HZ       LYS  14  15.910   6.000  -9.263
  125   2HZ   LYS  14          2HZ       LYS  14  15.031   4.728  -9.776
  126    H    CYS  15           HN       CYS  15  12.118   5.328  -2.205
  127    HA   CYS  15           HA       CYS  15   9.517   4.241  -2.626
  128   1HB   CYS  15          2HB       CYS  15  10.289   4.973  -0.395
  129   2HB   CYS  15          3HB       CYS  15  10.398   6.627  -0.966
  130    H    PHE  16           HN       PHE  16   8.317   4.805  -4.411
  131    HA   PHE  16           HA       PHE  16   8.958   7.159  -5.886
  132   1HB   PHE  16          2HB       PHE  16   6.831   4.951  -5.944
  133   2HB   PHE  16          3HB       PHE  16   6.766   6.274  -7.091
  134    HD1  PHE  16           HD1      PHE  16   9.390   6.704  -8.035
  135    HD2  PHE  16           HD2      PHE  16   7.603   3.022  -6.919
  136    HE1  PHE  16           HE1      PHE  16  10.979   5.476  -9.541
  137    HE2  PHE  16           HE2      PHE  16   9.192   1.794  -8.425
  138    HZ   PHE  16           HZ       PHE  16  10.861   3.035  -9.718
  139    H    ASN  17           HN       ASN  17   7.528   6.956  -2.969
  140    HA   ASN  17           HA       ASN  17   5.299   8.676  -3.633
  141   1HB   ASN  17          2HB       ASN  17   5.251   6.645  -1.941
  142   2HB   ASN  17          3HB       ASN  17   6.055   7.739  -0.834
  143   1HD2  ASN  17          2HD2      ASN  17   2.900   8.699   0.281
  144   2HD2  ASN  17          1HD2      ASN  17   4.402   7.898   0.598
  145    H    CYS  18           HN       CYS  18   8.055   8.445  -1.248
  146    HA   CYS  18           HA       CYS  18   7.952  11.329  -0.927
  147   1HB   CYS  18          2HB       CYS  18   9.496  10.968   0.956
  148   2HB   CYS  18          3HB       CYS  18   8.030  10.024   1.123
  149    H    GLY  19           HN       GLY  19  10.101   8.611  -1.958
  150   1HA   GLY  19          1HA       GLY  19  11.506   8.885  -3.854
  151   2HA   GLY  19          2HA       GLY  19  11.726  10.574  -3.443
  152    H    LYS  20           HN       LYS  20  11.763   7.951  -1.006
  153    HA   LYS  20           HA       LYS  20  14.647   8.431  -0.704
  154   1HB   LYS  20          2HB       LYS  20  12.468   8.694   1.189
  155   2HB   LYS  20          3HB       LYS  20  13.615   7.490   1.743
  156   1HG   LYS  20          2HG       LYS  20  15.408   9.339   0.972
  157   2HG   LYS  20          3HG       LYS  20  14.054  10.427   1.205
  158   1HD   LYS  20          2HD       LYS  20  13.797   9.110   3.520
  159   2HD   LYS  20          3HD       LYS  20  15.482   8.714   3.245
  160   1HE   LYS  20          2HE       LYS  20  15.983  11.175   2.967
  161   2HE   LYS  20          3HE       LYS  20  14.308  11.535   3.336
  162   1HZ   LYS  20          1HZ       LYS  20  16.083  11.485   5.237
  163   2HZ   LYS  20          2HZ       LYS  20  14.590  10.909   5.533
  164    H    GLU  21           HN       GLU  21  15.996   6.636  -0.424
  165    HA   GLU  21           HA       GLU  21  14.808   4.199  -1.347
  166   1HB   GLU  21          2HB       GLU  21  17.618   5.219  -0.938
  167   2HB   GLU  21          3HB       GLU  21  17.366   3.489  -1.051
  168   1HG   GLU  21          2HG       GLU  21  17.068   3.601  -3.300
  169   2HG   GLU  21          3HG       GLU  21  15.837   4.837  -3.136
  170    HE2  GLU  21           HE2      GLU  21  17.753   7.498  -3.399
  171    H    GLY  22           HN       GLY  22  14.870   2.162  -0.214
  172   1HA   GLY  22          1HA       GLY  22  15.736   1.028   1.804
  173   2HA   GLY  22          2HA       GLY  22  15.266   2.457   2.704
  174    H    HIS  23           HN       HIS  23  12.796   2.843   0.944
  175    HA   HIS  23           HA       HIS  23  11.257   0.483   1.581
  176   1HB   HIS  23          2HB       HIS  23   9.707   1.508   3.011
  177   2HB   HIS  23          3HB       HIS  23  11.280   1.971   3.630
  178    HD1  HIS  23           HD1      HIS  23  11.911   4.475   3.584
  179    HD2  HIS  23           HD2      HIS  23   8.212   3.629   1.795
  180    HE1  HIS  23           HE1      HIS  23  10.764   6.725   3.216
  181    H    ILE  24           HN       ILE  24   9.074   0.556   0.549
  182    HA   ILE  24           HA       ILE  24   9.187   2.289  -1.815
  183    HB   ILE  24           HB       ILE  24   7.978   0.620  -2.988
  184   1HG1  ILE  24          2HG1      ILE  24   7.764  -0.938  -0.394
  185   2HG1  ILE  24          3HG1      ILE  24   6.460  -0.032  -1.135
  186   1HG2  ILE  24          1HG2      ILE  24  10.545   0.239  -1.964
  187   2HG2  ILE  24          2HG2      ILE  24   9.736  -1.332  -1.753
  188   3HG2  ILE  24          3HG2      ILE  24   9.811  -0.579  -3.364
  189   1HD1  ILE  24          1HD1      ILE  24   7.281  -1.548  -3.276
  190   2HD1  ILE  24          2HD1      ILE  24   7.632  -2.650  -1.924
  191   3HD1  ILE  24          3HD1      ILE  24   5.982  -2.025  -2.156
  192    H    ALA  25           HN       ALA  25   7.050   3.057  -2.656
  193    HA   ALA  25           HA       ALA  25   5.706   4.548  -0.831
  194   1HB   ALA  25          1HB       ALA  25   5.657   4.616  -3.386
  195   2HB   ALA  25          2HB       ALA  25   4.420   3.340  -3.302
  196   3HB   ALA  25          3HB       ALA  25   4.110   4.931  -2.566
  197    H    LYS  26           HN       LYS  26   5.150   1.134  -1.772
  198    HA   LYS  26           HA       LYS  26   2.670   0.831  -0.539
  199   1HB   LYS  26          2HB       LYS  26   4.806  -1.290  -0.876
  200   2HB   LYS  26          3HB       LYS  26   3.078  -1.536  -0.730
  201   1HG   LYS  26          2HG       LYS  26   3.972   0.302  -2.927
  202   2HG   LYS  26          3HG       LYS  26   4.366  -1.394  -3.129
  203   1HD   LYS  26          2HD       LYS  26   1.628  -1.174  -2.188
  204   2HD   LYS  26          3HD       LYS  26   1.838  -0.111  -3.565
  205   1HE   LYS  26          2HE       LYS  26   2.824  -2.017  -4.872
  206   2HE   LYS  26          3HE       LYS  26   2.579  -3.077  -3.499
  207   1HZ   LYS  26          1HZ       LYS  26   0.698  -3.336  -4.909
  208   2HZ   LYS  26          2HZ       LYS  26   0.148  -2.443  -3.663
  209    H    ASN  27           HN       ASN  27   6.038   0.366   0.703
  210    HA   ASN  27           HA       ASN  27   4.943  -0.148   3.310
  211   1HB   ASN  27          2HB       ASN  27   7.777  -0.094   2.166
  212   2HB   ASN  27          3HB       ASN  27   7.486  -0.285   3.884
  213   1HD2  ASN  27          2HD2      ASN  27   6.233  -3.219   1.221
  214   2HD2  ASN  27          1HD2      ASN  27   6.315  -1.550   0.765
  215    H    CYS  28           HN       CYS  28   5.077   2.562   1.611
  216    HA   CYS  28           HA       CYS  28   6.709   4.207   3.306
  217   1HB   CYS  28          2HB       CYS  28   6.524   4.646   0.876
  218   2HB   CYS  28          3HB       CYS  28   4.814   4.980   1.062
  219    H    ARG  29           HN       ARG  29   5.937   5.570   4.961
  220    HA   ARG  29           HA       ARG  29   3.365   4.890   5.942
  221   1HB   ARG  29          2HB       ARG  29   5.706   5.627   7.148
  222   2HB   ARG  29          3HB       ARG  29   4.898   7.182   7.138
  223   1HG   ARG  29          2HG       ARG  29   3.050   5.066   7.971
  224   2HG   ARG  29          3HG       ARG  29   4.489   5.054   8.972
  225   1HD   ARG  29          2HD       ARG  29   4.047   7.140   9.888
  226   2HD   ARG  29          3HD       ARG  29   3.328   7.760   8.415
  227    HE   ARG  29           HE       ARG  29   1.226   6.906   9.076
  228   1HH1  ARG  29          2HH2      ARG  29   3.757   5.714  11.250
  229   2HH1  ARG  29          1HH2      ARG  29   2.637   5.092  12.416
  230    HH2  ARG  29           HH1      ARG  29   0.284   5.321  12.019
  231    H    ALA  30           HN       ALA  30   4.884   7.531   4.125
  232    HA   ALA  30           HA       ALA  30   3.052   9.561   4.657
  233   1HB   ALA  30          2HB       ALA  30   5.267   9.006   2.870
  234   2HB   ALA  30          3HB       ALA  30   3.956   9.824   1.988
  235   3HB   ALA  30          1HB       ALA  30   4.650  10.573   3.445
  236    HA   PRO  31           HA       PRO  31  -0.439   8.366   2.402
  237   1HB   PRO  31          2HB       PRO  31  -1.546  10.772   1.726
  238   2HB   PRO  31          3HB       PRO  31  -1.711  10.054   3.315
  239   1HG   PRO  31          2HG       PRO  31  -0.003  12.314   2.471
  240   2HG   PRO  31          3HG       PRO  31  -0.504  11.861   4.088
  241   1HD   PRO  31          2HD       PRO  31   2.068  11.413   2.900
  242   2HD   PRO  31          3HD       PRO  31   1.529  10.859   4.473
  243    H    ARG  32           HN       ARG  32  -1.518   8.119   0.351
  244    HA   ARG  32           HA       ARG  32   0.322   7.888  -1.652
  245   1HB   ARG  32          2HB       ARG  32  -2.695   8.274  -1.986
  246   2HB   ARG  32          3HB       ARG  32  -1.627   7.497  -3.137
  247   1HG   ARG  32          2HG       ARG  32  -1.560   6.394  -0.352
  248   2HG   ARG  32          3HG       ARG  32  -3.051   6.135  -1.236
  249   1HD   ARG  32          2HD       ARG  32  -1.876   4.268  -1.963
  250   2HD   ARG  32          3HD       ARG  32  -1.365   5.400  -3.199
  251    HE   ARG  32           HE       ARG  32   0.798   5.180  -2.375
  252   1HH1  ARG  32          2HH2      ARG  32  -1.450   4.580   0.297
  253   2HH1  ARG  32          1HH2      ARG  32  -0.194   4.242   1.442
  254    HH2  ARG  32           HH1      ARG  32   2.094   4.340   0.737
  255    H    LYS  33           HN       LYS  33   1.478   9.605  -2.506
  256    HA   LYS  33           HA       LYS  33  -0.101  11.858  -3.499
  257   1HB   LYS  33          2HB       LYS  33   2.232  11.960  -1.607
  258   2HB   LYS  33          3HB       LYS  33   1.998  13.257  -2.762
  259   1HG   LYS  33          2HG       LYS  33  -0.134  13.845  -1.864
  260   2HG   LYS  33          3HG       LYS  33  -0.324  12.303  -1.053
  261   1HD   LYS  33          2HD       LYS  33   0.277  13.661   0.750
  262   2HD   LYS  33          3HD       LYS  33   1.847  13.036   0.283
  263   1HE   LYS  33          2HE       LYS  33   2.550  15.179   0.025
  264   2HE   LYS  33          3HE       LYS  33   1.486  15.311  -1.361
  265   1HZ   LYS  33          1HZ       LYS  33   0.304  16.782  -0.166
  266   2HZ   LYS  33          2HZ       LYS  33  -0.121  15.616   0.887
  267    H    LYS  34           HN       LYS  34   1.756  13.309  -4.813
  268    HA   LYS  34           HA       LYS  34   3.504  11.519  -6.258
  269   1HB   LYS  34          2HB       LYS  34   2.530  12.100  -8.455
  270   2HB   LYS  34          3HB       LYS  34   1.455  11.135  -7.464
  271   1HG   LYS  34          2HG       LYS  34   0.081  13.032  -6.909
  272   2HG   LYS  34          3HG       LYS  34   1.285  14.173  -7.472
  273   1HD   LYS  34          2HD       LYS  34   0.727  13.888  -9.706
  274   2HD   LYS  34          3HD       LYS  34   0.321  12.195  -9.504
  275   1HE   LYS  34          2HE       LYS  34  -1.789  13.196  -9.877
  276   2HE   LYS  34          3HE       LYS  34  -1.738  13.043  -8.132
  277   1HZ   LYS  34          1HZ       LYS  34  -0.589  15.465  -8.546
  278   2HZ   LYS  34          2HZ       LYS  34  -1.714  15.444  -9.723
  279    H    GLY  35           HN       GLY  35   4.464  13.320  -4.572
  280   1HA   GLY  35          1HA       GLY  35   4.816  15.872  -5.962
  281   2HA   GLY  35          2HA       GLY  35   5.286  15.478  -4.321
  282    H    CYS  36           HN       CYS  36   6.634  16.381  -7.110
  283    HA   CYS  36           HA       CYS  36   8.506  14.428  -7.725
  284   1HB   CYS  36          2HB       CYS  36   8.076  16.255  -9.244
  285   2HB   CYS  36          3HB       CYS  36   8.593  17.441  -8.061
  286    H    TRP  37           HN       TRP  37  10.183  13.644  -6.495
  287    HA   TRP  37           HA       TRP  37  10.861  15.028  -4.057
  288   1HB   TRP  37          2HB       TRP  37  12.499  12.726  -4.671
  289   2HB   TRP  37          3HB       TRP  37  11.430  13.023  -3.314
  290    HD1  TRP  37           HD1      TRP  37   8.682  12.441  -3.891
  291    HE1  TRP  37           HE1      TRP  37   7.601  10.466  -5.266
  292    HE3  TRP  37           HE3      TRP  37  12.881  11.267  -6.506
  293    HZ2  TRP  37           HZ2      TRP  37   8.602   8.674  -7.249
  294    HZ3  TRP  37           HZ3      TRP  37  12.745   9.392  -8.142
  295    HH2  TRP  37           HH2      TRP  37  10.698   8.112  -8.533
  296    H    LYS  38           HN       LYS  38  11.404  16.401  -6.608
  297    HA   LYS  38           HA       LYS  38  14.320  16.551  -6.351
  298   1HB   LYS  38          2HB       LYS  38  13.081  15.449  -8.541
  299   2HB   LYS  38          3HB       LYS  38  13.245  17.122  -9.036
  300   1HG   LYS  38          2HG       LYS  38  15.652  15.944  -7.708
  301   2HG   LYS  38          3HG       LYS  38  15.243  15.250  -9.264
  302   1HD   LYS  38          2HD       LYS  38  16.142  17.046 -10.312
  303   2HD   LYS  38          3HD       LYS  38  14.969  18.093  -9.537
  304   1HE   LYS  38          2HE       LYS  38  16.427  18.689  -7.798
  305   2HE   LYS  38          3HE       LYS  38  17.334  17.193  -7.896
  306   1HZ   LYS  38          1HZ       LYS  38  18.665  18.937  -8.831
  307   2HZ   LYS  38          2HZ       LYS  38  18.196  18.015 -10.087
  308    H    CYS  39           HN       CYS  39  11.265  18.139  -7.469
  309    HA   CYS  39           HA       CYS  39  12.539  20.691  -6.809
  310   1HB   CYS  39          2HB       CYS  39  10.711  21.689  -8.241
  311   2HB   CYS  39          3HB       CYS  39  11.906  20.733  -9.095
  312    H    GLY  40           HN       GLY  40   9.804  18.453  -6.303
  313   1HA   GLY  40          1HA       GLY  40   8.674  18.312  -4.261
  314   2HA   GLY  40          2HA       GLY  40   9.044  19.991  -3.923
  315    H    LYS  41           HN       LYS  41   8.017  19.240  -7.198
  316    HA   LYS  41           HA       LYS  41   5.540  20.674  -6.673
  317   1HB   LYS  41          2HB       LYS  41   7.433  20.813  -8.704
  318   2HB   LYS  41          3HB       LYS  41   6.111  19.935  -9.447
  319   1HG   LYS  41          2HG       LYS  41   4.542  21.697  -9.020
  320   2HG   LYS  41          3HG       LYS  41   5.585  22.459  -7.834
  321   1HD   LYS  41          2HD       LYS  41   6.892  22.211 -10.469
  322   2HD   LYS  41          3HD       LYS  41   5.402  23.129 -10.556
  323   1HE   LYS  41          2HE       LYS  41   6.385  24.331  -8.374
  324   2HE   LYS  41          3HE       LYS  41   7.914  23.735  -8.986
  325   1HZ   LYS  41          1HZ       LYS  41   6.483  25.952  -9.903
  326   2HZ   LYS  41          2HZ       LYS  41   7.894  25.387 -10.486
  327    H    GLU  42           HN       GLU  42   3.593  19.683  -6.529
  328    HA   GLU  42           HA       GLU  42   3.584  16.838  -6.891
  329   1HB   GLU  42          2HB       GLU  42   1.404  16.911  -5.788
  330   2HB   GLU  42          3HB       GLU  42   2.541  17.894  -4.887
  331   1HG   GLU  42          2HG       GLU  42   1.532  19.770  -6.638
  332   2HG   GLU  42          3HG       GLU  42   0.138  18.725  -6.452
  333    HE2  GLU  42           HE2      GLU  42  -0.583  20.616  -5.520
  334    H    GLY  43           HN       GLY  43   2.918  15.832  -8.738
  335   1HA   GLY  43          1HA       GLY  43   0.829  15.900 -10.229
  336   2HA   GLY  43          2HA       GLY  43   1.464  17.459 -10.718
  337    H    HIS  44           HN       HIS  44   4.239  17.018 -10.801
  338    HA   HIS  44           HA       HIS  44   4.364  15.097 -12.996
  339   1HB   HIS  44          2HB       HIS  44   6.090  16.380 -13.928
  340   2HB   HIS  44          3HB       HIS  44   4.905  17.544 -13.370
  341    HD1  HIS  44           HD1      HIS  44   5.679  19.306 -11.718
  342    HD2  HIS  44           HD2      HIS  44   8.448  16.191 -12.196
  343    HE1  HIS  44           HE1      HIS  44   7.789  20.027 -10.475
  344    H    GLN  45           HN       GLN  45   6.843  14.257 -13.208
  345    HA   GLN  45           HA       GLN  45   7.617  13.415 -10.527
  346   1HB   GLN  45          2HB       GLN  45   8.105  11.163 -11.391
  347   2HB   GLN  45          3HB       GLN  45   6.421  11.568 -11.664
  348   1HG   GLN  45          2HG       GLN  45   7.540  12.512 -13.996
  349   2HG   GLN  45          3HG       GLN  45   8.625  11.181 -13.643
  350   1HE2  GLN  45          2HE2      GLN  45   6.486   8.902 -15.107
  351   2HE2  GLN  45          1HE2      GLN  45   8.073   9.560 -14.889
  352    H    MET  46           HN       MET  46   9.946  12.780 -10.342
  353    HA   MET  46           HA       MET  46  11.597  14.669 -11.357
  354   1HB   MET  46          2HB       MET  46  12.119  13.151  -9.438
  355   2HB   MET  46          3HB       MET  46  12.224  11.781 -10.526
  356   1HG   MET  46          2HG       MET  46  14.124  12.970 -11.740
  357   2HG   MET  46          3HG       MET  46  14.068  14.219 -10.512
  358   1HE   MET  46          2HE       MET  46  14.647  10.637 -11.445
  359   2HE   MET  46          3HE       MET  46  16.261  11.388 -11.418
  360   3HE   MET  46          1HE       MET  46  15.867  10.084 -10.273
  361    H    LYS  47           HN       LYS  47  10.859  11.397 -12.683
  362    HA   LYS  47           HA       LYS  47  12.793  11.356 -14.666
  363   1HB   LYS  47          2HB       LYS  47  11.553   9.384 -14.018
  364   2HB   LYS  47          3HB       LYS  47  10.040  10.097 -14.537
  365   1HG   LYS  47          2HG       LYS  47  10.737  10.090 -16.870
  366   2HG   LYS  47          3HG       LYS  47  12.384   9.673 -16.441
  367   1HD   LYS  47          2HD       LYS  47  11.562   7.573 -17.048
  368   2HD   LYS  47          3HD       LYS  47  11.272   7.541 -15.320
  369   1HE   LYS  47          2HE       LYS  47   9.067   7.205 -15.730
  370   2HE   LYS  47          3HE       LYS  47   8.981   8.805 -16.441
  371   1HZ   LYS  47          1HZ       LYS  47   8.986   6.271 -17.769
  372   2HZ   LYS  47          2HZ       LYS  47   8.544   7.725 -18.354
  373    H    ASP  48           HN       ASP  48   9.578  12.932 -14.516
  374    HA   ASP  48           HA       ASP  48  10.173  14.032 -17.149
  375   1HB   ASP  48          2HB       ASP  48   7.877  12.705 -16.249
  376   2HB   ASP  48          3HB       ASP  48   7.424  14.391 -16.108
  377    HD2  ASP  48           HD2      ASP  48   6.019  14.416 -17.968
  378    H    CYS  49           HN       CYS  49  11.295  15.022 -14.622
  379    HA   CYS  49           HA       CYS  49   9.863  16.978 -13.369
  380   1HB   CYS  49          2HB       CYS  49  12.103  16.132 -12.678
  381   2HB   CYS  49          3HB       CYS  49  12.835  17.045 -13.982
  382    H    THR  50           HN       THR  50   8.762  18.667 -14.304
  383    HA   THR  50           HA       THR  50   9.659  19.684 -16.867
  384    HB   THR  50           HB       THR  50   7.244  19.147 -16.349
  385    HG1  THR  50           HG1      THR  50   8.138  20.956 -17.799
  386   1HG2  THR  50          2HG2      THR  50   7.658  21.452 -14.382
  387   2HG2  THR  50          3HG2      THR  50   6.056  21.015 -15.023
  388   3HG2  THR  50          1HG2      THR  50   6.970  19.847 -14.038
  389    H    GLU  51           HN       GLU  51  10.785  20.145 -13.843
  390    HA   GLU  51           HA       GLU  51  10.755  23.006 -13.875
  391   1HB   GLU  51          2HB       GLU  51  10.647  21.648 -11.755
  392   2HB   GLU  51          3HB       GLU  51  12.280  21.089 -12.057
  393   1HG   GLU  51          2HG       GLU  51  12.408  23.915 -12.321
  394   2HG   GLU  51          3HG       GLU  51  11.383  23.635 -10.928
  395    HE2  GLU  51           HE2      GLU  51  12.776  24.100  -9.433
  396    H    ARG  52           HN       ARG  52  13.350  20.447 -13.900
  397    HA   ARG  52           HA       ARG  52  15.372  20.449 -14.667
  398   1HB   ARG  52          2HB       ARG  52  14.021  22.120 -16.832
  399   2HB   ARG  52          3HB       ARG  52  15.699  21.634 -16.971
  400   1HG   ARG  52          2HG       ARG  52  14.364  19.257 -16.244
  401   2HG   ARG  52          3HG       ARG  52  13.258  20.037 -17.358
  402   1HD   ARG  52          2HD       ARG  52  14.559  19.429 -19.116
  403   2HD   ARG  52          3HD       ARG  52  15.916  20.312 -18.445
  404    HE   ARG  52           HE       ARG  52  15.393  17.419 -18.171
  405   1HH1  ARG  52          2HH2      ARG  52  17.295  20.194 -17.057
  406   2HH1  ARG  52          1HH2      ARG  52  18.566  19.216 -16.400
  407    HH2  ARG  52           HH1      ARG  52  18.411  16.830 -16.557
  408    H    GLN  53           HN       GLN  53  16.664  21.525 -13.143
  409    HA   GLN  53           HA       GLN  53  17.752  23.976 -13.916
  410   1HB   GLN  53          2HB       GLN  53  15.371  24.174 -12.310
  411   2HB   GLN  53          3HB       GLN  53  16.725  24.661 -11.310
  412   1HG   GLN  53          2HG       GLN  53  17.259  25.890 -13.786
  413   2HG   GLN  53          3HG       GLN  53  15.520  26.036 -13.623
  414   1HE2  GLN  53          2HE2      GLN  53  15.879  28.874 -11.684
  415   2HE2  GLN  53          1HE2      GLN  53  15.182  28.056 -13.042
  416    H    ALA  54           HN       ALA  54  16.958  21.998 -10.969
  417    HA   ALA  54           HA       ALA  54  18.291  20.893  -9.575
  418   1HB   ALA  54          3HB       ALA  54  19.883  21.109 -11.939
  419   2HB   ALA  54          1HB       ALA  54  20.940  21.444 -10.547
  420   3HB   ALA  54          2HB       ALA  54  20.023  19.921 -10.620
  421    H    ASN  55           HN       ASN  55  20.158  23.804 -10.716
  422    HA   ASN  55           HA       ASN  55  20.919  25.537  -9.661
  423   1HB   ASN  55          2HB       ASN  55  18.618  25.979  -8.904
  424   2HB   ASN  55          3HB       ASN  55  18.772  24.817  -7.601
  425   1HD2  ASN  55          2HD2      ASN  55  19.240  27.809  -5.735
  426   2HD2  ASN  55          1HD2      ASN  55  18.061  26.700  -6.353
  427   1H5*    G 201          1H5*        G 201  -0.586 -18.854  -4.129
  428   2H5*    G 201          2H5*        G 201   0.538 -17.719  -3.383
  429    H4*    G 201           H4*        G 201   0.564 -20.142  -2.573
  430    H3*    G 201           H3*        G 201   3.209 -18.953  -3.499
  431   1H2*    G 201          1H2*        G 201   4.144 -20.627  -2.179
  432   2HO*    G 201          2HO*        G 201   1.555 -20.647  -0.915
  433    H1*    G 201           H1*        G 201   2.092 -22.529  -2.510
  434    H8     G 201           H8         G 201   3.510 -20.444  -5.392
  435    H1     G 201           H1         G 201   5.852 -26.457  -4.904
  436   1H2     G 201          1H2         G 201   5.079 -27.363  -3.220
  437   2H2     G 201          2H2         G 201   3.962 -26.606  -2.107
  438   1H5*    G 202          1H5*        G 202   3.179 -18.586   0.317
  439   2H5*    G 202          2H5*        G 202   3.910 -17.300   1.277
  440    H4*    G 202           H4*        G 202   5.217 -19.124   1.806
  441    H3*    G 202           H3*        G 202   6.602 -17.709  -0.486
  442   1H2*    G 202          1H2*        G 202   8.456 -19.122  -0.107
  443   2HO*    G 202          2HO*        G 202   7.557 -20.512   2.056
  444    H1*    G 202           H1*        G 202   6.888 -21.432   0.271
  445    H8     G 202           H8         G 202   6.164 -18.856  -2.466
  446    H1     G 202           H1         G 202   9.420 -24.107  -4.393
  447   1H2     G 202          1H2         G 202   9.840 -25.294  -2.760
  448   2H2     G 202          2H2         G 202   9.380 -24.922  -1.113
  449   1H5*    A 203          1H5*        A 203   9.458 -18.383   2.618
  450   2H5*    A 203          2H5*        A 203  10.221 -16.820   2.908
  451    H4*    A 203           H4*        A 203  11.935 -18.456   2.631
  452    H3*    A 203           H3*        A 203  11.674 -16.387   0.527
  453   1H2*    A 203          1H2*        A 203  13.063 -17.441  -0.997
  454   2HO*    A 203          2HO*        A 203  14.651 -17.632   0.710
  455    H1*    A 203           H1*        A 203  12.390 -20.119  -0.155
  456    H8     A 203           H8         A 203   9.755 -17.591  -1.223
  457   1H6     A 203          1H6         A 203   9.953 -20.402  -6.792
  458   2H6     A 203          2H6         A 203   9.127 -19.183  -5.847
  459    H2     A 203           H2         A 203  13.128 -22.165  -4.231
  460   1H5*    C 204          1H5*        C 204  16.167 -16.400   1.138
  461   2H5*    C 204          2H5*        C 204  16.642 -14.827   0.496
  462    H4*    C 204           H4*        C 204  17.398 -16.892  -0.782
  463    H3*    C 204           H3*        C 204  16.008 -14.560  -2.093
  464   1H2*    C 204          1H2*        C 204  16.164 -15.601  -4.156
  465   2HO*    C 204          2HO*        C 204  17.935 -17.153  -4.408
  466    H1*    C 204           H1*        C 204  16.074 -18.286  -3.079
  467   1H4     C 204          1H4         C 204  10.544 -17.763  -6.199
  468   2H4     C 204          2H4         C 204   9.983 -16.588  -5.030
  469    H5     C 204           H5         C 204  11.310 -15.749  -3.266
  470    H6     C 204           H6         C 204  13.524 -15.832  -2.178
  471   1H5*    U 205          1H5*        U 205  20.085 -14.726  -3.338
  472   2H5*    U 205          2H5*        U 205  20.890 -13.261  -3.900
  473    H4*    U 205           H4*        U 205  20.725 -14.802  -5.724
  474    H3*    U 205           H3*        U 205  18.894 -12.414  -5.955
  475   1H2*    U 205          1H2*        U 205  18.217 -13.142  -8.062
  476   2HO*    U 205          2HO*        U 205  19.827 -13.980  -9.279
  477    H1*    U 205           H1*        U 205  18.431 -15.939  -7.381
  478    H3     U 205           H3         U 205  14.104 -15.787  -8.644
  479    H5     U 205           H5         U 205  14.190 -13.391  -5.210
  480    H6     U 205           H6         U 205  16.629 -13.651  -5.209
  481   1H5*    A 206          1H5*        A 206  21.227 -12.203  -8.872
  482   2H5*    A 206          2H5*        A 206  22.059 -10.808  -9.558
  483    H4*    A 206           H4*        A 206  20.479 -11.291 -11.167
  484    H3*    A 206           H3*        A 206  19.079  -9.281  -9.365
  485   1H2*    A 206          1H2*        A 206  17.526  -9.095 -11.080
  486   2HO*    A 206          2HO*        A 206  18.603 -10.118 -13.224
  487    H1*    A 206           H1*        A 206  17.893 -11.775 -12.054
  488    H8     A 206           H8         A 206  17.157 -11.024  -8.394
  489   1H6     A 206          1H6         A 206  11.218 -12.346  -9.784
  490   2H6     A 206          2H6         A 206  12.315 -11.958  -8.478
  491    H2     A 206           H2         A 206  13.575 -12.414 -13.550
  492   1H5*    G 207          1H5*        G 207  20.122  -7.677 -12.713
  493   2H5*    G 207          2H5*        G 207  20.130  -5.970 -13.156
  494    H4*    G 207           H4*        G 207  18.159  -7.066 -14.033
  495    H3*    G 207           H3*        G 207  17.430  -5.210 -11.734
  496   1H2*    G 207          1H2*        G 207  15.275  -5.420 -12.515
  497   2HO*    G 207          2HO*        G 207  16.532  -5.962 -15.050
  498    H1*    G 207           H1*        G 207  15.710  -7.891 -13.966
  499    H8     G 207           H8         G 207  16.374  -7.583 -10.238
  500    H1     G 207           H1         G 207  10.529  -9.898 -11.773
  501   1H2     G 207          1H2         G 207  10.257  -9.781 -13.814
  502   2H2     G 207          2H2         G 207  11.436  -9.149 -14.942
  503   1H5*    C 208          1H5*        C 208  18.092  -2.035 -15.249
  504   2H5*    C 208          2H5*        C 208  17.602  -0.472 -14.596
  505    H4*    C 208           H4*        C 208  16.042  -1.483 -16.279
  506    H3*    C 208           H3*        C 208  15.164  -0.543 -13.583
  507   1H2*    C 208          1H2*        C 208  12.959  -1.270 -13.924
  508   2HO*    C 208          2HO*        C 208  13.111  -0.393 -16.122
  509    H1*    C 208           H1*        C 208  13.772  -3.691 -15.223
  510   1H4     C 208          1H4         C 208  11.954  -5.698  -9.460
  511   2H4     C 208          2H4         C 208  13.306  -4.867  -8.725
  512    H5     C 208           H5         C 208  14.821  -3.505  -9.920
  513    H6     C 208           H6         C 208  15.418  -2.598 -12.138
  514   1H5*    G 209          1H5*        G 209  12.773   1.559 -15.920
  515   2H5*    G 209          2H5*        G 209  12.390   3.230 -15.508
  516    H4*    G 209           H4*        G 209  10.508   1.685 -15.138
  517    H3*    G 209           H3*        G 209  11.637   3.142 -12.743
  518   1H2*    G 209          1H2*        G 209   9.966   2.228 -11.425
  519   2HO*    G 209          2HO*        G 209   8.638   1.748 -13.936
  520    H1*    G 209           H1*        G 209   9.688  -0.179 -12.997
  521    H8     G 209           H8         G 209  13.022   0.936 -11.542
  522    H1     G 209           H1         G 209   9.771  -3.345  -7.937
  523   1H2     G 209          1H2         G 209   7.908  -3.666  -8.761
  524   2H2     G 209          2H2         G 209   7.315  -2.890 -10.213
  525   1H5*    G 210          1H5*        G 210  10.755   7.042 -11.674
  526   2H5*    G 210          2H5*        G 210  10.714   5.283 -11.785
  527    H4*    G 210           H4*        G 210   8.511   5.184 -11.404
  528    H3*    G 210           H3*        G 210   8.300   6.962 -13.638
  529   1H2*    G 210          1H2*        G 210   7.409   8.786 -12.606
  530   2HO*    G 210          2HO*        G 210   5.346   7.719 -11.306
  531    H1*    G 210           H1*        G 210   6.922   7.681  -9.933
  532    H8     G 210           H8         G 210  10.121   8.917 -11.665
  533    H1     G 210           H1         G 210   7.893  12.672  -6.887
  534   1H2     G 210          1H2         G 210   6.138  11.880  -6.150
  535   2H2     G 210          2H2         G 210   5.382  10.415  -6.738
  536   1H5*    A 211          1H5*        A 211   8.135   3.594 -10.281
  537   2H5*    A 211          2H5*        A 211   7.890   1.962 -10.901
  538    H4*    A 211           H4*        A 211   6.795   2.081  -8.807
  539    H3*    A 211           H3*        A 211   5.041   1.921 -11.187
  540   1H2*    A 211          1H2*        A 211   3.683   3.428  -9.936
  541   2HO*    A 211          2HO*        A 211   2.690   1.396 -10.370
  542    H1*    A 211           H1*        A 211   4.380   1.918  -7.388
  543    H8     A 211           H8         A 211   4.586   5.513  -8.736
  544   1H6     A 211          1H6         A 211   1.386   7.068  -3.609
  545   2H6     A 211          2H6         A 211   2.142   7.700  -5.053
  546    H2     A 211           H2         A 211   1.978   2.664  -3.595
  547   1H5*    G 212          1H5*        G 212   3.249  -3.148 -10.031
  548   2H5*    G 212          2H5*        G 212   2.550  -2.776  -8.456
  549    H4*    G 212           H4*        G 212   5.280  -3.513  -9.177
  550    H3*    G 212           H3*        G 212   3.428  -3.929  -6.954
  551   1H2*    G 212          1H2*        G 212   4.713  -2.861  -5.401
  552   2HO*    G 212          2HO*        G 212   5.811  -4.661  -4.873
  553    H1*    G 212           H1*        G 212   7.114  -2.610  -7.190
  554    H8     G 212           H8         G 212   4.177  -0.522  -5.850
  555    H1     G 212           H1         G 212  10.056   2.063  -5.052
  556   1H2     G 212          1H2         G 212  11.476   0.810  -5.868
  557   2H2     G 212          2H2         G 212  11.126  -0.714  -6.652
  558   1H5*    G 213          1H5*        G 213   3.956  -4.953  -9.565
  559   2H5*    G 213          2H5*        G 213   2.216  -4.831  -9.304
  560    H4*    G 213           H4*        G 213   1.704  -6.049 -11.151
  561    H3*    G 213           H3*        G 213   3.802  -7.847 -10.312
  562   1H2*    G 213          1H2*        G 213   4.971  -8.116 -12.303
  563   2HO*    G 213          2HO*        G 213   3.076  -6.735 -13.856
  564    H1*    G 213           H1*        G 213   4.927  -5.536 -13.234
  565    H8     G 213           H8         G 213   5.162  -6.572  -9.539
  566    H1     G 213           H1         G 213  10.603  -4.239 -12.154
  567   1H2     G 213          1H2         G 213  10.272  -3.777 -14.136
  568   2H2     G 213          2H2         G 213   8.747  -3.990 -14.966
  569   1H5*    C 214          1H5*        C 214   2.015  -9.367 -13.535
  570   2H5*    C 214          2H5*        C 214   1.705 -11.084 -13.793
  571    H4*    C 214           H4*        C 214   3.285 -10.379 -15.422
  572    H3*    C 214           H3*        C 214   4.583 -12.008 -13.225
  573   1H2*    C 214          1H2*        C 214   6.533 -12.073 -14.531
  574   2HO*    C 214          2HO*        C 214   6.215 -12.120 -16.703
  575    H1*    C 214           H1*        C 214   6.462  -9.434 -15.376
  576   1H4     C 214          1H4         C 214   9.907  -8.886 -10.059
  577   2H4     C 214          2H4         C 214   8.545  -9.394  -9.086
  578    H5     C 214           H5         C 214   6.458 -10.043  -9.982
  579    H6     C 214           H6         C 214   5.151 -10.367 -12.051
  580   1H5*    U 215          1H5*        U 215   5.004 -13.796 -16.504
  581   2H5*    U 215          2H5*        U 215   5.171 -15.532 -16.775
  582    H4*    U 215           H4*        U 215   7.273 -14.367 -17.157
  583    H3*    U 215           H3*        U 215   7.330 -16.139 -14.688
  584   1H2*    U 215          1H2*        U 215   9.588 -15.754 -14.656
  585   2HO*    U 215          2HO*        U 215   9.293 -15.463 -17.507
  586    H1*    U 215           H1*        U 215   9.744 -13.396 -16.208
  587    H3     U 215           H3         U 215  11.264 -11.700 -12.339
  588    H5     U 215           H5         U 215   7.330 -12.784 -11.398
  589    H6     U 215           H6         U 215   7.165 -13.754 -13.644
  590   1H5*    A 216          1H5*        A 216   9.233 -17.838 -17.672
  591   2H5*    A 216          2H5*        A 216   9.574 -19.552 -17.905
  592    H4*    A 216           H4*        A 216  11.598 -18.301 -17.383
  593    H3*    A 216           H3*        A 216  10.677 -20.398 -15.445
  594   1H2*    A 216          1H2*        A 216  12.295 -19.830 -13.920
  595   2HO*    A 216          2HO*        A 216  14.329 -19.583 -14.777
  596    H1*    A 216           H1*        A 216  12.694 -17.127 -14.999
  597    H8     A 216           H8         A 216   9.445 -18.203 -13.383
  598   1H6     A 216          1H6         A 216  11.617 -15.522  -8.182
  599   2H6     A 216          2H6         A 216  10.218 -16.282  -8.907
  600    H2     A 216           H2         A 216  14.860 -15.496 -11.219
  601   1H5*    G 217          1H5*        G 217  14.364 -21.301 -16.356
  602   2H5*    G 217          2H5*        G 217  14.998 -22.939 -16.190
  603    H4*    G 217           H4*        G 217  15.806 -21.783 -14.326
  604    H3*    G 217           H3*        G 217  13.303 -23.212 -13.349
  605   1H2*    G 217          1H2*        G 217  14.241 -22.917 -11.222
  606   2HO*    G 217          2HO*        G 217  16.384 -23.286 -11.173
  607    H1*    G 217           H1*        G 217  15.464 -20.407 -11.989
  608    H8     G 217           H8         G 217  11.745 -21.094 -12.398
  609    H1     G 217           H1         G 217  13.357 -17.974  -6.962
  610   1H2     G 217          1H2         G 217  15.411 -17.884  -6.802
  611   2H2     G 217          2H2         G 217  16.530 -18.554  -7.968
  612   1H5*    U 218          1H5*        U 218  16.542 -25.486 -12.312
  613   2H5*    U 218          2H5*        U 218  16.393 -27.201 -11.934
  614    H4*    U 218           H4*        U 218  16.968 -26.126  -9.920
  615    H3*    U 218           H3*        U 218  13.986 -26.687  -9.932
  616   1H2*    U 218          1H2*        U 218  14.019 -26.204  -7.632
  617   2HO*    U 218          2HO*        U 218  16.382 -26.003  -6.786
  618    H1*    U 218           H1*        U 218  15.877 -24.076  -7.882
  619    H3     U 218           H3         U 218  12.322 -21.647  -6.608
  620    H5     U 218           H5         U 218  11.092 -23.239 -10.281
  621    H6     U 218           H6         U 218  13.188 -24.514 -10.318
  622   1H5*    C 219          1H5*        C 219  15.732 -28.893  -7.356
  623   2H5*    C 219          2H5*        C 219  15.471 -30.594  -6.970
  624    H4*    C 219           H4*        C 219  14.909 -29.626  -4.981
  625    H3*    C 219           H3*        C 219  12.332 -29.700  -6.564
  626   1H2*    C 219          1H2*        C 219  11.213 -28.935  -4.643
  627   2HO*    C 219          2HO*        C 219  13.723 -29.509  -3.348
  628    H1*    C 219           H1*        C 219  13.197 -27.091  -3.896
  629   1H4     C 219          1H4         C 219   9.125 -23.391  -7.089
  630   2H4     C 219          2H4         C 219   9.464 -24.251  -8.573
  631    H5     C 219           H5         C 219  10.901 -26.121  -8.712
  632    H6     C 219           H6         C 219  12.380 -27.641  -7.446
  633   1H5*    C 220          1H5*        C 220  11.731 -32.288  -3.541
  634   2H5*    C 220          2H5*        C 220  11.097 -33.907  -3.836
  635    H4*    C 220           H4*        C 220   9.471 -33.036  -2.481
  636    H3*    C 220           H3*        C 220   8.627 -32.473  -5.319
  637   1H2*    C 220          1H2*        C 220   6.608 -31.548  -4.513
  638   2HO*    C 220          2HO*        C 220   6.054 -32.001  -2.303
  639    H1*    C 220           H1*        C 220   7.812 -30.048  -2.491
  640   1H4     C 220          1H4         C 220   7.649 -25.817  -7.235
  641   2H4     C 220          2H4         C 220   8.741 -26.798  -8.187
  642    H5     C 220           H5         C 220   9.559 -28.904  -7.499
  643    H6     C 220           H6         C 220   9.530 -30.605  -5.709
   
  No H/Q in entry =         643
  Start of MODEL    6
    1    H    MET   1           HN       MET   1   5.033 -11.684   6.871
    2    HA   MET   1           HA       MET   1   6.377  -9.288   6.771
    3   1HB   MET   1          2HB       MET   1   7.929 -11.724   5.883
    4   2HB   MET   1          3HB       MET   1   8.054 -10.305   4.862
    5   1HG   MET   1          2HG       MET   1   9.715  -9.667   6.305
    6   2HG   MET   1          3HG       MET   1   8.400  -9.160   7.347
    7   1HE   MET   1          3HE       MET   1  10.602  -9.405   8.902
    8   2HE   MET   1          1HE       MET   1   9.117  -9.674   9.846
    9   3HE   MET   1          2HE       MET   1  10.521 -10.747  10.069
   10    H    GLN   2           HN       GLN   2   6.066 -12.088   4.458
   11    HA   GLN   2           HA       GLN   2   4.990 -12.318   2.588
   12   1HB   GLN   2          2HB       GLN   2   3.097 -10.286   3.841
   13   2HB   GLN   2          3HB       GLN   2   2.746 -11.112   2.337
   14   1HG   GLN   2          2HG       GLN   2   3.535 -12.745   4.762
   15   2HG   GLN   2          3HG       GLN   2   1.903 -12.113   4.656
   16   1HE2  GLN   2          2HE2      GLN   2   2.522 -15.566   3.021
   17   2HE2  GLN   2          1HE2      GLN   2   3.193 -14.849   4.447
   18    H    LYS   3           HN       LYS   3   4.705 -11.407   0.411
   19    HA   LYS   3           HA       LYS   3   4.986  -9.908  -1.215
   20   1HB   LYS   3          2HB       LYS   3   4.206  -8.240   0.732
   21   2HB   LYS   3          3HB       LYS   3   5.856  -7.674   0.563
   22   1HG   LYS   3          2HG       LYS   3   5.396  -6.648  -1.414
   23   2HG   LYS   3          3HG       LYS   3   4.664  -8.098  -2.072
   24   1HD   LYS   3          2HD       LYS   3   3.104  -6.532  -0.016
   25   2HD   LYS   3          3HD       LYS   3   3.224  -5.872  -1.635
   26   1HE   LYS   3          2HE       LYS   3   1.609  -7.297  -2.341
   27   2HE   LYS   3          3HE       LYS   3   2.631  -8.662  -1.935
   28   1HZ   LYS   3          1HZ       LYS   3   0.443  -8.587  -0.733
   29   2HZ   LYS   3          2HZ       LYS   3   1.723  -8.703   0.267
   30    H    GLY   4           HN       GLY   4   6.777 -11.639  -1.309
   31   1HA   GLY   4          1HA       GLY   4   9.371 -11.139  -0.416
   32   2HA   GLY   4          2HA       GLY   4   8.914 -12.150  -1.772
   33    H    ASN   5           HN       ASN   5   7.488  -9.684  -3.028
   34    HA   ASN   5           HA       ASN   5   9.518  -9.003  -4.738
   35   1HB   ASN   5          2HB       ASN   5   6.817  -8.603  -4.695
   36   2HB   ASN   5          3HB       ASN   5   7.328  -6.990  -4.240
   37   1HD2  ASN   5          2HD2      ASN   5   7.357  -6.344  -7.685
   38   2HD2  ASN   5          1HD2      ASN   5   6.528  -6.168  -6.174
   39    H    PHE   6           HN       PHE   6   8.521  -7.723  -1.580
   40    HA   PHE   6           HA       PHE   6   9.609  -5.173  -1.727
   41   1HB   PHE   6          2HB       PHE   6   8.135  -5.885   0.097
   42   2HB   PHE   6          3HB       PHE   6   9.150  -7.265   0.467
   43    HD1  PHE   6           HD1      PHE   6   9.020  -3.564   0.610
   44    HD2  PHE   6           HD2      PHE   6  10.890  -7.095   2.044
   45    HE1  PHE   6           HE1      PHE   6  10.203  -2.223   2.371
   46    HE2  PHE   6           HE2      PHE   6  12.072  -5.753   3.805
   47    HZ   PHE   6           HZ       PHE   6  11.716  -3.333   3.947
   48    H    ARG   7           HN       ARG   7  11.165  -8.262  -1.769
   49    HA   ARG   7           HA       ARG   7  13.436  -7.710  -0.324
   50   1HB   ARG   7          2HB       ARG   7  12.812  -9.547  -2.660
   51   2HB   ARG   7          3HB       ARG   7  14.460  -9.432  -2.076
   52   1HG   ARG   7          2HG       ARG   7  13.734 -10.075   0.205
   53   2HG   ARG   7          3HG       ARG   7  12.057 -10.092  -0.307
   54   1HD   ARG   7          2HD       ARG   7  12.248 -12.190  -1.177
   55   2HD   ARG   7          3HD       ARG   7  13.687 -11.764  -2.081
   56    HE   ARG   7           HE       ARG   7  14.885 -12.923  -0.459
   57   1HH1  ARG   7          2HH2      ARG   7  12.068 -11.456   1.113
   58   2HH1  ARG   7          1HH2      ARG   7  12.477 -12.059   2.685
   59    HH2  ARG   7           HH1      ARG   7  14.453 -13.386   2.956
   60    H    ASN   8           HN       ASN   8  12.266  -6.264  -3.206
   61    HA   ASN   8           HA       ASN   8  14.502  -5.918  -4.719
   62   1HB   ASN   8          2HB       ASN   8  13.351  -3.723  -5.434
   63   2HB   ASN   8          3HB       ASN   8  12.371  -5.169  -5.577
   64   1HD2  ASN   8          2HD2      ASN   8  10.792  -2.151  -3.711
   65   2HD2  ASN   8          1HD2      ASN   8  11.898  -2.197  -5.045
   66    H    GLN   9           HN       GLN   9  13.746  -4.752  -1.530
   67    HA   GLN   9           HA       GLN   9  14.994  -2.303  -1.513
   68   1HB   GLN   9          2HB       GLN   9  14.314  -4.382   0.547
   69   2HB   GLN   9          3HB       GLN   9  15.431  -3.120   1.027
   70   1HG   GLN   9          2HG       GLN   9  13.340  -1.793  -0.387
   71   2HG   GLN   9          3HG       GLN   9  12.542  -2.963   0.645
   72   1HE2  GLN   9          2HE2      GLN   9  15.111  -0.250   2.462
   73   2HE2  GLN   9          1HE2      GLN   9  15.510  -1.016   0.961
   74    H    ARG  10           HN       ARG  10  16.326  -5.437  -2.016
   75    HA   ARG  10           HA       ARG  10  18.748  -5.194  -0.734
   76   1HB   ARG  10          2HB       ARG  10  19.506  -6.983  -2.237
   77   2HB   ARG  10          3HB       ARG  10  17.841  -7.294  -1.786
   78   1HG   ARG  10          2HG       ARG  10  17.161  -6.068  -3.958
   79   2HG   ARG  10          3HG       ARG  10  18.853  -6.126  -4.414
   80   1HD   ARG  10          2HD       ARG  10  18.337  -8.164  -5.322
   81   2HD   ARG  10          3HD       ARG  10  18.427  -8.756  -3.675
   82    HE   ARG  10           HE       ARG  10  15.801  -7.646  -4.368
   83   1HH1  ARG  10          2HH2      ARG  10  17.812 -10.564  -4.395
   84   2HH1  ARG  10          1HH2      ARG  10  16.460 -11.644  -4.457
   85    HH2  ARG  10           HH1      ARG  10  14.239 -10.745  -4.487
   86    H    LYS  11           HN       LYS  11  17.435  -3.365  -3.322
   87    HA   LYS  11           HA       LYS  11  20.133  -2.511  -4.115
   88   1HB   LYS  11          2HB       LYS  11  19.033  -3.732  -5.931
   89   2HB   LYS  11          3HB       LYS  11  17.638  -2.678  -5.831
   90   1HG   LYS  11          2HG       LYS  11  18.833  -0.794  -6.653
   91   2HG   LYS  11          3HG       LYS  11  20.393  -1.479  -6.243
   92   1HD   LYS  11          2HD       LYS  11  20.570  -2.472  -8.277
   93   2HD   LYS  11          3HD       LYS  11  19.018  -3.263  -8.087
   94   1HE   LYS  11          2HE       LYS  11  18.851  -1.840 -10.039
   95   2HE   LYS  11          3HE       LYS  11  17.890  -1.092  -8.779
   96   1HZ   LYS  11          1HZ       LYS  11  20.582  -0.175  -8.651
   97   2HZ   LYS  11          2HZ       LYS  11  19.982   0.083 -10.142
   98    H    THR  12           HN       THR  12  18.757  -1.548  -1.799
   99    HA   THR  12           HA       THR  12  17.761   0.285  -0.921
  100    HB   THR  12           HB       THR  12  20.310   0.682  -1.472
  101    HG1  THR  12           HG1      THR  12  18.202   2.664  -1.026
  102   1HG2  THR  12          1HG2      THR  12  19.158   1.725  -3.861
  103   2HG2  THR  12          2HG2      THR  12  19.580   3.146  -2.875
  104   3HG2  THR  12          3HG2      THR  12  20.831   1.953  -3.299
  105    H    VAL  13           HN       VAL  13  16.017  -0.626  -2.807
  106    HA   VAL  13           HA       VAL  13  15.325   0.824  -4.937
  107    HB   VAL  13           HB       VAL  13  12.944   0.366  -4.264
  108   1HG1  VAL  13          3HG1      VAL  13  15.136  -1.574  -4.623
  109   2HG1  VAL  13          1HG1      VAL  13  13.656  -2.260  -3.909
  110   3HG1  VAL  13          2HG1      VAL  13  13.581  -1.421  -5.478
  111   1HG2  VAL  13          2HG2      VAL  13  14.336  -0.472  -1.725
  112   2HG2  VAL  13          3HG2      VAL  13  12.861   0.502  -1.937
  113   3HG2  VAL  13          1HG2      VAL  13  12.819  -1.252  -2.233
  114    H    LYS  14           HN       LYS  14  13.828   2.648  -5.324
  115    HA   LYS  14           HA       LYS  14  14.171   4.671  -3.226
  116   1HB   LYS  14          2HB       LYS  14  14.456   6.274  -4.849
  117   2HB   LYS  14          3HB       LYS  14  15.214   4.891  -5.611
  118   1HG   LYS  14          2HG       LYS  14  12.690   4.483  -6.502
  119   2HG   LYS  14          3HG       LYS  14  12.587   6.214  -6.252
  120   1HD   LYS  14          2HD       LYS  14  15.103   5.648  -7.560
  121   2HD   LYS  14          3HD       LYS  14  13.838   4.802  -8.429
  122   1HE   LYS  14          2HE       LYS  14  12.977   6.740  -9.269
  123   2HE   LYS  14          3HE       LYS  14  12.982   7.517  -7.698
  124   1HZ   LYS  14          1HZ       LYS  14  15.646   7.291  -8.525
  125   2HZ   LYS  14          2HZ       LYS  14  14.818   7.886  -9.795
  126    H    CYS  15           HN       CYS  15  12.396   5.706  -2.364
  127    HA   CYS  15           HA       CYS  15   9.897   4.429  -2.798
  128   1HB   CYS  15          2HB       CYS  15  10.592   5.216  -0.570
  129   2HB   CYS  15          3HB       CYS  15  10.594   6.874  -1.137
  130    H    PHE  16           HN       PHE  16   8.664   4.880  -4.593
  131    HA   PHE  16           HA       PHE  16   9.089   7.288  -6.061
  132   1HB   PHE  16          2HB       PHE  16   7.075   4.965  -6.142
  133   2HB   PHE  16          3HB       PHE  16   7.089   6.230  -7.355
  134    HD1  PHE  16           HD1      PHE  16   9.788   6.649  -8.094
  135    HD2  PHE  16           HD2      PHE  16   7.931   3.002  -6.972
  136    HE1  PHE  16           HE1      PHE  16  11.505   5.371  -9.405
  137    HE2  PHE  16           HE2      PHE  16   9.648   1.724  -8.283
  138    HZ   PHE  16           HZ       PHE  16  11.414   2.924  -9.484
  139    H    ASN  17           HN       ASN  17   7.674   6.947  -3.148
  140    HA   ASN  17           HA       ASN  17   5.283   8.429  -3.812
  141   1HB   ASN  17          2HB       ASN  17   5.475   6.430  -2.086
  142   2HB   ASN  17          3HB       ASN  17   6.157   7.629  -1.006
  143   1HD2  ASN  17          2HD2      ASN  17   2.882   8.150   0.101
  144   2HD2  ASN  17          1HD2      ASN  17   4.448   7.477   0.414
  145    H    CYS  18           HN       CYS  18   8.058   8.528  -1.438
  146    HA   CYS  18           HA       CYS  18   7.666  11.395  -1.189
  147   1HB   CYS  18          2HB       CYS  18   9.219  11.235   0.715
  148   2HB   CYS  18          3HB       CYS  18   7.847  10.162   0.897
  149    H    GLY  19           HN       GLY  19  10.051   8.867  -2.163
  150   1HA   GLY  19          1HA       GLY  19  11.438   9.243  -4.056
  151   2HA   GLY  19          2HA       GLY  19  11.520  10.946  -3.653
  152    H    LYS  20           HN       LYS  20  11.738   8.397  -1.161
  153    HA   LYS  20           HA       LYS  20  14.564   9.127  -0.832
  154   1HB   LYS  20          2HB       LYS  20  12.406   9.322   0.983
  155   2HB   LYS  20          3HB       LYS  20  13.375   7.970   1.534
  156   1HG   LYS  20          2HG       LYS  20  15.434   9.422   1.383
  157   2HG   LYS  20          3HG       LYS  20  14.421  10.774   0.915
  158   1HD   LYS  20          2HD       LYS  20  13.194   9.733   3.249
  159   2HD   LYS  20          3HD       LYS  20  14.913   9.667   3.586
  160   1HE   LYS  20          2HE       LYS  20  14.489  12.186   2.327
  161   2HE   LYS  20          3HE       LYS  20  13.157  11.999   3.451
  162   1HZ   LYS  20          1HZ       LYS  20  15.033  12.969   4.593
  163   2HZ   LYS  20          2HZ       LYS  20  14.837  11.465   5.189
  164    H    GLU  21           HN       GLU  21  16.096   7.490  -0.648
  165    HA   GLU  21           HA       GLU  21  15.156   4.944  -1.572
  166   1HB   GLU  21          2HB       GLU  21  17.793   6.349  -1.372
  167   2HB   GLU  21          3HB       GLU  21  17.842   4.599  -1.292
  168   1HG   GLU  21          2HG       GLU  21  17.458   4.415  -3.521
  169   2HG   GLU  21          3HG       GLU  21  16.017   5.407  -3.409
  170    HE1  GLU  21           HE2      GLU  21  17.992   8.389  -3.717
  171    H    GLY  22           HN       GLY  22  15.267   2.973  -0.424
  172   1HA   GLY  22          1HA       GLY  22  16.295   1.798   1.466
  173   2HA   GLY  22          2HA       GLY  22  16.006   3.232   2.431
  174    H    HIS  23           HN       HIS  23  13.479   2.785   0.145
  175    HA   HIS  23           HA       HIS  23  11.961   0.818   1.378
  176   1HB   HIS  23          2HB       HIS  23  10.499   1.921   2.814
  177   2HB   HIS  23          3HB       HIS  23  12.074   2.553   3.250
  178    HD1  HIS  23           HD1      HIS  23  12.591   5.057   2.641
  179    HD2  HIS  23           HD2      HIS  23   8.706   3.790   1.692
  180    HE1  HIS  23           HE1      HIS  23  11.246   7.172   2.157
  181    H    ILE  24           HN       ILE  24   9.696   0.791   0.493
  182    HA   ILE  24           HA       ILE  24   9.627   2.320  -2.015
  183    HB   ILE  24           HB       ILE  24   8.597   0.512  -3.071
  184   1HG1  ILE  24          2HG1      ILE  24   8.307  -0.926  -0.420
  185   2HG1  ILE  24          3HG1      ILE  24   7.026   0.007  -1.168
  186   1HG2  ILE  24          2HG2      ILE  24  11.023  -0.003  -1.506
  187   2HG2  ILE  24          3HG2      ILE  24  10.177  -1.480  -2.026
  188   3HG2  ILE  24          1HG2      ILE  24  10.684  -0.273  -3.233
  189   1HD1  ILE  24          2HD1      ILE  24   8.455  -2.173  -2.726
  190   2HD1  ILE  24          3HD1      ILE  24   7.103  -2.557  -1.633
  191   3HD1  ILE  24          1HD1      ILE  24   6.846  -1.470  -3.020
  192    H    ALA  25           HN       ALA  25   7.438   2.944  -2.783
  193    HA   ALA  25           HA       ALA  25   6.055   4.380  -0.916
  194   1HB   ALA  25          2HB       ALA  25   5.952   4.598  -3.412
  195   2HB   ALA  25          3HB       ALA  25   4.934   3.138  -3.459
  196   3HB   ALA  25          1HB       ALA  25   4.350   4.605  -2.636
  197    H    LYS  26           HN       LYS  26   5.646   0.961  -1.926
  198    HA   LYS  26           HA       LYS  26   3.199   0.511  -0.687
  199   1HB   LYS  26          2HB       LYS  26   5.470  -1.453  -1.111
  200   2HB   LYS  26          3HB       LYS  26   3.784  -1.850  -0.849
  201   1HG   LYS  26          2HG       LYS  26   4.372   0.057  -3.093
  202   2HG   LYS  26          3HG       LYS  26   4.880  -1.602  -3.329
  203   1HD   LYS  26          2HD       LYS  26   2.067  -0.938  -2.378
  204   2HD   LYS  26          3HD       LYS  26   2.471  -0.940  -4.083
  205   1HE   LYS  26          2HE       LYS  26   3.208  -3.301  -3.945
  206   2HE   LYS  26          3HE       LYS  26   2.937  -3.313  -2.214
  207   1HZ   LYS  26          1HZ       LYS  26   1.082  -4.084  -3.945
  208   2HZ   LYS  26          2HZ       LYS  26   0.685  -3.435  -2.506
  209    H    ASN  27           HN       ASN  27   6.580   0.349   0.558
  210    HA   ASN  27           HA       ASN  27   5.548  -0.352   3.148
  211   1HB   ASN  27          2HB       ASN  27   8.344   0.003   1.981
  212   2HB   ASN  27          3HB       ASN  27   8.112  -0.178   3.708
  213   1HD2  ASN  27          2HD2      ASN  27   7.028  -3.288   1.170
  214   2HD2  ASN  27          1HD2      ASN  27   6.874  -1.630   0.694
  215    H    CYS  28           HN       CYS  28   5.698   2.426   1.369
  216    HA   CYS  28           HA       CYS  28   7.009   4.167   3.200
  217   1HB   CYS  28          2HB       CYS  28   6.900   4.615   0.761
  218   2HB   CYS  28          3HB       CYS  28   5.165   4.823   0.878
  219    H    ARG  29           HN       ARG  29   6.085   5.271   4.930
  220    HA   ARG  29           HA       ARG  29   3.527   4.423   5.739
  221   1HB   ARG  29          2HB       ARG  29   3.927   5.895   7.702
  222   2HB   ARG  29          3HB       ARG  29   5.344   4.922   7.362
  223   1HG   ARG  29          2HG       ARG  29   6.048   7.024   5.866
  224   2HG   ARG  29          3HG       ARG  29   4.918   7.880   6.898
  225   1HD   ARG  29          2HD       ARG  29   6.737   6.105   8.420
  226   2HD   ARG  29          3HD       ARG  29   7.595   7.332   7.509
  227    HE   ARG  29           HE       ARG  29   5.582   8.794   8.680
  228   1HH1  ARG  29          2HH2      ARG  29   7.932   6.495  10.001
  229   2HH1  ARG  29          1HH2      ARG  29   7.980   7.249  11.559
  230    HH2  ARG  29           HH1      ARG  29   6.627   9.185  11.969
  231    H    ALA  30           HN       ALA  30   4.858   7.175   3.967
  232    HA   ALA  30           HA       ALA  30   2.867   9.061   4.467
  233   1HB   ALA  30          1HB       ALA  30   4.621   8.589   2.022
  234   2HB   ALA  30          2HB       ALA  30   3.698  10.076   2.349
  235   3HB   ALA  30          3HB       ALA  30   5.024   9.593   3.435
  236    HA   PRO  31           HA       PRO  31  -0.483   7.609   2.152
  237   1HB   PRO  31          2HB       PRO  31  -1.740   9.922   1.418
  238   2HB   PRO  31          3HB       PRO  31  -1.888   9.215   3.015
  239   1HG   PRO  31          2HG       PRO  31  -0.324  11.578   2.172
  240   2HG   PRO  31          3HG       PRO  31  -0.826  11.112   3.785
  241   1HD   PRO  31          2HD       PRO  31   1.795  10.830   2.655
  242   2HD   PRO  31          3HD       PRO  31   1.263  10.259   4.224
  243    H    ARG  32           HN       ARG  32  -1.501   7.263   0.084
  244    HA   ARG  32           HA       ARG  32   0.406   7.161  -1.882
  245   1HB   ARG  32          2HB       ARG  32  -2.627   7.247  -2.281
  246   2HB   ARG  32          3HB       ARG  32  -1.463   6.551  -3.390
  247   1HG   ARG  32          2HG       ARG  32  -1.409   5.532  -0.563
  248   2HG   ARG  32          3HG       ARG  32  -2.791   5.074  -1.539
  249   1HD   ARG  32          2HD       ARG  32  -1.349   3.346  -2.122
  250   2HD   ARG  32          3HD       ARG  32  -0.899   4.502  -3.359
  251    HE   ARG  32           HE       ARG  32   1.216   4.567  -2.392
  252   1HH1  ARG  32          2HH2      ARG  32  -1.119   3.778   0.153
  253   2HH1  ARG  32          1HH2      ARG  32   0.088   3.633   1.387
  254    HH2  ARG  32           HH1      ARG  32   2.390   3.988   0.824
  255    H    LYS  33           HN       LYS  33   1.411   8.990  -2.704
  256    HA   LYS  33           HA       LYS  33  -0.364  11.058  -3.773
  257   1HB   LYS  33          2HB       LYS  33   1.131  11.419  -1.468
  258   2HB   LYS  33          3HB       LYS  33   2.165  12.096  -2.710
  259   1HG   LYS  33          2HG       LYS  33   0.682  13.802  -3.225
  260   2HG   LYS  33          3HG       LYS  33  -0.734  12.818  -2.910
  261   1HD   LYS  33          2HD       LYS  33  -0.836  14.233  -1.068
  262   2HD   LYS  33          3HD       LYS  33   0.120  12.935  -0.381
  263   1HE   LYS  33          2HE       LYS  33   1.788  14.413   0.035
  264   2HE   LYS  33          3HE       LYS  33   1.987  14.648  -1.690
  265   1HZ   LYS  33          1HZ       LYS  33   1.469  16.769  -0.886
  266   2HZ   LYS  33          2HZ       LYS  33   0.018  16.271  -1.432
  267    H    LYS  34           HN       LYS  34   1.339  12.659  -5.097
  268    HA   LYS  34           HA       LYS  34   3.274  11.020  -6.491
  269   1HB   LYS  34          2HB       LYS  34   2.285  11.505  -8.706
  270   2HB   LYS  34          3HB       LYS  34   1.283  10.457  -7.722
  271   1HG   LYS  34          2HG       LYS  34  -0.192  12.320  -7.117
  272   2HG   LYS  34          3HG       LYS  34   0.877  13.478  -7.885
  273   1HD   LYS  34          2HD       LYS  34   0.427  12.519 -10.101
  274   2HD   LYS  34          3HD       LYS  34  -0.485  11.200  -9.394
  275   1HE   LYS  34          2HE       LYS  34  -2.309  12.594  -8.803
  276   2HE   LYS  34          3HE       LYS  34  -1.336  14.052  -8.823
  277   1HZ   LYS  34          1HZ       LYS  34  -2.818  13.766 -10.804
  278   2HZ   LYS  34          2HZ       LYS  34  -1.254  13.972 -11.209
  279    H    GLY  35           HN       GLY  35   4.028  12.920  -4.792
  280   1HA   GLY  35          1HA       GLY  35   4.172  15.489  -6.170
  281   2HA   GLY  35          2HA       GLY  35   4.699  15.117  -4.540
  282    H    CYS  36           HN       CYS  36   5.914  16.155  -7.353
  283    HA   CYS  36           HA       CYS  36   7.949  14.376  -7.993
  284   1HB   CYS  36          2HB       CYS  36   7.391  16.086  -9.555
  285   2HB   CYS  36          3HB       CYS  36   7.654  17.363  -8.384
  286    H    TRP  37           HN       TRP  37   9.683  13.748  -6.754
  287    HA   TRP  37           HA       TRP  37  10.274  15.217  -4.350
  288   1HB   TRP  37          2HB       TRP  37  12.123  13.087  -4.966
  289   2HB   TRP  37          3HB       TRP  37  11.033  13.277  -3.606
  290    HD1  TRP  37           HD1      TRP  37   8.333  12.464  -4.226
  291    HE1  TRP  37           HE1      TRP  37   7.464  10.367  -5.572
  292    HE3  TRP  37           HE3      TRP  37  12.680  11.605  -6.722
  293    HZ2  TRP  37           HZ2      TRP  37   8.665   8.624  -7.486
  294    HZ3  TRP  37           HZ3      TRP  37  12.747   9.686  -8.310
  295    HH2  TRP  37           HH2      TRP  37  10.833   8.221  -8.711
  296    H    LYS  38           HN       LYS  38  10.633  16.724  -6.789
  297    HA   LYS  38           HA       LYS  38  13.534  17.099  -6.639
  298   1HB   LYS  38          2HB       LYS  38  12.277  15.978  -8.839
  299   2HB   LYS  38          3HB       LYS  38  12.391  17.670  -9.279
  300   1HG   LYS  38          2HG       LYS  38  14.824  16.402  -8.039
  301   2HG   LYS  38          3HG       LYS  38  14.425  15.936  -9.681
  302   1HD   LYS  38          2HD       LYS  38  15.670  17.800 -10.207
  303   2HD   LYS  38          3HD       LYS  38  14.146  18.624  -9.946
  304   1HE   LYS  38          2HE       LYS  38  15.007  18.629  -7.385
  305   2HE   LYS  38          3HE       LYS  38  16.573  18.508  -8.163
  306   1HZ   LYS  38          1HZ       LYS  38  14.708  20.522  -9.196
  307   2HZ   LYS  38          2HZ       LYS  38  15.440  20.838  -7.775
  308    H    CYS  39           HN       CYS  39  10.335  18.448  -7.678
  309    HA   CYS  39           HA       CYS  39  11.390  21.077  -6.937
  310   1HB   CYS  39          2HB       CYS  39   9.504  21.971  -8.350
  311   2HB   CYS  39          3HB       CYS  39  10.760  21.124  -9.231
  312    H    GLY  40           HN       GLY  40   8.870  18.590  -6.503
  313   1HA   GLY  40          1HA       GLY  40   7.763  18.300  -4.460
  314   2HA   GLY  40          2HA       GLY  40   7.953  20.005  -4.099
  315    H    LYS  41           HN       LYS  41   7.014  19.155  -7.384
  316    HA   LYS  41           HA       LYS  41   4.401  20.325  -6.857
  317   1HB   LYS  41          2HB       LYS  41   6.276  20.683  -8.880
  318   2HB   LYS  41          3HB       LYS  41   5.052  19.682  -9.636
  319   1HG   LYS  41          2HG       LYS  41   4.061  21.970  -7.961
  320   2HG   LYS  41          3HG       LYS  41   4.852  22.390  -9.467
  321   1HD   LYS  41          2HD       LYS  41   3.306  20.733 -10.649
  322   2HD   LYS  41          3HD       LYS  41   2.446  20.541  -9.134
  323   1HE   LYS  41          2HE       LYS  41   1.237  22.208 -10.387
  324   2HE   LYS  41          3HE       LYS  41   2.075  23.068  -9.111
  325   1HZ   LYS  41          1HZ       LYS  41   3.419  24.096 -10.614
  326   2HZ   LYS  41          2HZ       LYS  41   3.582  22.793 -11.578
  327    H    GLU  42           HN       GLU  42   2.576  19.127  -6.715
  328    HA   GLU  42           HA       GLU  42   2.869  16.302  -7.106
  329   1HB   GLU  42          2HB       GLU  42   0.698  16.129  -6.009
  330   2HB   GLU  42          3HB       GLU  42   1.702  17.245  -5.106
  331   1HG   GLU  42          2HG       GLU  42   0.576  19.103  -6.607
  332   2HG   GLU  42          3HG       GLU  42  -0.628  17.876  -6.944
  333    HE2  GLU  42           HE2      GLU  42  -0.960  19.987  -3.794
  334    H    GLY  43           HN       GLY  43   2.369  15.268  -8.987
  335   1HA   GLY  43          1HA       GLY  43   0.272  15.127 -10.486
  336   2HA   GLY  43          2HA       GLY  43   0.767  16.738 -10.968
  337    H    HIS  44           HN       HIS  44   3.553  16.588 -11.054
  338    HA   HIS  44           HA       HIS  44   3.888  14.677 -13.234
  339   1HB   HIS  44          2HB       HIS  44   5.515  16.116 -14.135
  340   2HB   HIS  44          3HB       HIS  44   4.195  17.151 -13.627
  341    HD1  HIS  44           HD1      HIS  44   4.714  18.982 -11.940
  342    HD2  HIS  44           HD2      HIS  44   7.840  16.219 -12.370
  343    HE1  HIS  44           HE1      HIS  44   6.699  19.944 -10.658
  344    H    GLN  45           HN       GLN  45   6.366  13.974 -13.435
  345    HA   GLN  45           HA       GLN  45   7.199  13.220 -10.742
  346   1HB   GLN  45          2HB       GLN  45   7.850  11.033 -11.559
  347   2HB   GLN  45          3HB       GLN  45   6.192  11.318 -12.049
  348   1HG   GLN  45          2HG       GLN  45   7.609  12.376 -14.196
  349   2HG   GLN  45          3HG       GLN  45   8.632  11.035 -13.717
  350   1HE2  GLN  45          2HE2      GLN  45   6.704   8.665 -15.310
  351   2HE2  GLN  45          1HE2      GLN  45   8.236   9.245 -14.745
  352    H    MET  46           HN       MET  46   9.592  12.730 -10.562
  353    HA   MET  46           HA       MET  46  11.081  14.818 -11.421
  354   1HB   MET  46          2HB       MET  46  11.589  12.998  -9.644
  355   2HB   MET  46          3HB       MET  46  12.145  11.980 -10.958
  356   1HG   MET  46          2HG       MET  46  13.364  14.633 -11.155
  357   2HG   MET  46          3HG       MET  46  13.647  13.954  -9.564
  358   1HE   MET  46          2HE       MET  46  14.834  11.962  -8.996
  359   2HE   MET  46          3HE       MET  46  13.919  10.774  -9.956
  360   3HE   MET  46          1HE       MET  46  15.692  10.846 -10.085
  361    H    LYS  47           HN       LYS  47  10.456  11.698 -13.065
  362    HA   LYS  47           HA       LYS  47  12.452  11.834 -14.979
  363   1HB   LYS  47          2HB       LYS  47  10.918   9.896 -14.408
  364   2HB   LYS  47          3HB       LYS  47   9.682  10.678 -15.373
  365   1HG   LYS  47          2HG       LYS  47  11.630  10.789 -17.206
  366   2HG   LYS  47          3HG       LYS  47  12.308   9.476 -16.265
  367   1HD   LYS  47          2HD       LYS  47   9.398   9.390 -17.125
  368   2HD   LYS  47          3HD       LYS  47  10.661   8.920 -18.244
  369   1HE   LYS  47          2HE       LYS  47  10.718   7.737 -15.467
  370   2HE   LYS  47          3HE       LYS  47   9.517   7.136 -16.593
  371   1HZ   LYS  47          1HZ       LYS  47  11.389   6.745 -18.185
  372   2HZ   LYS  47          2HZ       LYS  47  12.454   7.150 -17.022
  373    H    ASP  48           HN       ASP  48   9.181  13.329 -14.852
  374    HA   ASP  48           HA       ASP  48   9.900  14.724 -17.306
  375   1HB   ASP  48          2HB       ASP  48   7.675  13.266 -16.920
  376   2HB   ASP  48          3HB       ASP  48   7.108  14.737 -16.155
  377    HD2  ASP  48           HD2      ASP  48   7.550  13.184 -19.003
  378    H    CYS  49           HN       CYS  49  10.823  15.376 -14.533
  379    HA   CYS  49           HA       CYS  49   9.431  17.168 -13.126
  380   1HB   CYS  49          2HB       CYS  49  11.738  16.377 -12.616
  381   2HB   CYS  49          3HB       CYS  49  12.368  17.471 -13.832
  382    H    THR  50           HN       THR  50   8.206  18.888 -13.820
  383    HA   THR  50           HA       THR  50   8.905  20.219 -16.292
  384    HB   THR  50           HB       THR  50   6.547  19.536 -15.630
  385    HG1  THR  50           HG1      THR  50   5.805  21.849 -16.105
  386   1HG2  THR  50          3HG2      THR  50   7.231  20.935 -13.209
  387   2HG2  THR  50          1HG2      THR  50   6.006  21.911 -14.054
  388   3HG2  THR  50          2HG2      THR  50   5.661  20.215 -13.637
  389    H    GLU  51           HN       GLU  51  10.160  20.411 -13.259
  390    HA   GLU  51           HA       GLU  51  10.951  22.026 -11.983
  391   1HB   GLU  51          2HB       GLU  51  12.563  23.527 -13.235
  392   2HB   GLU  51          3HB       GLU  51  12.739  21.819 -13.582
  393   1HG   GLU  51          2HG       GLU  51  11.404  22.075 -15.661
  394   2HG   GLU  51          3HG       GLU  51  11.141  23.771 -15.305
  395    HE2  GLU  51           HE2      GLU  51  14.008  24.911 -15.393
  396    H    ARG  52           HN       ARG  52   8.550  22.726 -11.657
  397    HA   ARG  52           HA       ARG  52   8.531  25.510 -11.703
  398   1HB   ARG  52          2HB       ARG  52   7.537  24.329 -14.095
  399   2HB   ARG  52          3HB       ARG  52   6.107  24.799 -13.197
  400   1HG   ARG  52          2HG       ARG  52   7.161  27.105 -12.880
  401   2HG   ARG  52          3HG       ARG  52   8.447  26.605 -13.961
  402   1HD   ARG  52          2HD       ARG  52   6.188  25.913 -15.427
  403   2HD   ARG  52          3HD       ARG  52   5.636  27.349 -14.589
  404    HE   ARG  52           HE       ARG  52   7.588  27.257 -16.728
  405   1HH1  ARG  52          2HH2      ARG  52   6.741  29.042 -13.787
  406   2HH1  ARG  52          1HH2      ARG  52   7.516  30.502 -14.302
  407    HH2  ARG  52           HH1      ARG  52   8.609  30.564 -16.435
  408    H    GLN  53           HN       GLN  53   6.874  26.323 -10.277
  409    HA   GLN  53           HA       GLN  53   4.913  24.402  -9.387
  410   1HB   GLN  53          2HB       GLN  53   5.463  24.760  -7.001
  411   2HB   GLN  53          3HB       GLN  53   6.811  24.041  -7.859
  412   1HG   GLN  53          2HG       GLN  53   8.147  25.777  -7.281
  413   2HG   GLN  53          3HG       GLN  53   7.069  26.906  -8.077
  414   1HE2  GLN  53          2HE2      GLN  53   7.509  27.315  -4.245
  415   2HE2  GLN  53          1HE2      GLN  53   8.633  26.806  -5.462
  416    H    ALA  54           HN       ALA  54   3.916  26.206 -10.889
  417    HA   ALA  54           HA       ALA  54   2.855  28.237  -9.079
  418   1HB   ALA  54          2HB       ALA  54   4.423  28.672 -11.597
  419   2HB   ALA  54          3HB       ALA  54   3.026  29.733 -11.291
  420   3HB   ALA  54          1HB       ALA  54   4.356  29.650 -10.111
  421    H    ASN  55           HN       ASN  55   0.899  29.364 -10.271
  422    HA   ASN  55           HA       ASN  55  -0.525  27.200 -11.601
  423   1HB   ASN  55          2HB       ASN  55  -1.621  29.599 -10.041
  424   2HB   ASN  55          3HB       ASN  55  -2.607  28.352 -10.779
  425   1HD2  ASN  55          2HD2      ASN  55  -0.688  27.803  -7.202
  426   2HD2  ASN  55          1HD2      ASN  55  -0.490  29.214  -8.186
  427   1H5*    G 201          1H5*        G 201  -0.592 -17.998  -8.727
  428   2H5*    G 201          2H5*        G 201   0.509 -16.751  -8.141
  429    H4*    G 201           H4*        G 201  -0.871 -17.710  -6.352
  430    H3*    G 201           H3*        G 201   2.081 -17.752  -6.244
  431   1H2*    G 201          1H2*        G 201   2.205 -19.185  -4.376
  432   2HO*    G 201          2HO*        G 201   0.361 -18.065  -3.436
  433    H1*    G 201           H1*        G 201   0.333 -21.025  -5.342
  434    H8     G 201           H8         G 201   3.253 -19.173  -7.021
  435    H1     G 201           H1         G 201   3.833 -25.610  -6.688
  436   1H2     G 201          1H2         G 201   2.149 -26.408  -5.805
  437   2H2     G 201          2H2         G 201   0.783 -25.473  -5.239
  438   1H5*    G 202          1H5*        G 202   1.576 -17.271  -1.824
  439   2H5*    G 202          2H5*        G 202   2.806 -16.028  -1.595
  440    H4*    G 202           H4*        G 202   3.266 -18.146  -0.390
  441    H3*    G 202           H3*        G 202   5.235 -17.098  -2.410
  442   1H2*    G 202          1H2*        G 202   6.725 -18.841  -1.876
  443   2HO*    G 202          2HO*        G 202   5.849 -20.182   0.082
  444    H1*    G 202           H1*        G 202   4.719 -20.825  -1.769
  445    H8     G 202           H8         G 202   4.855 -18.158  -4.508
  446    H1     G 202           H1         G 202   7.357 -23.906  -6.114
  447   1H2     G 202          1H2         G 202   7.335 -25.151  -4.470
  448   2H2     G 202          2H2         G 202   6.728 -24.704  -2.892
  449   1H5*    A 203          1H5*        A 203   7.592 -18.799   1.258
  450   2H5*    A 203          2H5*        A 203   8.232 -17.221   1.714
  451    H4*    A 203           H4*        A 203  10.069 -18.678   1.743
  452    H3*    A 203           H3*        A 203  10.013 -16.800  -0.541
  453   1H2*    A 203          1H2*        A 203  11.711 -17.857  -1.747
  454   2HO*    A 203          2HO*        A 203  12.097 -19.311   0.711
  455    H1*    A 203           H1*        A 203  10.867 -20.502  -1.084
  456    H8     A 203           H8         A 203   8.450 -17.834  -2.349
  457   1H6     A 203          1H6         A 203   9.107 -20.546  -7.931
  458   2H6     A 203          2H6         A 203   8.246 -19.302  -7.052
  459    H2     A 203           H2         A 203  11.889 -22.527  -5.089
  460   1H5*    C 204          1H5*        C 204  14.160 -17.157   0.654
  461   2H5*    C 204          2H5*        C 204  14.982 -15.613   0.429
  462    H4*    C 204           H4*        C 204  16.055 -17.283  -0.917
  463    H3*    C 204           H3*        C 204  14.514 -15.197  -2.441
  464   1H2*    C 204          1H2*        C 204  15.225 -16.133  -4.478
  465   2HO*    C 204          2HO*        C 204  16.954 -17.674  -2.764
  466    H1*    C 204           H1*        C 204  14.889 -18.815  -3.575
  467   1H4     C 204          1H4         C 204   9.731 -17.906  -7.192
  468   2H4     C 204          2H4         C 204   9.117 -16.726  -6.056
  469    H5     C 204           H5         C 204  10.293 -16.012  -4.137
  470    H6     C 204           H6         C 204  12.368 -16.257  -2.821
  471   1H5*    U 205          1H5*        U 205  18.749 -15.023  -2.663
  472   2H5*    U 205          2H5*        U 205  19.706 -13.552  -2.831
  473    H4*    U 205           H4*        U 205  20.368 -14.874  -4.629
  474    H3*    U 205           H3*        U 205  18.544 -12.677  -5.390
  475   1H2*    U 205          1H2*        U 205  18.111 -13.472  -7.547
  476   2HO*    U 205          2HO*        U 205  19.610 -15.055  -8.404
  477    H1*    U 205           H1*        U 205  18.056 -16.228  -6.673
  478    H3     U 205           H3         U 205  13.974 -15.934  -8.570
  479    H5     U 205           H5         U 205  13.713 -13.326  -5.303
  480    H6     U 205           H6         U 205  16.106 -13.711  -4.932
  481   1H5*    A 206          1H5*        A 206  20.986 -12.625  -8.100
  482   2H5*    A 206          2H5*        A 206  21.782 -11.241  -8.849
  483    H4*    A 206           H4*        A 206  20.086 -12.083 -10.327
  484    H3*    A 206           H3*        A 206  19.158  -9.475  -9.062
  485   1H2*    A 206          1H2*        A 206  17.544  -9.485 -10.697
  486   2HO*    A 206          2HO*        A 206  19.368 -11.079 -12.247
  487    H1*    A 206           H1*        A 206  17.656 -12.303 -11.303
  488    H8     A 206           H8         A 206  16.997 -11.009  -7.786
  489   1H6     A 206          1H6         A 206  10.955 -11.907  -9.066
  490   2H6     A 206          2H6         A 206  12.087 -11.466  -7.807
  491    H2     A 206           H2         A 206  13.289 -12.685 -12.765
  492   1H5*    G 207          1H5*        G 207  20.219  -8.604 -12.713
  493   2H5*    G 207          2H5*        G 207  20.378  -6.931 -13.251
  494    H4*    G 207           H4*        G 207  18.270  -7.807 -13.990
  495    H3*    G 207           H3*        G 207  17.760  -5.923 -11.654
  496   1H2*    G 207          1H2*        G 207  15.618  -5.793 -12.545
  497   2HO*    G 207          2HO*        G 207  16.866  -6.713 -14.974
  498    H1*    G 207           H1*        G 207  15.719  -8.408 -13.762
  499    H8     G 207           H8         G 207  16.437  -7.868 -10.067
  500    H1     G 207           H1         G 207  10.333  -9.525 -11.440
  501   1H2     G 207          1H2         G 207  10.072  -9.557 -13.485
  502   2H2     G 207          2H2         G 207  11.320  -9.189 -14.654
  503   1H5*    C 208          1H5*        C 208  18.495  -2.577 -14.930
  504   2H5*    C 208          2H5*        C 208  18.090  -1.079 -14.091
  505    H4*    C 208           H4*        C 208  16.430  -2.170 -15.804
  506    H3*    C 208           H3*        C 208  15.796  -0.747 -13.246
  507   1H2*    C 208          1H2*        C 208  13.575  -1.345 -13.336
  508   2HO*    C 208          2HO*        C 208  13.689  -2.024 -16.077
  509    H1*    C 208           H1*        C 208  13.984  -3.743 -14.917
  510   1H4     C 208          1H4         C 208  11.899  -5.985  -9.329
  511   2H4     C 208          2H4         C 208  13.386  -5.479  -8.560
  512    H5     C 208           H5         C 208  15.093  -4.275  -9.660
  513    H6     C 208           H6         C 208  15.801  -3.249 -11.792
  514   1H5*    G 209          1H5*        G 209  11.603   1.765 -16.585
  515   2H5*    G 209          2H5*        G 209  12.429   2.897 -15.514
  516    H4*    G 209           H4*        G 209  10.522   0.917 -14.852
  517    H3*    G 209           H3*        G 209  12.213   2.455 -12.855
  518   1H2*    G 209          1H2*        G 209  10.348   2.002 -11.487
  519   2HO*    G 209          2HO*        G 209   8.362   1.306 -12.804
  520    H1*    G 209           H1*        G 209   9.828  -0.498 -12.767
  521    H8     G 209           H8         G 209  13.284   0.594 -11.554
  522    H1     G 209           H1         G 209  10.071  -3.348  -7.552
  523   1H2     G 209          1H2         G 209   8.178  -3.689  -8.294
  524   2H2     G 209          2H2         G 209   7.553  -3.008  -9.779
  525   1H5*    G 210          1H5*        G 210  10.934   7.043 -11.577
  526   2H5*    G 210          2H5*        G 210  11.104   5.302 -11.359
  527    H4*    G 210           H4*        G 210   8.868   4.943 -11.296
  528    H3*    G 210           H3*        G 210   8.725   6.575 -13.630
  529   1H2*    G 210          1H2*        G 210   7.641   8.399 -12.801
  530   2HO*    G 210          2HO*        G 210   5.496   7.857 -12.603
  531    H1*    G 210           H1*        G 210   7.010   7.414 -10.106
  532    H8     G 210           H8         G 210  10.181   8.865 -11.721
  533    H1     G 210           H1         G 210   7.395  12.559  -7.197
  534   1H2     G 210          1H2         G 210   5.691  11.631  -6.502
  535   2H2     G 210          2H2         G 210   5.102  10.081  -7.063
  536   1H5*    A 211          1H5*        A 211   8.443   3.340 -10.184
  537   2H5*    A 211          2H5*        A 211   8.462   1.706 -10.843
  538    H4*    A 211           H4*        A 211   7.191   1.386  -8.975
  539    H3*    A 211           H3*        A 211   5.477   1.746 -11.327
  540   1H2*    A 211          1H2*        A 211   4.135   3.166 -10.016
  541   2HO*    A 211          2HO*        A 211   3.419   0.672  -8.843
  542    H1*    A 211           H1*        A 211   4.821   1.516  -7.545
  543    H8     A 211           H8         A 211   5.047   5.177  -8.700
  544   1H6     A 211          1H6         A 211   1.923   6.482  -3.457
  545   2H6     A 211          2H6         A 211   2.668   7.185  -4.875
  546    H2     A 211           H2         A 211   2.468   2.078  -3.691
  547   1H5*    G 212          1H5*        G 212   3.384  -2.615  -8.762
  548   2H5*    G 212          2H5*        G 212   4.296  -1.112  -8.622
  549    H4*    G 212           H4*        G 212   5.895  -3.593  -8.917
  550    H3*    G 212           H3*        G 212   3.889  -3.460  -6.837
  551   1H2*    G 212          1H2*        G 212   5.189  -2.665  -5.149
  552   2HO*    G 212          2HO*        G 212   7.343  -4.346  -5.710
  553    H1*    G 212           H1*        G 212   7.732  -2.636  -6.712
  554    H8     G 212           H8         G 212   4.838  -0.529  -5.373
  555    H1     G 212           H1         G 212  10.646   2.321  -5.181
  556   1H2     G 212          1H2         G 212  12.040   1.106  -6.095
  557   2H2     G 212          2H2         G 212  11.686  -0.453  -6.808
  558   1H5*    G 213          1H5*        G 213   3.933  -4.507  -9.097
  559   2H5*    G 213          2H5*        G 213   2.204  -4.380  -8.775
  560    H4*    G 213           H4*        G 213   1.628  -5.467 -10.663
  561    H3*    G 213           H3*        G 213   3.619  -7.426  -9.881
  562   1H2*    G 213          1H2*        G 213   4.667  -7.775 -11.926
  563   2HO*    G 213          2HO*        G 213   2.593  -6.264 -13.193
  564    H1*    G 213           H1*        G 213   4.744  -5.190 -12.862
  565    H8     G 213           H8         G 213   5.125  -6.131  -9.157
  566    H1     G 213           H1         G 213  10.600  -4.543 -12.220
  567   1H2     G 213          1H2         G 213  10.190  -4.144 -14.202
  568   2H2     G 213          2H2         G 213   8.599  -4.229 -14.925
  569   1H5*    C 214          1H5*        C 214   1.867  -8.993 -13.329
  570   2H5*    C 214          2H5*        C 214   1.797 -10.755 -13.355
  571    H4*    C 214           H4*        C 214   3.283  -9.829 -15.082
  572    H3*    C 214           H3*        C 214   4.537 -11.571 -12.953
  573   1H2*    C 214          1H2*        C 214   6.540 -11.519 -14.153
  574   2HO*    C 214          2HO*        C 214   6.400 -11.116 -16.419
  575    H1*    C 214           H1*        C 214   6.404  -8.861 -14.980
  576   1H4     C 214          1H4         C 214   9.807  -8.323  -9.633
  577   2H4     C 214          2H4         C 214   8.441  -8.853  -8.676
  578    H5     C 214           H5         C 214   6.371  -9.521  -9.595
  579    H6     C 214           H6         C 214   5.088  -9.849 -11.679
  580   1H5*    U 215          1H5*        U 215   5.243 -13.275 -16.598
  581   2H5*    U 215          2H5*        U 215   5.342 -15.036 -16.630
  582    H4*    U 215           H4*        U 215   7.423 -13.877 -17.339
  583    H3*    U 215           H3*        U 215   7.352 -15.926 -15.195
  584   1H2*    U 215          1H2*        U 215   9.326 -15.291 -14.254
  585   2HO*    U 215          2HO*        U 215  10.264 -16.150 -16.187
  586    H1*    U 215           H1*        U 215   9.625 -12.783 -15.780
  587    H3     U 215           H3         U 215  11.144 -11.369 -11.768
  588    H5     U 215           H5         U 215   7.150 -12.372 -11.003
  589    H6     U 215           H6         U 215   7.037 -13.252 -13.289
  590   1H5*    A 216          1H5*        A 216  10.029 -16.757 -18.076
  591   2H5*    A 216          2H5*        A 216  10.370 -18.267 -18.920
  592    H4*    A 216           H4*        A 216  12.328 -17.939 -17.774
  593    H3*    A 216           H3*        A 216  10.561 -19.667 -16.054
  594   1H2*    A 216          1H2*        A 216  12.133 -19.658 -14.363
  595   2HO*    A 216          2HO*        A 216  14.094 -18.772 -16.252
  596    H1*    A 216           H1*        A 216  13.274 -17.088 -15.155
  597    H8     A 216           H8         A 216   9.649 -17.454 -14.107
  598   1H6     A 216          1H6         A 216  11.530 -15.579  -8.458
  599   2H6     A 216          2H6         A 216  10.127 -15.968  -9.429
  600    H2     A 216           H2         A 216  15.128 -16.151 -11.003
  601   1H5*    G 217          1H5*        G 217  14.062 -21.432 -16.782
  602   2H5*    G 217          2H5*        G 217  14.316 -23.176 -16.840
  603    H4*    G 217           H4*        G 217  15.485 -22.524 -14.949
  604    H3*    G 217           H3*        G 217  12.740 -23.435 -14.045
  605   1H2*    G 217          1H2*        G 217  13.518 -23.296 -11.836
  606   2HO*    G 217          2HO*        G 217  15.472 -24.403 -12.423
  607    H1*    G 217           H1*        G 217  15.103 -20.954 -12.417
  608    H8     G 217           H8         G 217  11.393 -21.186 -13.233
  609    H1     G 217           H1         G 217  12.775 -18.294  -7.610
  610   1H2     G 217          1H2         G 217  14.797 -18.450  -7.235
  611   2H2     G 217          2H2         G 217  15.946 -19.243  -8.287
  612   1H5*    U 218          1H5*        U 218  15.528 -26.397 -12.568
  613   2H5*    U 218          2H5*        U 218  14.863 -28.027 -12.680
  614    H4*    U 218           H4*        U 218  15.431 -27.763 -10.430
  615    H3*    U 218           H3*        U 218  12.501 -27.503 -10.922
  616   1H2*    U 218          1H2*        U 218  12.047 -26.926  -8.692
  617   2HO*    U 218          2HO*        U 218  14.806 -27.432  -8.105
  618    H1*    U 218           H1*        U 218  14.410 -25.276  -8.515
  619    H3     U 218           H3         U 218  11.283 -22.193  -7.507
  620    H5     U 218           H5         U 218  10.381 -23.214 -11.468
  621    H6     U 218           H6         U 218  12.107 -24.947 -11.311
  622   1H5*    C 219          1H5*        C 219  13.160 -29.798  -7.942
  623   2H5*    C 219          2H5*        C 219  12.396 -31.333  -7.528
  624    H4*    C 219           H4*        C 219  11.796 -29.933  -5.779
  625    H3*    C 219           H3*        C 219   9.513 -29.866  -7.776
  626   1H2*    C 219          1H2*        C 219   8.280 -28.714  -6.170
  627   2HO*    C 219          2HO*        C 219   8.548 -29.434  -4.117
  628    H1*    C 219           H1*        C 219  10.454 -27.286  -5.059
  629   1H4     C 219          1H4         C 219   7.817 -22.935  -8.879
  630   2H4     C 219          2H4         C 219   8.225 -23.888 -10.289
  631    H5     C 219           H5         C 219   9.253 -26.012 -10.188
  632    H6     C 219           H6         C 219  10.151 -27.762  -8.696
  633   1H5*    C 220          1H5*        C 220   7.059 -32.641  -5.021
  634   2H5*    C 220          2H5*        C 220   6.816 -33.886  -6.246
  635    H4*    C 220           H4*        C 220   4.670 -33.234  -5.524
  636    H3*    C 220           H3*        C 220   5.409 -32.238  -8.236
  637   1H2*    C 220          1H2*        C 220   3.417 -31.005  -8.460
  638   2HO*    C 220          2HO*        C 220   2.573 -32.077  -5.943
  639    H1*    C 220           H1*        C 220   3.517 -30.007  -5.799
  640   1H4     C 220          1H4         C 220   5.735 -25.029  -9.072
  641   2H4     C 220          2H4         C 220   7.032 -25.998  -9.733
  642    H5     C 220           H5         C 220   7.308 -28.303  -9.296
  643    H6     C 220           H6         C 220   6.398 -30.264  -8.104
   
  No H/Q in entry =         643
  Start of MODEL    7
    1    H    MET   1           HN       MET   1   4.225 -12.280   6.162
    2    HA   MET   1           HA       MET   1   5.946 -12.005   4.387
    3   1HB   MET   1          2HB       MET   1   4.152 -14.320   4.939
    4   2HB   MET   1          3HB       MET   1   4.973 -14.448   3.396
    5   1HG   MET   1          2HG       MET   1   7.158 -14.293   4.431
    6   2HG   MET   1          3HG       MET   1   6.479 -13.768   5.958
    7   1HE   MET   1          3HE       MET   1   6.397 -14.995   7.710
    8   2HE   MET   1          1HE       MET   1   4.788 -15.735   7.526
    9   3HE   MET   1          2HE       MET   1   6.196 -16.752   7.912
   10    H    GLN   2           HN       GLN   2   2.503 -12.313   3.430
   11    HA   GLN   2           HA       GLN   2   2.592 -12.697   0.822
   12   1HB   GLN   2          2HB       GLN   2   0.921 -10.827   2.503
   13   2HB   GLN   2          3HB       GLN   2   0.706 -10.813   0.764
   14   1HG   GLN   2          2HG       GLN   2   0.171 -13.199   0.736
   15   2HG   GLN   2          3HG       GLN   2   0.614 -13.373   2.423
   16   1HE2  GLN   2          2HE2      GLN   2  -2.925 -11.524   1.310
   17   2HE2  GLN   2          1HE2      GLN   2  -1.569 -11.632   0.238
   18    H    LYS   3           HN       LYS   3   2.720 -11.352  -1.132
   19    HA   LYS   3           HA       LYS   3   3.486  -9.700  -2.402
   20   1HB   LYS   3          2HB       LYS   3   2.529  -8.204  -0.542
   21   2HB   LYS   3          3HB       LYS   3   4.175  -8.058   0.038
   22   1HG   LYS   3          2HG       LYS   3   4.561  -6.453  -1.513
   23   2HG   LYS   3          3HG       LYS   3   4.308  -7.636  -2.781
   24   1HD   LYS   3          2HD       LYS   3   1.991  -6.196  -1.421
   25   2HD   LYS   3          3HD       LYS   3   2.799  -5.538  -2.831
   26   1HE   LYS   3          2HE       LYS   3   1.779  -7.015  -4.249
   27   2HE   LYS   3          3HE       LYS   3   2.076  -8.378  -3.189
   28   1HZ   LYS   3          1HZ       LYS   3  -0.158  -8.233  -2.882
   29   2HZ   LYS   3          2HZ       LYS   3   0.194  -7.059  -1.810
   30    H    GLY   4           HN       GLY   4   5.028 -11.699  -2.492
   31   1HA   GLY   4          1HA       GLY   4   7.508 -11.685  -1.222
   32   2HA   GLY   4          2HA       GLY   4   7.128 -12.452  -2.751
   33    H    ASN   5           HN       ASN   5   6.222  -9.680  -3.833
   34    HA   ASN   5           HA       ASN   5   8.548  -9.098  -5.158
   35   1HB   ASN   5          2HB       ASN   5   5.916  -8.297  -5.343
   36   2HB   ASN   5          3HB       ASN   5   6.633  -6.830  -4.708
   37   1HD2  ASN   5          2HD2      ASN   5   7.862  -5.768  -7.748
   38   2HD2  ASN   5          1HD2      ASN   5   7.294  -5.441  -6.144
   39    H    PHE   6           HN       PHE   6   7.430  -8.263  -1.944
   40    HA   PHE   6           HA       PHE   6   8.681  -5.813  -1.560
   41   1HB   PHE   6          2HB       PHE   6   7.096  -6.645   0.068
   42   2HB   PHE   6          3HB       PHE   6   7.861  -8.221   0.127
   43    HD1  PHE   6           HD2      PHE   6   8.260  -4.688   1.156
   44    HD2  PHE   6           HD1      PHE   6   9.548  -8.693   1.712
   45    HE1  PHE   6           HE2      PHE   6   9.530  -3.994   3.207
   46    HE2  PHE   6           HE1      PHE   6  10.819  -8.000   3.763
   47    HZ   PHE   6           HZ       PHE   6  10.793  -5.659   4.486
   48    H    ARG   7           HN       ARG   7  10.035  -8.954  -2.092
   49    HA   ARG   7           HA       ARG   7  12.242  -8.847  -0.463
   50   1HB   ARG   7          2HB       ARG   7  13.225 -10.504  -2.018
   51   2HB   ARG   7          3HB       ARG   7  11.528 -10.857  -1.763
   52   1HG   ARG   7          2HG       ARG   7  10.945  -9.716  -3.895
   53   2HG   ARG   7          3HG       ARG   7  12.626  -9.287  -4.143
   54   1HD   ARG   7          2HD       ARG   7  11.889 -12.200  -3.737
   55   2HD   ARG   7          3HD       ARG   7  11.618 -11.458  -5.302
   56    HE   ARG   7           HE       ARG   7  14.200 -12.132  -4.123
   57   1HH1  ARG   7          2HH2      ARG   7  12.588  -9.977  -6.427
   58   2HH1  ARG   7          1HH2      ARG   7  14.024  -9.683  -7.348
   59    HH2  ARG   7           HH1      ARG   7  16.075 -10.733  -6.690
   60    H    ASN   8           HN       ASN   8  11.352  -6.811  -3.082
   61    HA   ASN   8           HA       ASN   8  13.720  -6.354  -4.360
   62   1HB   ASN   8          2HB       ASN   8  12.745  -4.097  -4.899
   63   2HB   ASN   8          3HB       ASN   8  11.578  -5.386  -5.120
   64   1HD2  ASN   8          2HD2      ASN   8  10.182  -2.428  -3.196
   65   2HD2  ASN   8          1HD2      ASN   8  11.119  -2.580  -4.645
   66    H    GLN   9           HN       GLN   9  12.410  -5.156  -1.237
   67    HA   GLN   9           HA       GLN   9  14.179  -3.087  -0.827
   68   1HB   GLN   9          2HB       GLN   9  12.727  -4.915   1.129
   69   2HB   GLN   9          3HB       GLN   9  13.642  -3.513   1.646
   70   1HG   GLN   9          2HG       GLN   9  12.208  -2.155  -0.048
   71   2HG   GLN   9          3HG       GLN   9  11.176  -3.567  -0.138
   72   1HE2  GLN   9          2HE2      GLN   9   9.331  -2.020   2.409
   73   2HE2  GLN   9          1HE2      GLN   9   9.460  -2.394   0.723
   74    H    ARG  10           HN       ARG  10  14.820  -6.419  -1.132
   75    HA   ARG  10           HA       ARG  10  16.681  -6.882   0.807
   76   1HB   ARG  10          2HB       ARG  10  17.537  -8.654  -0.698
   77   2HB   ARG  10          3HB       ARG  10  15.786  -8.612  -0.755
   78   1HG   ARG  10          2HG       ARG  10  16.132  -6.973  -2.798
   79   2HG   ARG  10          3HG       ARG  10  17.762  -7.615  -2.832
   80   1HD   ARG  10          2HD       ARG  10  17.071  -9.744  -3.490
   81   2HD   ARG  10          3HD       ARG  10  15.536  -9.627  -2.651
   82    HE   ARG  10           HE       ARG  10  14.581  -8.589  -4.542
   83   1HH1  ARG  10          2HH2      ARG  10  18.099  -8.764  -4.924
   84   2HH1  ARG  10          1HH2      ARG  10  18.066  -8.296  -6.591
   85    HH2  ARG  10           HH1      ARG  10  15.960  -7.836  -7.639
   86    H    LYS  11           HN       LYS  11  16.774  -4.653  -1.837
   87    HA   LYS  11           HA       LYS  11  19.703  -4.510  -1.677
   88   1HB   LYS  11          2HB       LYS  11  18.807  -5.009  -3.916
   89   2HB   LYS  11          3HB       LYS  11  17.832  -3.554  -3.865
   90   1HG   LYS  11          2HG       LYS  11  19.639  -2.155  -4.214
   91   2HG   LYS  11          3HG       LYS  11  20.734  -3.151  -3.275
   92   1HD   LYS  11          2HD       LYS  11  21.537  -3.463  -5.468
   93   2HD   LYS  11          3HD       LYS  11  20.524  -4.874  -5.242
   94   1HE   LYS  11          2HE       LYS  11  19.738  -4.131  -7.311
   95   2HE   LYS  11          3HE       LYS  11  18.613  -3.315  -6.245
   96   1HZ   LYS  11          1HZ       LYS  11  19.522  -1.306  -6.740
   97   2HZ   LYS  11          2HZ       LYS  11  21.059  -1.844  -6.761
   98    H    THR  12           HN       THR  12  17.305  -2.045  -2.740
   99    HA   THR  12           HA       THR  12  17.182  -0.564  -0.408
  100    HB   THR  12           HB       THR  12  19.780  -0.550  -1.076
  101    HG1  THR  12           HG1      THR  12  17.968   1.641  -0.381
  102   1HG2  THR  12          1HG2      THR  12  18.872   0.584  -3.396
  103   2HG2  THR  12          2HG2      THR  12  19.002   2.040  -2.380
  104   3HG2  THR  12          3HG2      THR  12  20.433   1.018  -2.661
  105    H    VAL  13           HN       VAL  13  15.363  -1.320  -2.330
  106    HA   VAL  13           HA       VAL  13  14.899   0.219  -4.476
  107    HB   VAL  13           HB       VAL  13  12.464  -0.035  -3.895
  108   1HG1  VAL  13          3HG1      VAL  13  14.475  -2.073  -4.383
  109   2HG1  VAL  13          1HG1      VAL  13  13.075  -2.746  -3.511
  110   3HG1  VAL  13          2HG1      VAL  13  12.838  -1.904  -5.061
  111   1HG2  VAL  13          3HG2      VAL  13  13.627  -1.301  -1.394
  112   2HG2  VAL  13          1HG2      VAL  13  12.551   0.113  -1.487
  113   3HG2  VAL  13          2HG2      VAL  13  11.943  -1.498  -1.936
  114    H    LYS  14           HN       LYS  14  13.648   2.193  -4.889
  115    HA   LYS  14           HA       LYS  14  14.094   4.131  -2.736
  116   1HB   LYS  14          2HB       LYS  14  15.347   4.681  -4.694
  117   2HB   LYS  14          3HB       LYS  14  13.971   4.414  -5.746
  118   1HG   LYS  14          2HG       LYS  14  13.023   6.305  -3.890
  119   2HG   LYS  14          3HG       LYS  14  14.681   6.800  -4.168
  120   1HD   LYS  14          2HD       LYS  14  12.995   6.075  -6.565
  121   2HD   LYS  14          3HD       LYS  14  12.687   7.609  -5.776
  122   1HE   LYS  14          2HE       LYS  14  15.570   6.994  -6.281
  123   2HE   LYS  14          3HE       LYS  14  14.597   7.238  -7.717
  124   1HZ   LYS  14          1HZ       LYS  14  13.966   9.229  -5.807
  125   2HZ   LYS  14          2HZ       LYS  14  15.580   9.210  -6.026
  126    H    CYS  15           HN       CYS  15  12.409   5.325  -1.891
  127    HA   CYS  15           HA       CYS  15   9.818   4.267  -2.322
  128   1HB   CYS  15          2HB       CYS  15  10.567   5.061  -0.113
  129   2HB   CYS  15          3HB       CYS  15  10.705   6.697  -0.729
  130    H    PHE  16           HN       PHE  16   8.584   4.782  -4.094
  131    HA   PHE  16           HA       PHE  16   9.223   7.086  -5.656
  132   1HB   PHE  16          2HB       PHE  16   7.160   4.828  -5.632
  133   2HB   PHE  16          3HB       PHE  16   6.975   6.145  -6.772
  134    HD1  PHE  16           HD1      PHE  16   9.690   6.679  -7.659
  135    HD2  PHE  16           HD2      PHE  16   7.815   2.964  -6.828
  136    HE1  PHE  16           HE1      PHE  16  11.263   5.530  -9.242
  137    HE2  PHE  16           HE2      PHE  16   9.388   1.816  -8.411
  138    HZ   PHE  16           HZ       PHE  16  11.094   3.113  -9.600
  139    H    ASN  17           HN       ASN  17   7.794   6.960  -2.727
  140    HA   ASN  17           HA       ASN  17   5.554   8.646  -3.432
  141   1HB   ASN  17          2HB       ASN  17   5.527   6.686  -1.667
  142   2HB   ASN  17          3HB       ASN  17   6.362   7.810  -0.613
  143   1HD2  ASN  17          2HD2      ASN  17   3.295   8.943   0.542
  144   2HD2  ASN  17          1HD2      ASN  17   4.831   8.206   0.854
  145    H    CYS  18           HN       CYS  18   8.316   8.538  -1.041
  146    HA   CYS  18           HA       CYS  18   8.187  11.423  -0.821
  147   1HB   CYS  18          2HB       CYS  18   9.830  11.122   1.010
  148   2HB   CYS  18          3HB       CYS  18   8.350  10.216   1.265
  149    H    GLY  19           HN       GLY  19  10.336   8.722  -1.879
  150   1HA   GLY  19          1HA       GLY  19  11.673   8.999  -3.828
  151   2HA   GLY  19          2HA       GLY  19  11.906  10.687  -3.419
  152    H    LYS  20           HN       LYS  20  12.009   8.115  -0.945
  153    HA   LYS  20           HA       LYS  20  14.833   8.763  -0.555
  154   1HB   LYS  20          2HB       LYS  20  12.600   7.883   1.233
  155   2HB   LYS  20          3HB       LYS  20  14.233   7.410   1.659
  156   1HG   LYS  20          2HG       LYS  20  14.444  10.138   0.911
  157   2HG   LYS  20          3HG       LYS  20  12.963  10.045   1.844
  158   1HD   LYS  20          2HD       LYS  20  15.315   8.560   2.963
  159   2HD   LYS  20          3HD       LYS  20  15.435  10.308   2.975
  160   1HE   LYS  20          2HE       LYS  20  13.636  10.571   4.453
  161   2HE   LYS  20          3HE       LYS  20  12.849   9.094   3.935
  162   1HZ   LYS  20          1HZ       LYS  20  13.829   8.074   5.661
  163   2HZ   LYS  20          2HZ       LYS  20  15.307   8.366   5.046
  164    H    GLU  21           HN       GLU  21  15.742   6.517   0.774
  165    HA   GLU  21           HA       GLU  21  15.192   4.349  -1.081
  166   1HB   GLU  21          2HB       GLU  21  17.725   5.829  -0.759
  167   2HB   GLU  21          3HB       GLU  21  17.926   4.099  -0.564
  168   1HG   GLU  21          2HG       GLU  21  17.333   3.633  -2.763
  169   2HG   GLU  21          3HG       GLU  21  16.210   4.974  -2.864
  170    HE2  GLU  21           HE2      GLU  21  18.423   5.244  -5.071
  171    H    GLY  22           HN       GLY  22  14.844   2.424  -0.032
  172   1HA   GLY  22          1HA       GLY  22  15.874   0.952   1.711
  173   2HA   GLY  22          2HA       GLY  22  15.655   2.299   2.810
  174    H    HIS  23           HN       HIS  23  13.103   2.554   0.667
  175    HA   HIS  23           HA       HIS  23  11.440   0.476   1.622
  176   1HB   HIS  23          2HB       HIS  23  10.029   1.591   3.109
  177   2HB   HIS  23          3HB       HIS  23  11.643   2.037   3.625
  178    HD1  HIS  23           HD1      HIS  23  12.385   4.523   3.292
  179    HD2  HIS  23           HD2      HIS  23   8.463   3.702   2.054
  180    HE1  HIS  23           HE1      HIS  23  11.257   6.785   2.943
  181    H    ILE  24           HN       ILE  24   9.225   0.648   0.674
  182    HA   ILE  24           HA       ILE  24   9.325   2.352  -1.714
  183    HB   ILE  24           HB       ILE  24   8.056   0.716  -2.852
  184   1HG1  ILE  24          2HG1      ILE  24   7.832  -0.878  -0.285
  185   2HG1  ILE  24          3HG1      ILE  24   6.565   0.159  -0.909
  186   1HG2  ILE  24          3HG2      ILE  24  10.613   0.219  -1.825
  187   2HG2  ILE  24          1HG2      ILE  24   9.729  -1.315  -1.648
  188   3HG2  ILE  24          2HG2      ILE  24   9.848  -0.536  -3.244
  189   1HD1  ILE  24          3HD1      ILE  24   7.809  -2.155  -2.463
  190   2HD1  ILE  24          1HD1      ILE  24   6.268  -2.238  -1.577
  191   3HD1  ILE  24          2HD1      ILE  24   6.429  -1.157  -2.981
  192    H    ALA  25           HN       ALA  25   7.158   3.140  -2.499
  193    HA   ALA  25           HA       ALA  25   5.923   4.683  -0.625
  194   1HB   ALA  25          1HB       ALA  25   4.889   3.511  -3.235
  195   2HB   ALA  25          2HB       ALA  25   4.054   4.794  -2.327
  196   3HB   ALA  25          3HB       ALA  25   5.678   5.087  -2.991
  197    H    LYS  26           HN       LYS  26   5.236   1.290  -1.567
  198    HA   LYS  26           HA       LYS  26   2.792   1.061  -0.245
  199   1HB   LYS  26          2HB       LYS  26   4.852  -1.109  -0.734
  200   2HB   LYS  26          3HB       LYS  26   3.138  -1.332  -0.450
  201   1HG   LYS  26          2HG       LYS  26   3.871   0.519  -2.694
  202   2HG   LYS  26          3HG       LYS  26   4.234  -1.177  -2.945
  203   1HD   LYS  26          2HD       LYS  26   1.519  -0.545  -1.829
  204   2HD   LYS  26          3HD       LYS  26   1.803  -0.083  -3.496
  205   1HE   LYS  26          2HE       LYS  26   2.369  -2.366  -4.125
  206   2HE   LYS  26          3HE       LYS  26   2.426  -2.879  -2.450
  207   1HZ   LYS  26          1HZ       LYS  26   0.081  -2.356  -4.110
  208   2HZ   LYS  26          2HZ       LYS  26   0.297  -3.502  -2.975
  209    H    ASN  27           HN       ASN  27   6.193   0.543   0.855
  210    HA   ASN  27           HA       ASN  27   5.189  -0.003   3.498
  211   1HB   ASN  27          2HB       ASN  27   7.968  -0.024   2.232
  212   2HB   ASN  27          3HB       ASN  27   7.755  -0.205   3.961
  213   1HD2  ASN  27          2HD2      ASN  27   6.277  -3.102   1.374
  214   2HD2  ASN  27          1HD2      ASN  27   6.378  -1.435   0.913
  215    H    CYS  28           HN       CYS  28   5.277   2.723   1.859
  216    HA   CYS  28           HA       CYS  28   7.035   4.303   3.499
  217   1HB   CYS  28          2HB       CYS  28   6.803   4.795   1.095
  218   2HB   CYS  28          3HB       CYS  28   5.096   5.130   1.313
  219    H    ARG  29           HN       ARG  29   6.376   5.550   5.264
  220    HA   ARG  29           HA       ARG  29   3.848   4.944   6.333
  221   1HB   ARG  29          2HB       ARG  29   6.331   6.172   7.214
  222   2HB   ARG  29          3HB       ARG  29   4.999   7.208   7.688
  223   1HG   ARG  29          2HG       ARG  29   3.882   4.936   8.499
  224   2HG   ARG  29          3HG       ARG  29   5.525   4.327   8.466
  225   1HD   ARG  29          2HD       ARG  29   5.519   6.928   9.763
  226   2HD   ARG  29          3HD       ARG  29   4.283   5.928  10.500
  227    HE   ARG  29           HE       ARG  29   6.899   4.612  10.106
  228   1HH1  ARG  29          2HH2      ARG  29   4.774   6.361  12.337
  229   2HH1  ARG  29          1HH2      ARG  29   5.603   5.812  13.755
  230    HH2  ARG  29           HH1      ARG  29   7.493   4.358  13.519
  231    H    ALA  30           HN       ALA  30   5.267   7.607   4.450
  232    HA   ALA  30           HA       ALA  30   3.394   9.592   5.041
  233   1HB   ALA  30          3HB       ALA  30   5.095   9.048   2.576
  234   2HB   ALA  30          1HB       ALA  30   4.201  10.558   2.867
  235   3HB   ALA  30          2HB       ALA  30   5.516  10.078   3.965
  236    HA   PRO  31           HA       PRO  31  -0.085   8.367   2.785
  237   1HB   PRO  31          2HB       PRO  31  -1.193  10.748   2.033
  238   2HB   PRO  31          3HB       PRO  31  -1.361  10.080   3.644
  239   1HG   PRO  31          2HG       PRO  31   0.347  12.315   2.734
  240   2HG   PRO  31          3HG       PRO  31  -0.158  11.910   4.363
  241   1HD   PRO  31          2HD       PRO  31   2.418  11.430   3.194
  242   2HD   PRO  31          3HD       PRO  31   1.876  10.923   4.782
  243    H    ARG  32           HN       ARG  32  -1.009   7.844   0.779
  244    HA   ARG  32           HA       ARG  32   0.854   7.763  -1.224
  245   1HB   ARG  32          2HB       ARG  32  -2.191   7.673  -1.524
  246   2HB   ARG  32          3HB       ARG  32  -1.035   7.032  -2.675
  247   1HG   ARG  32          2HG       ARG  32  -1.290   6.085   0.219
  248   2HG   ARG  32          3HG       ARG  32  -2.015   5.273  -1.154
  249   1HD   ARG  32          2HD       ARG  32   0.909   5.845  -1.418
  250   2HD   ARG  32          3HD       ARG  32   0.487   4.689  -0.171
  251    HE   ARG  32           HE       ARG  32   0.491   4.156  -2.960
  252   1HH1  ARG  32          2HH2      ARG  32  -1.641   3.637  -0.179
  253   2HH1  ARG  32          1HH2      ARG  32  -2.372   2.216  -0.848
  254    HH2  ARG  32           HH1      ARG  32  -1.669   1.437  -3.002
  255    H    LYS  33           HN       LYS  33   1.726   9.535  -2.266
  256    HA   LYS  33           HA       LYS  33  -0.171  11.524  -3.272
  257   1HB   LYS  33          2HB       LYS  33   1.806  11.947  -1.218
  258   2HB   LYS  33          3HB       LYS  33   2.235  12.882  -2.635
  259   1HG   LYS  33          2HG       LYS  33   0.396  14.256  -2.458
  260   2HG   LYS  33          3HG       LYS  33  -0.665  12.952  -1.967
  261   1HD   LYS  33          2HD       LYS  33   0.091  13.055   0.323
  262   2HD   LYS  33          3HD       LYS  33   1.471  14.051  -0.096
  263   1HE   LYS  33          2HE       LYS  33  -0.820  15.471  -1.039
  264   2HE   LYS  33          3HE       LYS  33  -1.252  14.877   0.552
  265   1HZ   LYS  33          1HZ       LYS  33  -0.069  16.648   1.272
  266   2HZ   LYS  33          2HZ       LYS  33   1.275  15.799   0.924
  267    H    LYS  34           HN       LYS  34   1.456  13.110  -4.757
  268    HA   LYS  34           HA       LYS  34   3.235  11.390  -6.270
  269   1HB   LYS  34          2HB       LYS  34   0.606  11.549  -7.069
  270   2HB   LYS  34          3HB       LYS  34   1.343  12.831  -8.008
  271   1HG   LYS  34          2HG       LYS  34   3.181  10.661  -8.133
  272   2HG   LYS  34          3HG       LYS  34   1.597   9.936  -8.328
  273   1HD   LYS  34          2HD       LYS  34   1.069  11.566 -10.149
  274   2HD   LYS  34          3HD       LYS  34   2.646  12.305  -9.948
  275   1HE   LYS  34          2HE       LYS  34   3.130  10.831 -11.684
  276   2HE   LYS  34          3HE       LYS  34   3.524   9.805 -10.319
  277   1HZ   LYS  34          1HZ       LYS  34   1.908   8.411 -10.969
  278   2HZ   LYS  34          2HZ       LYS  34   0.767   9.568 -10.849
  279    H    GLY  35           HN       GLY  35   4.164  13.281  -4.622
  280   1HA   GLY  35          1HA       GLY  35   4.377  15.796  -6.109
  281   2HA   GLY  35          2HA       GLY  35   4.872  15.493  -4.456
  282    H    CYS  36           HN       CYS  36   6.111  16.232  -7.394
  283    HA   CYS  36           HA       CYS  36   8.106  14.346  -7.821
  284   1HB   CYS  36          2HB       CYS  36   7.559  15.901  -9.558
  285   2HB   CYS  36          3HB       CYS  36   7.914  17.283  -8.541
  286    H    TRP  37           HN       TRP  37   9.822  13.823  -6.511
  287    HA   TRP  37           HA       TRP  37  10.467  15.585  -4.316
  288   1HB   TRP  37          2HB       TRP  37  12.204  13.311  -4.543
  289   2HB   TRP  37          3HB       TRP  37  11.055  13.725  -3.286
  290    HD1  TRP  37           HD1      TRP  37   8.454  12.754  -3.689
  291    HE1  TRP  37           HE1      TRP  37   7.535  10.584  -4.877
  292    HE3  TRP  37           HE3      TRP  37  12.656  11.820  -6.396
  293    HZ2  TRP  37           HZ2      TRP  37   8.643   8.762  -6.773
  294    HZ3  TRP  37           HZ3      TRP  37  12.655   9.825  -7.891
  295    HH2  TRP  37           HH2      TRP  37  10.740   8.322  -8.105
  296    H    LYS  38           HN       LYS  38  10.919  16.667  -6.969
  297    HA   LYS  38           HA       LYS  38  13.839  16.883  -6.849
  298   1HB   LYS  38          2HB       LYS  38  12.529  15.530  -8.859
  299   2HB   LYS  38          3HB       LYS  38  12.674  17.136  -9.542
  300   1HG   LYS  38          2HG       LYS  38  14.678  15.904 -10.140
  301   2HG   LYS  38          3HG       LYS  38  15.137  17.118  -8.963
  302   1HD   LYS  38          2HD       LYS  38  14.547  15.061  -7.265
  303   2HD   LYS  38          3HD       LYS  38  15.026  14.135  -8.674
  304   1HE   LYS  38          2HE       LYS  38  17.151  15.568  -8.777
  305   2HE   LYS  38          3HE       LYS  38  16.686  16.253  -7.232
  306   1HZ   LYS  38          1HZ       LYS  38  17.917  13.758  -7.714
  307   2HZ   LYS  38          2HZ       LYS  38  17.608  14.460  -6.277
  308    H    CYS  39           HN       CYS  39  10.714  18.284  -8.026
  309    HA   CYS  39           HA       CYS  39  11.959  20.914  -7.714
  310   1HB   CYS  39          2HB       CYS  39  10.078  21.721  -9.177
  311   2HB   CYS  39          3HB       CYS  39  11.221  20.651  -9.964
  312    H    GLY  40           HN       GLY  40   9.337  18.686  -6.791
  313   1HA   GLY  40          1HA       GLY  40   8.279  18.767  -4.720
  314   2HA   GLY  40          2HA       GLY  40   8.641  20.476  -4.581
  315    H    LYS  41           HN       LYS  41   7.439  19.266  -7.675
  316    HA   LYS  41           HA       LYS  41   4.969  20.743  -7.189
  317   1HB   LYS  41          2HB       LYS  41   6.775  20.702  -9.322
  318   2HB   LYS  41          3HB       LYS  41   5.403  19.786  -9.908
  319   1HG   LYS  41          2HG       LYS  41   4.383  21.773 -10.319
  320   2HG   LYS  41          3HG       LYS  41   4.197  21.944  -8.585
  321   1HD   LYS  41          2HD       LYS  41   6.845  22.731  -9.793
  322   2HD   LYS  41          3HD       LYS  41   5.479  23.794 -10.065
  323   1HE   LYS  41          2HE       LYS  41   5.545  24.575  -7.928
  324   2HE   LYS  41          3HE       LYS  41   5.575  22.955  -7.260
  325   1HZ   LYS  41          1HZ       LYS  41   7.750  24.745  -7.599
  326   2HZ   LYS  41          2HZ       LYS  41   7.724  23.333  -6.787
  327    H    GLU  42           HN       GLU  42   3.051  19.727  -6.892
  328    HA   GLU  42           HA       GLU  42   3.109  16.859  -6.985
  329   1HB   GLU  42          2HB       GLU  42   0.942  16.997  -5.832
  330   2HB   GLU  42          3HB       GLU  42   2.115  18.029  -5.038
  331   1HG   GLU  42          2HG       GLU  42   1.207  19.999  -6.335
  332   2HG   GLU  42          3HG       GLU  42  -0.010  18.948  -7.032
  333    HE2  GLU  42           HE2      GLU  42  -1.752  18.446  -4.145
  334    H    GLY  43           HN       GLY  43   2.324  15.637  -8.652
  335   1HA   GLY  43          1HA       GLY  43   0.201  15.534 -10.068
  336   2HA   GLY  43          2HA       GLY  43   0.782  17.048 -10.734
  337    H    HIS  44           HN       HIS  44   3.573  16.624 -10.861
  338    HA   HIS  44           HA       HIS  44   3.646  14.495 -12.862
  339   1HB   HIS  44          2HB       HIS  44   5.281  15.712 -14.015
  340   2HB   HIS  44          3HB       HIS  44   4.092  16.902 -13.526
  341    HD1  HIS  44           HD1      HIS  44   4.874  18.821 -12.040
  342    HD2  HIS  44           HD2      HIS  44   7.749  15.798 -12.473
  343    HE1  HIS  44           HE1      HIS  44   7.027  19.730 -11.016
  344    H    GLN  45           HN       GLN  45   6.174  13.750 -13.103
  345    HA   GLN  45           HA       GLN  45   7.097  13.228 -10.390
  346   1HB   GLN  45          2HB       GLN  45   7.593  10.897 -10.996
  347   2HB   GLN  45          3HB       GLN  45   5.889  11.232 -11.227
  348   1HG   GLN  45          2HG       GLN  45   6.902  11.907 -13.712
  349   2HG   GLN  45          3HG       GLN  45   7.987  10.612 -13.248
  350   1HE2  GLN  45          2HE2      GLN  45   5.764   8.203 -14.325
  351   2HE2  GLN  45          1HE2      GLN  45   7.368   8.853 -14.250
  352    H    MET  46           HN       MET  46   9.455  12.582 -10.307
  353    HA   MET  46           HA       MET  46  11.004  14.395 -11.599
  354   1HB   MET  46          2HB       MET  46  11.746  13.149  -9.604
  355   2HB   MET  46          3HB       MET  46  11.664  11.625 -10.465
  356   1HG   MET  46          2HG       MET  46  13.386  13.506 -11.904
  357   2HG   MET  46          3HG       MET  46  13.916  13.350 -10.241
  358   1HE   MET  46          1HE       MET  46  15.939  12.423 -10.509
  359   2HE   MET  46          2HE       MET  46  16.360  10.778 -11.042
  360   3HE   MET  46          3HE       MET  46  16.138  12.073 -12.243
  361    H    LYS  47           HN       LYS  47  10.261  10.992 -12.547
  362    HA   LYS  47           HA       LYS  47  12.053  10.784 -14.642
  363   1HB   LYS  47          2HB       LYS  47  10.535   9.021 -13.511
  364   2HB   LYS  47          3HB       LYS  47   9.309   9.527 -14.657
  365   1HG   LYS  47          2HG       LYS  47  10.629   8.866 -16.545
  366   2HG   LYS  47          3HG       LYS  47  12.104   8.796 -15.603
  367   1HD   LYS  47          2HD       LYS  47  11.456   6.514 -15.901
  368   2HD   LYS  47          3HD       LYS  47  11.014   6.895 -14.249
  369   1HE   LYS  47          2HE       LYS  47   8.964   6.056 -14.827
  370   2HE   LYS  47          3HE       LYS  47   8.704   7.628 -15.557
  371   1HZ   LYS  47          1HZ       LYS  47   9.328   5.094 -16.872
  372   2HZ   LYS  47          2HZ       LYS  47   8.337   6.288 -17.366
  373    H    ASP  48           HN       ASP  48   8.898  12.430 -14.398
  374    HA   ASP  48           HA       ASP  48   9.299  13.263 -17.164
  375   1HB   ASP  48          2HB       ASP  48   7.154  11.879 -16.306
  376   2HB   ASP  48          3HB       ASP  48   6.616  13.466 -15.795
  377    HD1  ASP  48           HD2      ASP  48   7.322  14.749 -18.868
  378    H    CYS  49           HN       CYS  49  10.567  14.509 -14.865
  379    HA   CYS  49           HA       CYS  49   9.126  16.547 -13.703
  380   1HB   CYS  49          2HB       CYS  49  11.393  15.762 -13.004
  381   2HB   CYS  49          3HB       CYS  49  12.082  16.578 -14.394
  382    H    THR  50           HN       THR  50   7.983  18.125 -14.775
  383    HA   THR  50           HA       THR  50   8.730  18.870 -17.455
  384    HB   THR  50           HB       THR  50   6.354  18.555 -16.705
  385    HG1  THR  50           HG1      THR  50   5.744  20.637 -17.672
  386   1HG2  THR  50          1HG2      THR  50   6.898  21.103 -15.090
  387   2HG2  THR  50          2HG2      THR  50   5.312  20.327 -15.315
  388   3HG2  THR  50          3HG2      THR  50   6.582  19.503 -14.378
  389    H    GLU  51           HN       GLU  51  10.141  19.587 -14.592
  390    HA   GLU  51           HA       GLU  51  10.374  22.416 -15.151
  391   1HB   GLU  51          2HB       GLU  51   9.964  21.512 -12.800
  392   2HB   GLU  51          3HB       GLU  51  11.581  20.839 -12.840
  393   1HG   GLU  51          2HG       GLU  51  11.607  23.039 -11.725
  394   2HG   GLU  51          3HG       GLU  51  12.538  23.106 -13.208
  395    HE2  GLU  51           HE2      GLU  51  10.803  24.985 -14.988
  396    H    ARG  52           HN       ARG  52  12.560  19.589 -14.443
  397    HA   ARG  52           HA       ARG  52  14.500  19.037 -15.216
  398   1HB   ARG  52          2HB       ARG  52  13.276  20.290 -17.464
  399   2HB   ARG  52          3HB       ARG  52  14.904  20.933 -17.415
  400   1HG   ARG  52          2HG       ARG  52  14.477  17.953 -17.074
  401   2HG   ARG  52          3HG       ARG  52  14.410  18.651 -18.680
  402   1HD   ARG  52          2HD       ARG  52  16.675  19.009 -18.757
  403   2HD   ARG  52          3HD       ARG  52  16.736  19.604 -17.110
  404    HE   ARG  52           HE       ARG  52  17.094  16.816 -17.985
  405   1HH1  ARG  52          2HH2      ARG  52  16.450  18.961 -15.239
  406   2HH1  ARG  52          1HH2      ARG  52  16.972  17.809 -14.058
  407    HH2  ARG  52           HH1      ARG  52  17.753  15.660 -14.776
  408    H    GLN  53           HN       GLN  53  15.834  19.764 -13.521
  409    HA   GLN  53           HA       GLN  53  17.183  22.267 -14.068
  410   1HB   GLN  53          2HB       GLN  53  15.216  22.316 -12.225
  411   2HB   GLN  53          3HB       GLN  53  16.492  21.694 -11.198
  412   1HG   GLN  53          2HG       GLN  53  17.204  23.835 -10.944
  413   2HG   GLN  53          3HG       GLN  53  17.752  23.775 -12.607
  414   1HE2  GLN  53          2HE2      GLN  53  14.464  25.923 -11.461
  415   2HE2  GLN  53          1HE2      GLN  53  15.364  24.903 -10.389
  416    H    ALA  54           HN       ALA  54  17.004  19.512 -11.692
  417    HA   ALA  54           HA       ALA  54  18.552  18.130 -10.926
  418   1HB   ALA  54          1HB       ALA  54  19.378  18.714 -13.677
  419   2HB   ALA  54          2HB       ALA  54  20.755  18.280 -12.637
  420   3HB   ALA  54          3HB       ALA  54  19.374  17.168 -12.795
  421    H    ASN  55           HN       ASN  55  20.888  18.047 -10.019
  422    HA   ASN  55           HA       ASN  55  21.252  20.197  -8.406
  423   1HB   ASN  55          2HB       ASN  55  22.784  17.783  -9.176
  424   2HB   ASN  55          3HB       ASN  55  23.837  19.105  -8.709
  425   1HD2  ASN  55          2HD2      ASN  55  22.278  16.861  -5.889
  426   2HD2  ASN  55          1HD2      ASN  55  22.629  16.456  -7.536
  427   1H5*    G 201          1H5*        G 201   0.488 -19.471  -5.615
  428   2H5*    G 201          2H5*        G 201   0.946 -17.982  -4.788
  429    H4*    G 201           H4*        G 201   0.509 -19.511  -3.076
  430    H3*    G 201           H3*        G 201   3.454 -19.184  -3.544
  431   1H2*    G 201          1H2*        G 201   3.940 -20.697  -1.795
  432   2HO*    G 201          2HO*        G 201   2.172 -19.732  -0.553
  433    H1*    G 201           H1*        G 201   2.075 -22.610  -2.590
  434    H8     G 201           H8         G 201   4.146 -20.565  -5.086
  435    H1     G 201           H1         G 201   6.293 -26.562  -3.941
  436   1H2     G 201          1H2         G 201   5.126 -27.447  -2.490
  437   2H2     G 201          2H2         G 201   3.767 -26.678  -1.700
  438   1H5*    G 202          1H5*        G 202   3.461 -18.764   0.631
  439   2H5*    G 202          2H5*        G 202   4.113 -17.155   0.944
  440    H4*    G 202           H4*        G 202   5.413 -18.627   2.228
  441    H3*    G 202           H3*        G 202   6.788 -17.588  -0.193
  442   1H2*    G 202          1H2*        G 202   8.686 -18.959   0.115
  443   2HO*    G 202          2HO*        G 202   7.342 -19.592   2.584
  444    H1*    G 202           H1*        G 202   7.169 -21.279   0.647
  445    H8     G 202           H8         G 202   6.325 -18.789  -2.136
  446    H1     G 202           H1         G 202   9.471 -24.114  -4.037
  447   1H2     G 202          1H2         G 202   9.957 -25.253  -2.388
  448   2H2     G 202          2H2         G 202   9.569 -24.828  -0.736
  449   1H5*    A 203          1H5*        A 203   9.415 -17.628   2.575
  450   2H5*    A 203          2H5*        A 203  10.351 -16.200   3.016
  451    H4*    A 203           H4*        A 203  11.987 -17.741   2.487
  452    H3*    A 203           H3*        A 203  11.461 -15.987   0.107
  453   1H2*    A 203          1H2*        A 203  13.081 -17.136  -1.152
  454   2HO*    A 203          2HO*        A 203  13.695 -18.300   1.411
  455    H1*    A 203           H1*        A 203  12.300 -19.695  -0.177
  456    H8     A 203           H8         A 203   9.765 -17.110  -1.386
  457   1H6     A 203          1H6         A 203   9.774 -20.295  -6.754
  458   2H6     A 203          2H6         A 203   9.026 -18.968  -5.895
  459    H2     A 203           H2         A 203  12.847 -22.069  -4.079
  460   1H5*    C 204          1H5*        C 204  15.460 -16.281   0.880
  461   2H5*    C 204          2H5*        C 204  16.476 -14.870   0.584
  462    H4*    C 204           H4*        C 204  17.324 -16.612  -0.765
  463    H3*    C 204           H3*        C 204  15.752 -14.591  -2.354
  464   1H2*    C 204          1H2*        C 204  16.287 -15.724  -4.334
  465   2HO*    C 204          2HO*        C 204  18.423 -16.149  -4.130
  466    H1*    C 204           H1*        C 204  16.038 -18.318  -3.196
  467   1H4     C 204          1H4         C 204  10.564 -17.680  -6.379
  468   2H4     C 204          2H4         C 204  10.059 -16.400  -5.298
  469    H5     C 204           H5         C 204  11.408 -15.534  -3.564
  470    H6     C 204           H6         C 204  13.595 -15.685  -2.428
  471   1H5*    U 205          1H5*        U 205  19.634 -14.738  -3.246
  472   2H5*    U 205          2H5*        U 205  20.748 -13.482  -3.784
  473    H4*    U 205           H4*        U 205  20.534 -14.966  -5.592
  474    H3*    U 205           H3*        U 205  18.778 -12.542  -6.069
  475   1H2*    U 205          1H2*        U 205  18.356 -13.360  -8.191
  476   2HO*    U 205          2HO*        U 205  20.516 -15.179  -8.102
  477    H1*    U 205           H1*        U 205  18.730 -16.135  -7.500
  478    H3     U 205           H3         U 205  14.558 -16.324  -9.201
  479    H5     U 205           H5         U 205  14.093 -13.974  -5.764
  480    H6     U 205           H6         U 205  16.531 -14.033  -5.514
  481   1H5*    A 206          1H5*        A 206  21.223 -12.351  -8.692
  482   2H5*    A 206          2H5*        A 206  22.021 -10.956  -9.420
  483    H4*    A 206           H4*        A 206  20.405 -11.716 -10.970
  484    H3*    A 206           H3*        A 206  19.224  -9.308  -9.536
  485   1H2*    A 206          1H2*        A 206  17.712  -9.257 -11.289
  486   2HO*    A 206          2HO*        A 206  18.500  -9.866 -13.361
  487    H1*    A 206           H1*        A 206  17.871 -12.054 -11.913
  488    H8     A 206           H8         A 206  17.184 -10.797  -8.383
  489   1H6     A 206          1H6         A 206  11.164 -11.823  -9.676
  490   2H6     A 206          2H6         A 206  12.283 -11.359  -8.414
  491    H2     A 206           H2         A 206  13.523 -12.548 -13.371
  492   1H5*    G 207          1H5*        G 207  20.429  -8.251 -13.029
  493   2H5*    G 207          2H5*        G 207  20.556  -6.604 -13.648
  494    H4*    G 207           H4*        G 207  18.497  -7.426 -14.426
  495    H3*    G 207           H3*        G 207  17.712  -5.874 -11.931
  496   1H2*    G 207          1H2*        G 207  15.715  -5.558 -13.151
  497   2HO*    G 207          2HO*        G 207  15.864  -5.551 -15.395
  498    H1*    G 207           H1*        G 207  15.753  -8.136 -14.286
  499    H8     G 207           H8         G 207  16.651  -7.520 -10.621
  500    H1     G 207           H1         G 207  10.561  -9.432 -11.690
  501   1H2     G 207          1H2         G 207  10.222  -9.552 -13.721
  502   2H2     G 207          2H2         G 207  11.413  -9.188 -14.951
  503   1H5*    C 208          1H5*        C 208  18.425  -2.066 -14.534
  504   2H5*    C 208          2H5*        C 208  17.831  -0.756 -13.513
  505    H4*    C 208           H4*        C 208  16.411  -2.160 -15.453
  506    H3*    C 208           H3*        C 208  15.697  -0.134 -13.372
  507   1H2*    C 208          1H2*        C 208  13.597  -0.992 -13.205
  508   2HO*    C 208          2HO*        C 208  13.640  -1.066 -16.073
  509    H1*    C 208           H1*        C 208  13.695  -3.108 -15.200
  510   1H4     C 208          1H4         C 208  11.885  -6.174  -9.919
  511   2H4     C 208          2H4         C 208  13.438  -5.852  -9.183
  512    H5     C 208           H5         C 208  15.126  -4.544 -10.191
  513    H6     C 208           H6         C 208  15.745  -3.210 -12.174
  514   1H5*    G 209          1H5*        G 209  14.482   2.732 -12.828
  515   2H5*    G 209          2H5*        G 209  14.129   1.107 -13.414
  516    H4*    G 209           H4*        G 209  12.533   3.196 -14.718
  517    H3*    G 209           H3*        G 209  12.656   3.207 -11.779
  518   1H2*    G 209          1H2*        G 209  10.385   2.781 -11.411
  519   2HO*    G 209          2HO*        G 209  10.215   3.309 -14.238
  520    H1*    G 209           H1*        G 209  10.040   0.792 -13.280
  521    H8     G 209           H8         G 209  13.358   1.193 -11.401
  522    H1     G 209           H1         G 209   9.403  -3.395  -9.123
  523   1H2     G 209          1H2         G 209   7.636  -3.370 -10.185
  524   2H2     G 209          2H2         G 209   7.278  -2.270 -11.497
  525   1H5*    G 210          1H5*        G 210   9.842   5.485 -12.681
  526   2H5*    G 210          2H5*        G 210   9.853   7.248 -12.656
  527    H4*    G 210           H4*        G 210   8.748   5.445 -10.489
  528    H3*    G 210           H3*        G 210   7.487   6.570 -12.870
  529   1H2*    G 210          1H2*        G 210   6.626   8.364 -11.702
  530   2HO*    G 210          2HO*        G 210   4.884   6.905 -11.881
  531    H1*    G 210           H1*        G 210   6.650   7.480  -8.960
  532    H8     G 210           H8         G 210   9.594   8.562 -11.172
  533    H1     G 210           H1         G 210   7.759  12.839  -6.675
  534   1H2     G 210          1H2         G 210   6.115  12.113  -5.665
  535   2H2     G 210          2H2         G 210   5.347  10.574  -5.987
  536   1H5*    A 211          1H5*        A 211   8.251   3.535 -10.782
  537   2H5*    A 211          2H5*        A 211   8.296   1.774 -10.879
  538    H4*    A 211           H4*        A 211   6.876   1.915  -9.144
  539    H3*    A 211           H3*        A 211   5.142   2.161 -11.560
  540   1H2*    A 211          1H2*        A 211   3.925   3.643 -10.195
  541   2HO*    A 211          2HO*        A 211   3.421   0.956  -9.282
  542    H1*    A 211           H1*        A 211   4.829   1.963  -7.797
  543    H8     A 211           H8         A 211   4.877   5.698  -8.663
  544   1H6     A 211          1H6         A 211   1.587   6.448  -3.412
  545   2H6     A 211          2H6         A 211   2.354   7.294  -4.737
  546    H2     A 211           H2         A 211   2.240   2.097  -4.034
  547   1H5*    G 212          1H5*        G 212   3.180  -2.683  -9.790
  548   2H5*    G 212          2H5*        G 212   3.657  -1.092  -9.200
  549    H4*    G 212           H4*        G 212   5.174  -3.686  -8.856
  550    H3*    G 212           H3*        G 212   3.494  -2.028  -6.993
  551   1H2*    G 212          1H2*        G 212   4.924  -2.514  -5.211
  552   2HO*    G 212          2HO*        G 212   5.860  -4.535  -7.037
  553    H1*    G 212           H1*        G 212   7.288  -2.473  -6.850
  554    H8     G 212           H8         G 212   4.442  -0.158  -5.748
  555    H1     G 212           H1         G 212  10.418   2.132  -4.785
  556   1H2     G 212          1H2         G 212  11.795   0.809  -5.560
  557   2H2     G 212          2H2         G 212  11.393  -0.697  -6.353
  558   1H5*    G 213          1H5*        G 213   3.189  -6.372  -8.750
  559   2H5*    G 213          2H5*        G 213   3.791  -4.851  -9.410
  560    H4*    G 213           H4*        G 213   1.600  -5.979 -10.985
  561    H3*    G 213           H3*        G 213   3.611  -7.875 -10.145
  562   1H2*    G 213          1H2*        G 213   4.810  -8.145 -12.105
  563   2HO*    G 213          2HO*        G 213   2.449  -6.985 -13.280
  564    H1*    G 213           H1*        G 213   4.668  -5.558 -13.117
  565    H8     G 213           H8         G 213   5.170  -6.277  -9.386
  566    H1     G 213           H1         G 213  10.538  -4.786 -12.679
  567   1H2     G 213          1H2         G 213  10.080  -4.561 -14.677
  568   2H2     G 213          2H2         G 213   8.480  -4.748 -15.358
  569   1H5*    C 214          1H5*        C 214   1.866  -9.412 -13.573
  570   2H5*    C 214          2H5*        C 214   1.664 -11.161 -13.670
  571    H4*    C 214           H4*        C 214   3.164 -10.475 -15.396
  572    H3*    C 214           H3*        C 214   4.516 -11.937 -13.128
  573   1H2*    C 214          1H2*        C 214   6.511 -11.967 -14.392
  574   2HO*    C 214          2HO*        C 214   5.418 -10.682 -16.617
  575    H1*    C 214           H1*        C 214   6.347  -9.301 -15.189
  576   1H4     C 214          1H4         C 214   9.849  -8.802  -9.903
  577   2H4     C 214          2H4         C 214   8.504  -9.350  -8.926
  578    H5     C 214           H5         C 214   6.421 -10.019  -9.812
  579    H6     C 214           H6         C 214   5.100 -10.332 -11.875
  580   1H5*    U 215          1H5*        U 215   5.023 -13.662 -16.445
  581   2H5*    U 215          2H5*        U 215   5.104 -15.375 -16.858
  582    H4*    U 215           H4*        U 215   7.229 -14.403 -17.313
  583    H3*    U 215           H3*        U 215   7.253 -16.121 -14.823
  584   1H2*    U 215          1H2*        U 215   9.495 -15.695 -14.596
  585   2HO*    U 215          2HO*        U 215   9.346 -15.376 -17.455
  586    H1*    U 215           H1*        U 215   9.640 -13.275 -16.116
  587    H3     U 215           H3         U 215  11.219 -11.737 -12.194
  588    H5     U 215           H5         U 215   7.271 -12.791 -11.278
  589    H6     U 215           H6         U 215   7.091 -13.700 -13.548
  590   1H5*    A 216          1H5*        A 216   9.365 -17.601 -17.779
  591   2H5*    A 216          2H5*        A 216   9.618 -19.270 -18.288
  592    H4*    A 216           H4*        A 216  11.736 -18.457 -17.679
  593    H3*    A 216           H3*        A 216  10.541 -20.309 -15.666
  594   1H2*    A 216          1H2*        A 216  12.177 -19.893 -14.090
  595   2HO*    A 216          2HO*        A 216  13.899 -18.666 -15.968
  596    H1*    A 216           H1*        A 216  12.728 -17.199 -15.082
  597    H8     A 216           H8         A 216   9.323 -18.178 -13.745
  598   1H6     A 216          1H6         A 216  11.190 -15.697  -8.331
  599   2H6     A 216          2H6         A 216   9.823 -16.386  -9.178
  600    H2     A 216           H2         A 216  14.655 -15.732 -11.112
  601   1H5*    G 217          1H5*        G 217  14.130 -21.416 -16.514
  602   2H5*    G 217          2H5*        G 217  14.847 -23.020 -16.364
  603    H4*    G 217           H4*        G 217  15.563 -21.956 -14.443
  604    H3*    G 217           H3*        G 217  12.961 -23.240 -13.524
  605   1H2*    G 217          1H2*        G 217  13.923 -23.045 -11.390
  606   2HO*    G 217          2HO*        G 217  16.459 -22.292 -12.157
  607    H1*    G 217           H1*        G 217  15.287 -20.603 -12.099
  608    H8     G 217           H8         G 217  11.547 -21.087 -12.615
  609    H1     G 217           H1         G 217  13.180 -18.098  -7.112
  610   1H2     G 217          1H2         G 217  15.231 -18.115  -6.901
  611   2H2     G 217          2H2         G 217  16.343 -18.833  -8.045
  612   1H5*    U 218          1H5*        U 218  16.084 -25.455 -12.626
  613   2H5*    U 218          2H5*        U 218  16.187 -27.176 -12.258
  614    H4*    U 218           H4*        U 218  16.643 -26.081 -10.238
  615    H3*    U 218           H3*        U 218  13.723 -26.914 -10.199
  616   1H2*    U 218          1H2*        U 218  13.741 -26.392  -7.932
  617   2HO*    U 218          2HO*        U 218  15.544 -27.028  -6.857
  618    H1*    U 218           H1*        U 218  15.703 -24.310  -8.167
  619    H3     U 218           H3         U 218  12.302 -21.901  -6.466
  620    H5     U 218           H5         U 218  10.840 -23.105 -10.201
  621    H6     U 218           H6         U 218  12.871 -24.456 -10.451
  622   1H5*    C 219          1H5*        C 219  15.667 -29.296  -6.728
  623   2H5*    C 219          2H5*        C 219  14.704 -30.767  -6.873
  624    H4*    C 219           H4*        C 219  14.540 -29.881  -4.635
  625    H3*    C 219           H3*        C 219  12.071 -29.900  -6.318
  626   1H2*    C 219          1H2*        C 219  10.796 -28.838  -4.656
  627   2HO*    C 219          2HO*        C 219  11.852 -30.229  -3.063
  628    H1*    C 219           H1*        C 219  12.956 -27.062  -3.959
  629   1H4     C 219          1H4         C 219   8.862 -23.247  -7.002
  630   2H4     C 219          2H4         C 219   9.170 -24.091  -8.503
  631    H5     C 219           H5         C 219  10.556 -25.993  -8.683
  632    H6     C 219           H6         C 219  12.007 -27.570  -7.455
  633   1H5*    C 220          1H5*        C 220  10.765 -32.605  -2.952
  634   2H5*    C 220          2H5*        C 220  10.532 -34.156  -3.756
  635    H4*    C 220           H4*        C 220   8.544 -33.896  -2.630
  636    H3*    C 220           H3*        C 220   8.279 -33.131  -5.468
  637   1H2*    C 220          1H2*        C 220   6.173 -32.104  -5.230
  638   2HO*    C 220          2HO*        C 220   4.934 -32.986  -3.671
  639    H1*    C 220           H1*        C 220   6.934 -30.773  -2.815
  640   1H4     C 220          1H4         C 220   7.270 -26.036  -7.042
  641   2H4     C 220          2H4         C 220   8.448 -26.919  -7.987
  642    H5     C 220           H5         C 220   9.192 -29.097  -7.459
  643    H6     C 220           H6         C 220   8.986 -30.984  -5.880
   
  No H/Q in entry =         643
  Start of MODEL    8
    1    H    MET   1           HN       MET   1   5.940 -12.429   4.656
    2    HA   MET   1           HA       MET   1   3.478 -12.450   5.465
    3   1HB   MET   1          2HB       MET   1   4.556  -9.765   6.008
    4   2HB   MET   1          3HB       MET   1   3.185  -9.659   4.922
    5   1HG   MET   1          2HG       MET   1   2.932 -11.444   7.346
    6   2HG   MET   1          3HG       MET   1   2.860  -9.710   7.592
    7   1HE   MET   1          3HE       MET   1   0.819  -9.693   8.518
    8   2HE   MET   1          1HE       MET   1   0.253  -8.492   7.333
    9   3HE   MET   1          2HE       MET   1  -0.769  -9.893   7.739
   10    H    GLN   2           HN       GLN   2   1.835 -11.186   3.785
   11    HA   GLN   2           HA       GLN   2   2.419 -12.231   1.338
   12   1HB   GLN   2          2HB       GLN   2   0.423 -10.313   2.437
   13   2HB   GLN   2          3HB       GLN   2   0.655 -10.214   0.703
   14   1HG   GLN   2          2HG       GLN   2   0.499 -13.008   1.635
   15   2HG   GLN   2          3HG       GLN   2  -0.933 -12.094   2.064
   16   1HE2  GLN   2          1HE2      GLN   2  -2.382 -11.535   0.562
   17   2HE2  GLN   2          2HE2      GLN   2  -2.273 -11.894  -1.129
   18    H    LYS   3           HN       LYS   3   2.258 -10.630  -0.777
   19    HA   LYS   3           HA       LYS   3   3.252  -9.113  -2.050
   20   1HB   LYS   3          2HB       LYS   3   3.222  -7.821   0.520
   21   2HB   LYS   3          3HB       LYS   3   4.729  -7.442  -0.289
   22   1HG   LYS   3          2HG       LYS   3   3.221  -5.776  -1.070
   23   2HG   LYS   3          3HG       LYS   3   3.307  -6.924  -2.392
   24   1HD   LYS   3          2HD       LYS   3   1.067  -7.239  -2.271
   25   2HD   LYS   3          3HD       LYS   3   1.236  -7.853  -0.638
   26   1HE   LYS   3          2HE       LYS   3   0.211  -5.999   0.167
   27   2HE   LYS   3          3HE       LYS   3   1.509  -5.004  -0.463
   28   1HZ   LYS   3          1HZ       LYS   3  -1.043  -5.683  -1.776
   29   2HZ   LYS   3          2HZ       LYS   3  -0.370  -4.214  -1.572
   30    H    GLY   4           HN       GLY   4   4.391 -11.400  -2.246
   31   1HA   GLY   4          1HA       GLY   4   6.943 -11.817  -1.206
   32   2HA   GLY   4          2HA       GLY   4   6.296 -12.504  -2.684
   33    H    ASN   5           HN       ASN   5   5.781  -9.709  -3.826
   34    HA   ASN   5           HA       ASN   5   8.132  -9.513  -5.247
   35   1HB   ASN   5          2HB       ASN   5   5.686  -8.539  -5.662
   36   2HB   ASN   5          3HB       ASN   5   6.299  -7.123  -4.830
   37   1HD2  ASN   5          2HD2      ASN   5   7.682  -5.808  -7.699
   38   2HD2  ASN   5          1HD2      ASN   5   6.829  -5.618  -6.204
   39    H    PHE   6           HN       PHE   6   7.319  -8.523  -2.038
   40    HA   PHE   6           HA       PHE   6   8.689  -6.124  -1.782
   41   1HB   PHE   6          2HB       PHE   6   7.185  -6.982  -0.050
   42   2HB   PHE   6          3HB       PHE   6   8.040  -8.510   0.028
   43    HD1  PHE   6           HD1      PHE   6  10.470  -8.445   0.904
   44    HD2  PHE   6           HD2      PHE   6   7.699  -5.281   1.459
   45    HE1  PHE   6           HE1      PHE   6  11.839  -7.583   2.823
   46    HE2  PHE   6           HE2      PHE   6   9.068  -4.417   3.377
   47    HZ   PHE   6           HZ       PHE   6  11.122  -5.579   4.035
   48    H    ARG   7           HN       ARG   7   9.884  -9.304  -2.431
   49    HA   ARG   7           HA       ARG   7  12.232  -9.269  -1.006
   50   1HB   ARG   7          2HB       ARG   7  13.016 -10.956  -2.651
   51   2HB   ARG   7          3HB       ARG   7  11.349 -11.264  -2.206
   52   1HG   ARG   7          2HG       ARG   7  10.907  -9.637  -4.337
   53   2HG   ARG   7          3HG       ARG   7  12.471 -10.269  -4.811
   54   1HD   ARG   7          2HD       ARG   7  11.611 -12.607  -4.526
   55   2HD   ARG   7          3HD       ARG   7  10.046 -11.973  -4.056
   56    HE   ARG   7           HE       ARG   7  11.029 -10.988  -6.654
   57   1HH1  ARG   7          2HH2      ARG   7   9.101 -13.453  -4.990
   58   2HH1  ARG   7          1HH2      ARG   7   8.187 -13.868  -6.402
   59    HH2  ARG   7           HH1      ARG   7   8.629 -12.729  -8.463
   60    H    ASN   8           HN       ASN   8  11.174  -7.217  -3.547
   61    HA   ASN   8           HA       ASN   8  13.427  -6.846  -5.042
   62   1HB   ASN   8          2HB       ASN   8  12.483  -4.563  -5.509
   63   2HB   ASN   8          3HB       ASN   8  11.253  -5.808  -5.599
   64   1HD2  ASN   8          2HD2      ASN   8  10.148  -2.790  -3.590
   65   2HD2  ASN   8          1HD2      ASN   8  10.921  -2.995  -5.126
   66    H    GLN   9           HN       GLN   9  12.479  -5.641  -1.802
   67    HA   GLN   9           HA       GLN   9  14.316  -3.606  -1.561
   68   1HB   GLN   9          2HB       GLN   9  12.812  -5.364   0.369
   69   2HB   GLN   9          3HB       GLN   9  14.088  -4.347   1.006
   70   1HG   GLN   9          2HG       GLN   9  12.991  -2.369  -0.191
   71   2HG   GLN   9          3HG       GLN   9  11.652  -3.427  -0.588
   72   1HE2  GLN   9          2HE2      GLN   9  12.409  -2.442   3.378
   73   2HE2  GLN   9          1HE2      GLN   9  13.682  -2.560   2.210
   74    H    ARG  10           HN       ARG  10  14.862  -6.948  -1.960
   75    HA   ARG  10           HA       ARG  10  16.900  -7.489  -0.250
   76   1HB   ARG  10          2HB       ARG  10  17.567  -9.230  -1.857
   77   2HB   ARG  10          3HB       ARG  10  15.818  -9.127  -1.820
   78   1HG   ARG  10          2HG       ARG  10  15.765  -8.674  -4.039
   79   2HG   ARG  10          3HG       ARG  10  16.751  -7.246  -3.794
   80   1HD   ARG  10          2HD       ARG  10  18.195  -9.878  -3.726
   81   2HD   ARG  10          3HD       ARG  10  17.569  -9.379  -5.284
   82    HE   ARG  10           HE       ARG  10  18.990  -7.434  -5.231
   83   1HH1  ARG  10          2HH2      ARG  10  19.408  -9.496  -2.380
   84   2HH1  ARG  10          1HH2      ARG  10  20.916  -8.774  -1.926
   85    HH2  ARG  10           HH1      ARG  10  21.820  -7.003  -3.265
   86    H    LYS  11           HN       LYS  11  16.782  -5.201  -2.863
   87    HA   LYS  11           HA       LYS  11  19.713  -5.073  -2.937
   88   1HB   LYS  11          2HB       LYS  11  18.619  -5.509  -5.102
   89   2HB   LYS  11          3HB       LYS  11  17.673  -4.044  -4.933
   90   1HG   LYS  11          2HG       LYS  11  19.477  -2.650  -5.363
   91   2HG   LYS  11          3HG       LYS  11  20.634  -3.725  -4.604
   92   1HD   LYS  11          2HD       LYS  11  21.168  -3.884  -6.908
   93   2HD   LYS  11          3HD       LYS  11  20.218  -5.327  -6.611
   94   1HE   LYS  11          2HE       LYS  11  18.651  -4.673  -8.117
   95   2HE   LYS  11          3HE       LYS  11  18.415  -3.154  -7.277
   96   1HZ   LYS  11          1HZ       LYS  11  20.156  -2.156  -8.536
   97   2HZ   LYS  11          2HZ       LYS  11  20.698  -3.577  -9.119
   98    H    THR  12           HN       THR  12  17.278  -2.556  -3.748
   99    HA   THR  12           HA       THR  12  17.352  -1.135  -1.375
  100    HB   THR  12           HB       THR  12  19.891  -1.134  -2.246
  101    HG1  THR  12           HG1      THR  12  18.240   1.150  -1.425
  102   1HG2  THR  12          3HG2      THR  12  18.770   0.114  -4.438
  103   2HG2  THR  12          1HG2      THR  12  19.103   1.513  -3.390
  104   3HG2  THR  12          2HG2      THR  12  20.428   0.426  -3.869
  105    H    VAL  13           HN       VAL  13  15.388  -1.826  -3.186
  106    HA   VAL  13           HA       VAL  13  14.770  -0.243  -5.248
  107    HB   VAL  13           HB       VAL  13  12.382  -0.439  -4.439
  108   1HG1  VAL  13          2HG1      VAL  13  14.278  -2.494  -5.208
  109   2HG1  VAL  13          3HG1      VAL  13  12.976  -3.176  -4.204
  110   3HG1  VAL  13          1HG1      VAL  13  12.577  -2.279  -5.689
  111   1HG2  VAL  13          1HG2      VAL  13  13.777  -1.764  -2.094
  112   2HG2  VAL  13          2HG2      VAL  13  12.649  -0.386  -2.062
  113   3HG2  VAL  13          3HG2      VAL  13  12.060  -2.010  -2.490
  114    H    LYS  14           HN       LYS  14  13.536   1.763  -5.533
  115    HA   LYS  14           HA       LYS  14  14.184   3.659  -3.391
  116   1HB   LYS  14          2HB       LYS  14  15.334   4.343  -5.301
  117   2HB   LYS  14          3HB       LYS  14  14.036   3.889  -6.386
  118   1HG   LYS  14          2HG       LYS  14  12.946   5.885  -6.122
  119   2HG   LYS  14          3HG       LYS  14  13.202   5.907  -4.389
  120   1HD   LYS  14          2HD       LYS  14  14.829   7.455  -4.670
  121   2HD   LYS  14          3HD       LYS  14  15.782   6.270  -5.542
  122   1HE   LYS  14          2HE       LYS  14  14.017   7.005  -7.515
  123   2HE   LYS  14          3HE       LYS  14  14.087   8.499  -6.602
  124   1HZ   LYS  14          1HZ       LYS  14  16.490   8.506  -6.845
  125   2HZ   LYS  14          2HZ       LYS  14  16.492   7.055  -7.582
  126    H    CYS  15           HN       CYS  15  12.591   4.963  -2.490
  127    HA   CYS  15           HA       CYS  15   9.939   3.963  -2.790
  128   1HB   CYS  15          2HB       CYS  15  10.828   4.635  -0.592
  129   2HB   CYS  15          3HB       CYS  15  10.994   6.288  -1.146
  130    H    PHE  16           HN       PHE  16   8.738   4.560  -4.568
  131    HA   PHE  16           HA       PHE  16   9.362   6.893  -6.048
  132   1HB   PHE  16          2HB       PHE  16   7.164   4.766  -5.958
  133   2HB   PHE  16          3HB       PHE  16   7.005   6.121  -7.057
  134    HD1  PHE  16           HD1      PHE  16   9.749   6.483  -8.026
  135    HD2  PHE  16           HD2      PHE  16   7.579   2.912  -7.285
  136    HE1  PHE  16           HE1      PHE  16  11.156   5.276  -9.718
  137    HE2  PHE  16           HE2      PHE  16   8.986   1.706  -8.976
  138    HZ   PHE  16           HZ       PHE  16  10.758   2.902 -10.173
  139    H    ASN  17           HN       ASN  17   7.912   6.601  -3.063
  140    HA   ASN  17           HA       ASN  17   5.805   8.482  -3.580
  141   1HB   ASN  17          2HB       ASN  17   5.857   6.455  -1.847
  142   2HB   ASN  17          3HB       ASN  17   6.696   7.594  -0.814
  143   1HD2  ASN  17          2HD2      ASN  17   3.559   8.518   0.401
  144   2HD2  ASN  17          1HD2      ASN  17   5.072   7.720   0.676
  145    H    CYS  18           HN       CYS  18   8.496   8.213  -1.124
  146    HA   CYS  18           HA       CYS  18   8.568  11.069  -0.871
  147   1HB   CYS  18          2HB       CYS  18  10.288  10.641   0.843
  148   2HB   CYS  18          3HB       CYS  18   8.827   9.718   1.129
  149    H    GLY  19           HN       GLY  19  10.633   8.367  -2.118
  150   1HA   GLY  19          1HA       GLY  19  11.841   8.693  -4.152
  151   2HA   GLY  19          2HA       GLY  19  12.123  10.363  -3.704
  152    H    LYS  20           HN       LYS  20  12.341   7.636  -1.389
  153    HA   LYS  20           HA       LYS  20  15.189   8.258  -1.119
  154   1HB   LYS  20          2HB       LYS  20  13.205   8.178   0.779
  155   2HB   LYS  20          3HB       LYS  20  13.896   6.575   0.930
  156   1HG   LYS  20          2HG       LYS  20  16.023   7.390   1.528
  157   2HG   LYS  20          3HG       LYS  20  15.777   8.931   0.731
  158   1HD   LYS  20          2HD       LYS  20  14.065   9.532   2.484
  159   2HD   LYS  20          3HD       LYS  20  14.394   8.015   3.297
  160   1HE   LYS  20          2HE       LYS  20  16.067   9.058   4.421
  161   2HE   LYS  20          3HE       LYS  20  16.951   9.155   2.911
  162   1HZ   LYS  20          1HZ       LYS  20  14.932  11.194   3.652
  163   2HZ   LYS  20          2HZ       LYS  20  16.496  11.343   4.080
  164    H    GLU  21           HN       GLU  21  16.176   5.970   0.031
  165    HA   GLU  21           HA       GLU  21  15.479   3.884  -1.872
  166   1HB   GLU  21          2HB       GLU  21  18.045   5.314  -1.609
  167   2HB   GLU  21          3HB       GLU  21  18.233   3.576  -1.487
  168   1HG   GLU  21          2HG       GLU  21  17.440   3.189  -3.661
  169   2HG   GLU  21          3HG       GLU  21  16.461   4.642  -3.683
  170    HE2  GLU  21           HE2      GLU  21  18.988   6.644  -4.874
  171    H    GLY  22           HN       GLY  22  15.104   1.940  -0.880
  172   1HA   GLY  22          1HA       GLY  22  16.270   0.405   0.777
  173   2HA   GLY  22          2HA       GLY  22  15.972   1.690   1.930
  174    H    HIS  23           HN       HIS  23  13.363   2.375   0.383
  175    HA   HIS  23           HA       HIS  23  11.788   0.021   0.980
  176   1HB   HIS  23          2HB       HIS  23  10.376   1.018   2.565
  177   2HB   HIS  23          3HB       HIS  23  12.003   1.393   3.097
  178    HD1  HIS  23           HD1      HIS  23  12.753   3.882   3.054
  179    HD2  HIS  23           HD2      HIS  23   8.852   3.244   1.651
  180    HE1  HIS  23           HE1      HIS  23  11.661   6.184   2.907
  181    H    ILE  24           HN       ILE  24   9.541   0.223   0.112
  182    HA   ILE  24           HA       ILE  24   9.552   2.079  -2.159
  183    HB   ILE  24           HB       ILE  24   8.215   0.515  -3.335
  184   1HG1  ILE  24          2HG1      ILE  24   8.187  -1.350  -0.958
  185   2HG1  ILE  24          3HG1      ILE  24   6.915  -0.175  -1.229
  186   1HG2  ILE  24          2HG2      ILE  24  10.818   0.084  -2.700
  187   2HG2  ILE  24          3HG2      ILE  24  10.090  -1.456  -2.186
  188   3HG2  ILE  24          1HG2      ILE  24   9.889  -0.892  -3.863
  189   1HD1  ILE  24          1HD1      ILE  24   6.746  -1.154  -3.632
  190   2HD1  ILE  24          2HD1      ILE  24   7.723  -2.503  -3.006
  191   3HD1  ILE  24          3HD1      ILE  24   6.130  -2.153  -2.294
  192    H    ALA  25           HN       ALA  25   7.314   2.847  -2.838
  193    HA   ALA  25           HA       ALA  25   6.169   4.345  -0.887
  194   1HB   ALA  25          2HB       ALA  25   5.880   4.280  -3.487
  195   2HB   ALA  25          3HB       ALA  25   4.514   3.194  -3.138
  196   3HB   ALA  25          1HB       ALA  25   4.527   4.849  -2.481
  197    H    LYS  26           HN       LYS  26   5.490   0.939  -1.779
  198    HA   LYS  26           HA       LYS  26   3.141   0.652  -0.312
  199   1HB   LYS  26          2HB       LYS  26   5.173  -1.537  -0.757
  200   2HB   LYS  26          3HB       LYS  26   3.432  -1.679  -0.623
  201   1HG   LYS  26          2HG       LYS  26   3.354  -0.112  -2.731
  202   2HG   LYS  26          3HG       LYS  26   5.048  -0.519  -2.921
  203   1HD   LYS  26          2HD       LYS  26   3.445  -2.015  -4.214
  204   2HD   LYS  26          3HD       LYS  26   4.567  -2.871  -3.175
  205   1HE   LYS  26          2HE       LYS  26   2.910  -3.553  -1.701
  206   2HE   LYS  26          3HE       LYS  26   1.969  -2.090  -1.905
  207   1HZ   LYS  26          1HZ       LYS  26   2.066  -3.595  -4.330
  208   2HZ   LYS  26          2HZ       LYS  26   1.467  -4.503  -3.118
  209    H    ASN  27           HN       ASN  27   6.607   0.157   0.601
  210    HA   ASN  27           HA       ASN  27   5.755  -0.330   3.306
  211   1HB   ASN  27          2HB       ASN  27   8.536  -0.251   2.022
  212   2HB   ASN  27          3HB       ASN  27   8.240  -0.686   3.693
  213   1HD2  ASN  27          2HD2      ASN  27   8.134  -3.475   0.873
  214   2HD2  ASN  27          1HD2      ASN  27   8.893  -1.919   0.793
  215    H    CYS  28           HN       CYS  28   5.640   2.365   1.704
  216    HA   CYS  28           HA       CYS  28   7.524   3.976   3.187
  217   1HB   CYS  28          2HB       CYS  28   7.140   4.418   0.782
  218   2HB   CYS  28          3HB       CYS  28   5.459   4.785   1.113
  219    H    ARG  29           HN       ARG  29   6.966   5.170   5.009
  220    HA   ARG  29           HA       ARG  29   4.515   4.584   6.219
  221   1HB   ARG  29          2HB       ARG  29   5.296   6.145   7.998
  222   2HB   ARG  29          3HB       ARG  29   6.575   5.047   7.521
  223   1HG   ARG  29          2HG       ARG  29   7.863   6.895   7.204
  224   2HG   ARG  29          3HG       ARG  29   6.929   7.174   5.747
  225   1HD   ARG  29          2HD       ARG  29   5.573   8.810   6.755
  226   2HD   ARG  29          3HD       ARG  29   5.778   8.147   8.364
  227    HE   ARG  29           HE       ARG  29   7.496  10.104   7.073
  228   1HH1  ARG  29          2HH2      ARG  29   7.502   7.469   9.443
  229   2HH1  ARG  29          1HH2      ARG  29   8.886   8.070  10.292
  230    HH2  ARG  29           HH1      ARG  29   9.939  10.087   9.541
  231    H    ALA  30           HN       ALA  30   5.723   7.184   4.137
  232    HA   ALA  30           HA       ALA  30   3.808   9.133   4.823
  233   1HB   ALA  30          1HB       ALA  30   5.493   8.663   2.332
  234   2HB   ALA  30          2HB       ALA  30   4.532  10.131   2.631
  235   3HB   ALA  30          3HB       ALA  30   5.884   9.718   3.711
  236    HA   PRO  31           HA       PRO  31   0.345   7.693   2.670
  237   1HB   PRO  31          2HB       PRO  31  -0.986  10.014   2.118
  238   2HB   PRO  31          3HB       PRO  31  -1.030   9.235   3.686
  239   1HG   PRO  31          2HG       PRO  31   0.447  11.659   2.862
  240   2HG   PRO  31          3HG       PRO  31   0.049  11.113   4.478
  241   1HD   PRO  31          2HD       PRO  31   2.602  10.926   3.184
  242   2HD   PRO  31          3HD       PRO  31   2.173  10.278   4.755
  243    H    ARG  32           HN       ARG  32  -0.701   7.309   0.662
  244    HA   ARG  32           HA       ARG  32   1.055   7.358  -1.411
  245   1HB   ARG  32          2HB       ARG  32  -1.999   7.415  -1.612
  246   2HB   ARG  32          3HB       ARG  32  -0.907   6.816  -2.845
  247   1HG   ARG  32          2HG       ARG  32  -0.327   5.537  -0.281
  248   2HG   ARG  32          3HG       ARG  32  -2.025   5.354  -0.674
  249   1HD   ARG  32          2HD       ARG  32  -1.492   3.715  -2.152
  250   2HD   ARG  32          3HD       ARG  32  -0.600   4.881  -3.110
  251    HE   ARG  32           HE       ARG  32   1.333   3.813  -2.381
  252   1HH1  ARG  32          2HH2      ARG  32  -1.085   3.557   0.196
  253   2HH1  ARG  32          1HH2      ARG  32  -0.038   2.679   1.261
  254    HH2  ARG  32           HH1      ARG  32   2.191   2.160   0.551
  255    H    LYS  33           HN       LYS  33   1.970   9.170  -2.341
  256    HA   LYS  33           HA       LYS  33   0.135  11.269  -3.203
  257   1HB   LYS  33          2HB       LYS  33   2.037  11.525  -1.049
  258   2HB   LYS  33          3HB       LYS  33   2.507  12.571  -2.372
  259   1HG   LYS  33          2HG       LYS  33   0.543  13.841  -2.264
  260   2HG   LYS  33          3HG       LYS  33  -0.411  12.517  -1.625
  261   1HD   LYS  33          2HD       LYS  33   1.296  12.802   0.458
  262   2HD   LYS  33          3HD       LYS  33   1.397  14.435  -0.171
  263   1HE   LYS  33          2HE       LYS  33  -1.357  13.259   0.102
  264   2HE   LYS  33          3HE       LYS  33  -0.522  13.661   1.588
  265   1HZ   LYS  33          1HZ       LYS  33  -1.107  15.522  -0.648
  266   2HZ   LYS  33          2HZ       LYS  33  -1.711  15.593   0.863
  267    H    LYS  34           HN       LYS  34   1.796  12.950  -4.515
  268    HA   LYS  34           HA       LYS  34   3.624  11.326  -6.086
  269   1HB   LYS  34          2HB       LYS  34   0.972  11.911  -6.958
  270   2HB   LYS  34          3HB       LYS  34   2.067  12.882  -7.921
  271   1HG   LYS  34          2HG       LYS  34   3.467  10.745  -8.267
  272   2HG   LYS  34          3HG       LYS  34   2.143   9.857  -7.539
  273   1HD   LYS  34          2HD       LYS  34   0.591  10.623  -9.286
  274   2HD   LYS  34          3HD       LYS  34   1.806  11.692  -9.956
  275   1HE   LYS  34          2HE       LYS  34   2.934   9.029  -9.797
  276   2HE   LYS  34          3HE       LYS  34   1.361   8.914 -10.562
  277   1HZ   LYS  34          1HZ       LYS  34   2.029  10.333 -12.279
  278   2HZ   LYS  34          2HZ       LYS  34   3.252  11.002 -11.437
  279    H    GLY  35           HN       GLY  35   4.498  13.059  -4.224
  280   1HA   GLY  35          1HA       GLY  35   4.793  15.705  -5.404
  281   2HA   GLY  35          2HA       GLY  35   5.339  15.167  -3.828
  282    H    CYS  36           HN       CYS  36   6.415  16.158  -6.818
  283    HA   CYS  36           HA       CYS  36   8.377  14.347  -7.506
  284   1HB   CYS  36          2HB       CYS  36   7.817  16.070  -9.048
  285   2HB   CYS  36          3HB       CYS  36   8.162  17.341  -7.891
  286    H    TRP  37           HN       TRP  37  10.186  13.684  -6.397
  287    HA   TRP  37           HA       TRP  37  10.932  15.123  -4.010
  288   1HB   TRP  37          2HB       TRP  37  12.654  12.911  -4.734
  289   2HB   TRP  37          3HB       TRP  37  11.685  13.166  -3.297
  290    HD1  TRP  37           HD1      TRP  37   8.927  12.445  -3.656
  291    HE1  TRP  37           HE1      TRP  37   7.850  10.392  -4.917
  292    HE3  TRP  37           HE3      TRP  37  12.975  11.433  -6.561
  293    HZ2  TRP  37           HZ2      TRP  37   8.791   8.615  -6.942
  294    HZ3  TRP  37           HZ3      TRP  37  12.814   9.522  -8.154
  295    HH2  TRP  37           HH2      TRP  37  10.813   8.135  -8.371
  296    H    LYS  38           HN       LYS  38  11.226  16.639  -6.434
  297    HA   LYS  38           HA       LYS  38  14.142  16.892  -6.445
  298   1HB   LYS  38          2HB       LYS  38  12.730  15.823  -8.579
  299   2HB   LYS  38          3HB       LYS  38  12.892  17.510  -9.025
  300   1HG   LYS  38          2HG       LYS  38  15.280  15.949  -7.975
  301   2HG   LYS  38          3HG       LYS  38  14.821  15.849  -9.663
  302   1HD   LYS  38          2HD       LYS  38  16.140  17.698  -9.925
  303   2HD   LYS  38          3HD       LYS  38  14.765  18.580  -9.288
  304   1HE   LYS  38          2HE       LYS  38  15.676  18.429  -6.994
  305   2HE   LYS  38          3HE       LYS  38  17.001  17.427  -7.553
  306   1HZ   LYS  38          1HZ       LYS  38  18.000  19.224  -8.603
  307   2HZ   LYS  38          2HZ       LYS  38  16.620  20.066  -8.796
  308    H    CYS  39           HN       CYS  39  10.943  18.360  -7.307
  309    HA   CYS  39           HA       CYS  39  12.139  20.951  -6.660
  310   1HB   CYS  39          2HB       CYS  39  10.176  21.899  -7.925
  311   2HB   CYS  39          3HB       CYS  39  11.327  21.003  -8.895
  312    H    GLY  40           HN       GLY  40   9.599  18.547  -5.980
  313   1HA   GLY  40          1HA       GLY  40   8.621  18.305  -3.881
  314   2HA   GLY  40          2HA       GLY  40   8.946  19.988  -3.514
  315    H    LYS  41           HN       LYS  41   7.670  19.221  -6.713
  316    HA   LYS  41           HA       LYS  41   5.196  20.559  -5.956
  317   1HB   LYS  41          2HB       LYS  41   6.911  20.797  -8.143
  318   2HB   LYS  41          3HB       LYS  41   5.539  19.913  -8.782
  319   1HG   LYS  41          2HG       LYS  41   4.347  21.888  -7.175
  320   2HG   LYS  41          3HG       LYS  41   5.706  22.723  -7.903
  321   1HD   LYS  41          2HD       LYS  41   4.905  22.427 -10.093
  322   2HD   LYS  41          3HD       LYS  41   3.987  20.992  -9.681
  323   1HE   LYS  41          2HE       LYS  41   2.177  22.393  -9.691
  324   2HE   LYS  41          3HE       LYS  41   2.728  22.866  -8.096
  325   1HZ   LYS  41          1HZ       LYS  41   3.069  24.301 -10.633
  326   2HZ   LYS  41          2HZ       LYS  41   2.649  24.893  -9.174
  327    H    GLU  42           HN       GLU  42   3.285  19.503  -5.733
  328    HA   GLU  42           HA       GLU  42   3.370  16.661  -6.127
  329   1HB   GLU  42          2HB       GLU  42   1.239  16.648  -4.899
  330   2HB   GLU  42          3HB       GLU  42   2.430  17.600  -4.037
  331   1HG   GLU  42          2HG       GLU  42   1.208  19.469  -5.751
  332   2HG   GLU  42          3HG       GLU  42  -0.122  18.448  -5.245
  333    HE2  GLU  42           HE2      GLU  42  -0.799  19.232  -2.755
  334    H    GLY  43           HN       GLY  43   2.784  15.758  -8.049
  335   1HA   GLY  43          1HA       GLY  43   0.510  15.767  -9.356
  336   2HA   GLY  43          2HA       GLY  43   1.122  17.323  -9.881
  337    H    HIS  44           HN       HIS  44   3.826  16.983 -10.238
  338    HA   HIS  44           HA       HIS  44   3.845  15.022 -12.390
  339   1HB   HIS  44          2HB       HIS  44   5.571  16.296 -13.387
  340   2HB   HIS  44          3HB       HIS  44   4.349  17.433 -12.851
  341    HD1  HIS  44           HD1      HIS  44   5.017  19.180 -11.092
  342    HD2  HIS  44           HD2      HIS  44   8.008  16.336 -11.843
  343    HE1  HIS  44           HE1      HIS  44   7.125  20.040  -9.940
  344    H    GLN  45           HN       GLN  45   6.445  14.362 -12.728
  345    HA   GLN  45           HA       GLN  45   7.327  13.447 -10.112
  346   1HB   GLN  45          2HB       GLN  45   7.728  11.204 -10.936
  347   2HB   GLN  45          3HB       GLN  45   6.064  11.618 -11.293
  348   1HG   GLN  45          2HG       GLN  45   7.390  12.530 -13.568
  349   2HG   GLN  45          3HG       GLN  45   8.319  11.103 -13.151
  350   1HE2  GLN  45          2HE2      GLN  45   6.068   9.003 -14.705
  351   2HE2  GLN  45          1HE2      GLN  45   7.695   9.492 -14.365
  352    H    MET  46           HN       MET  46   9.684  12.645 -10.196
  353    HA   MET  46           HA       MET  46  11.284  14.620 -11.139
  354   1HB   MET  46          2HB       MET  46  11.559  11.912 -10.007
  355   2HB   MET  46          3HB       MET  46  12.855  12.235 -11.141
  356   1HG   MET  46          2HG       MET  46  13.266  14.445  -9.919
  357   2HG   MET  46          3HG       MET  46  12.098  13.933  -8.717
  358   1HE   MET  46          2HE       MET  46  15.274  13.962 -10.186
  359   2HE   MET  46          3HE       MET  46  16.349  13.272  -8.947
  360   3HE   MET  46          1HE       MET  46  15.759  12.252 -10.280
  361    H    LYS  47           HN       LYS  47  10.463  11.465 -12.706
  362    HA   LYS  47           HA       LYS  47  12.194  11.651 -14.849
  363   1HB   LYS  47          2HB       LYS  47  11.038   9.607 -14.314
  364   2HB   LYS  47          3HB       LYS  47   9.473  10.348 -14.581
  365   1HG   LYS  47          2HG       LYS  47  10.225  10.805 -16.999
  366   2HG   LYS  47          3HG       LYS  47  11.625   9.804 -16.674
  367   1HD   LYS  47          2HD       LYS  47  10.239   8.139 -17.465
  368   2HD   LYS  47          3HD       LYS  47   9.720   8.095 -15.791
  369   1HE   LYS  47          2HE       LYS  47   7.624   8.764 -16.357
  370   2HE   LYS  47          3HE       LYS  47   8.244  10.177 -17.187
  371   1HZ   LYS  47          1HZ       LYS  47   7.013   8.431 -18.577
  372   2HZ   LYS  47          2HZ       LYS  47   8.415   8.984 -19.192
  373    H    ASP  48           HN       ASP  48   9.076  13.256 -14.208
  374    HA   ASP  48           HA       ASP  48   9.387  14.561 -16.798
  375   1HB   ASP  48          2HB       ASP  48   6.978  13.727 -15.183
  376   2HB   ASP  48          3HB       ASP  48   6.834  15.162 -16.178
  377    HD2  ASP  48           HD2      ASP  48   5.788  12.132 -17.956
  378    H    CYS  49           HN       CYS  49  10.808  15.306 -14.338
  379    HA   CYS  49           HA       CYS  49   9.525  17.205 -12.814
  380   1HB   CYS  49          2HB       CYS  49  11.746  16.178 -12.314
  381   2HB   CYS  49          3HB       CYS  49  12.465  17.163 -13.572
  382    H    THR  50           HN       THR  50   8.466  19.003 -13.582
  383    HA   THR  50           HA       THR  50   9.222  20.143 -16.117
  384    HB   THR  50           HB       THR  50   6.841  19.843 -15.362
  385    HG1  THR  50           HG1      THR  50   7.796  22.616 -15.472
  386   1HG2  THR  50          2HG2      THR  50   7.620  22.026 -13.356
  387   2HG2  THR  50          3HG2      THR  50   5.954  21.508 -13.709
  388   3HG2  THR  50          1HG2      THR  50   7.092  20.379 -12.937
  389    H    GLU  51           HN       GLU  51  10.707  20.287 -13.203
  390    HA   GLU  51           HA       GLU  51  10.975  23.100 -12.983
  391   1HB   GLU  51          2HB       GLU  51  11.178  21.404 -11.084
  392   2HB   GLU  51          3HB       GLU  51  12.735  20.945 -11.742
  393   1HG   GLU  51          2HG       GLU  51  13.309  22.570 -10.125
  394   2HG   GLU  51          3HG       GLU  51  13.332  23.485 -11.620
  395    HE2  GLU  51           HE2      GLU  51  12.752  24.214  -8.894
  396    H    ARG  52           HN       ARG  52  13.293  20.421 -13.835
  397    HA   ARG  52           HA       ARG  52  14.263  21.756 -16.047
  398   1HB   ARG  52          2HB       ARG  52  15.220  23.127 -13.972
  399   2HB   ARG  52          3HB       ARG  52  16.351  21.793 -13.844
  400   1HG   ARG  52          2HG       ARG  52  16.152  22.621 -16.628
  401   2HG   ARG  52          3HG       ARG  52  16.473  24.025 -15.630
  402   1HD   ARG  52          2HD       ARG  52  18.474  23.020 -14.692
  403   2HD   ARG  52          3HD       ARG  52  18.073  21.444 -15.344
  404    HE   ARG  52           HE       ARG  52  18.342  23.534 -17.391
  405   1HH1  ARG  52          2HH2      ARG  52  20.052  21.060 -15.517
  406   2HH1  ARG  52          1HH2      ARG  52  21.350  20.918 -16.656
  407    HH2  ARG  52           HH1      ARG  52  21.329  22.271 -18.633
  408    H    GLN  53           HN       GLN  53  15.541  19.823 -13.230
  409    HA   GLN  53           HA       GLN  53  17.148  18.177 -14.722
  410   1HB   GLN  53          2HB       GLN  53  16.040  18.238 -11.996
  411   2HB   GLN  53          3HB       GLN  53  16.273  16.600 -12.571
  412   1HG   GLN  53          2HG       GLN  53  18.363  17.172 -11.588
  413   2HG   GLN  53          3HG       GLN  53  18.641  17.346 -13.309
  414   1HE2  GLN  53          2HE2      GLN  53  19.976  20.297 -11.397
  415   2HE2  GLN  53          1HE2      GLN  53  20.141  18.577 -11.274
  416    H    ALA  54           HN       ALA  54  16.809  15.695 -14.972
  417    HA   ALA  54           HA       ALA  54  14.229  14.641 -15.139
  418   1HB   ALA  54          2HB       ALA  54  14.213  16.415 -17.018
  419   2HB   ALA  54          3HB       ALA  54  15.339  15.335 -17.873
  420   3HB   ALA  54          1HB       ALA  54  13.708  14.763 -17.445
  421    H    ASN  55           HN       ASN  55  15.202  12.838 -14.186
  422    HA   ASN  55           HA       ASN  55  17.591  11.779 -14.696
  423   1HB   ASN  55          2HB       ASN  55  15.326  10.980 -13.304
  424   2HB   ASN  55          3HB       ASN  55  15.412   9.736 -14.536
  425   1HD2  ASN  55          2HD2      ASN  55  18.195  10.037 -11.520
  426   2HD2  ASN  55          1HD2      ASN  55  17.023  11.270 -11.845
  427   1H5*    G 201          1H5*        G 201  -0.971 -18.282  -5.747
  428   2H5*    G 201          2H5*        G 201  -0.759 -17.350  -4.265
  429    H4*    G 201           H4*        G 201   0.052 -19.396  -3.630
  430    H3*    G 201           H3*        G 201   2.633 -18.332  -4.822
  431   1H2*    G 201          1H2*        G 201   3.549 -19.679  -3.110
  432   2HO*    G 201          2HO*        G 201   1.365 -20.352  -1.694
  433    H1*    G 201           H1*        G 201   1.591 -21.681  -3.343
  434    H8     G 201           H8         G 201   3.651 -19.720  -5.929
  435    H1     G 201           H1         G 201   4.762 -26.092  -5.704
  436   1H2     G 201          1H2         G 201   3.527 -26.957  -4.296
  437   2H2     G 201          2H2         G 201   2.365 -26.085  -3.322
  438   1H5*    G 202          1H5*        G 202   2.132 -17.027  -1.030
  439   2H5*    G 202          2H5*        G 202   2.738 -15.550  -0.279
  440    H4*    G 202           H4*        G 202   3.699 -17.130   1.060
  441    H3*    G 202           H3*        G 202   5.654 -16.484  -1.120
  442   1H2*    G 202          1H2*        G 202   7.197 -18.058  -0.270
  443   2HO*    G 202          2HO*        G 202   7.081 -18.409   1.888
  444    H1*    G 202           H1*        G 202   5.292 -20.078   0.098
  445    H8     G 202           H8         G 202   5.281 -17.746  -2.941
  446    H1     G 202           H1         G 202   7.911 -23.577  -3.924
  447   1H2     G 202          1H2         G 202   7.946 -24.625  -2.149
  448   2H2     G 202          2H2         G 202   7.351 -24.015  -0.620
  449   1H5*    A 203          1H5*        A 203   7.998 -16.637   2.055
  450   2H5*    A 203          2H5*        A 203   8.717 -15.074   2.443
  451    H4*    A 203           H4*        A 203  10.530 -16.514   2.461
  452    H3*    A 203           H3*        A 203  10.369 -15.030  -0.126
  453   1H2*    A 203          1H2*        A 203  12.163 -16.218  -1.054
  454   2HO*    A 203          2HO*        A 203  13.035 -17.750   0.939
  455    H1*    A 203           H1*        A 203  11.389 -18.725   0.017
  456    H8     A 203           H8         A 203   8.891 -16.344  -1.624
  457   1H6     A 203          1H6         A 203   9.540 -19.916  -6.700
  458   2H6     A 203          2H6         A 203   8.667 -18.559  -6.023
  459    H2     A 203           H2         A 203  12.381 -21.367  -3.607
  460   1H5*    C 204          1H5*        C 204  14.457 -15.229   1.088
  461   2H5*    C 204          2H5*        C 204  15.290 -13.725   0.693
  462    H4*    C 204           H4*        C 204  16.423 -15.547  -0.371
  463    H3*    C 204           H3*        C 204  14.948 -13.687  -2.210
  464   1H2*    C 204          1H2*        C 204  15.622 -14.915  -4.083
  465   2HO*    C 204          2HO*        C 204  17.593 -15.923  -3.946
  466    H1*    C 204           H1*        C 204  15.388 -17.451  -2.790
  467   1H4     C 204          1H4         C 204  10.209 -17.273  -6.490
  468   2H4     C 204          2H4         C 204   9.548 -15.966  -5.534
  469    H5     C 204           H5         C 204  10.691 -14.936  -3.742
  470    H6     C 204           H6         C 204  12.771 -14.907  -2.413
  471   1H5*    U 205          1H5*        U 205  19.325 -13.303  -2.517
  472   2H5*    U 205          2H5*        U 205  20.026 -11.868  -3.264
  473    H4*    U 205           H4*        U 205  20.503 -13.912  -4.530
  474    H3*    U 205           H3*        U 205  19.051 -11.639  -5.770
  475   1H2*    U 205          1H2*        U 205  18.377 -12.816  -7.637
  476   2HO*    U 205          2HO*        U 205  20.438 -14.701  -6.943
  477    H1*    U 205           H1*        U 205  18.367 -15.399  -6.284
  478    H3     U 205           H3         U 205  14.280 -15.480  -8.211
  479    H5     U 205           H5         U 205  13.990 -12.372  -5.418
  480    H6     U 205           H6         U 205  16.390 -12.652  -5.005
  481   1H5*    A 206          1H5*        A 206  21.442 -11.909  -8.776
  482   2H5*    A 206          2H5*        A 206  21.970 -10.340  -9.382
  483    H4*    A 206           H4*        A 206  20.327 -11.270 -10.871
  484    H3*    A 206           H3*        A 206  19.017  -9.032  -9.278
  485   1H2*    A 206          1H2*        A 206  17.511  -9.003 -11.036
  486   2HO*    A 206          2HO*        A 206  19.404 -10.347 -12.696
  487    H1*    A 206           H1*        A 206  17.939 -11.734 -11.831
  488    H8     A 206           H8         A 206  17.059 -10.753  -8.257
  489   1H6     A 206          1H6         A 206  11.192 -12.254  -9.772
  490   2H6     A 206          2H6         A 206  12.235 -11.762  -8.455
  491    H2     A 206           H2         A 206  13.691 -12.543 -13.435
  492   1H5*    G 207          1H5*        G 207  20.120  -7.650 -12.771
  493   2H5*    G 207          2H5*        G 207  20.155  -5.942 -13.209
  494    H4*    G 207           H4*        G 207  18.264  -7.017 -14.245
  495    H3*    G 207           H3*        G 207  17.431  -5.167 -11.985
  496   1H2*    G 207          1H2*        G 207  15.266  -5.421 -12.747
  497   2HO*    G 207          2HO*        G 207  15.136  -6.035 -15.134
  498    H1*    G 207           H1*        G 207  15.746  -8.005 -13.986
  499    H8     G 207           H8         G 207  16.346  -7.368 -10.290
  500    H1     G 207           H1         G 207  10.555  -9.888 -11.705
  501   1H2     G 207          1H2         G 207  10.313  -9.950 -13.752
  502   2H2     G 207          2H2         G 207  11.501  -9.400 -14.913
  503   1H5*    C 208          1H5*        C 208  17.830  -2.010 -15.577
  504   2H5*    C 208          2H5*        C 208  17.399  -0.465 -14.843
  505    H4*    C 208           H4*        C 208  15.758  -1.429 -16.509
  506    H3*    C 208           H3*        C 208  15.033  -0.422 -13.798
  507   1H2*    C 208          1H2*        C 208  12.825  -1.153 -13.953
  508   2HO*    C 208          2HO*        C 208  13.414  -1.567 -16.741
  509    H1*    C 208           H1*        C 208  13.469  -3.538 -15.412
  510   1H4     C 208          1H4         C 208  12.070  -5.738  -9.602
  511   2H4     C 208          2H4         C 208  13.500  -4.970  -8.949
  512    H5     C 208           H5         C 208  14.949  -3.597 -10.212
  513    H6     C 208           H6         C 208  15.385  -2.611 -12.433
  514   1H5*    G 209          1H5*        G 209  12.704   0.999 -16.439
  515   2H5*    G 209          2H5*        G 209  11.752   2.471 -16.638
  516    H4*    G 209           H4*        G 209  10.469   0.995 -15.309
  517    H3*    G 209           H3*        G 209  11.731   2.819 -13.234
  518   1H2*    G 209          1H2*        G 209   9.702   2.394 -12.138
  519   2HO*    G 209          2HO*        G 209   7.895   1.700 -13.574
  520    H1*    G 209           H1*        G 209   9.356  -0.204 -12.954
  521    H8     G 209           H8         G 209  12.766   1.431 -12.263
  522    H1     G 209           H1         G 209  10.678  -2.716  -7.755
  523   1H2     G 209          1H2         G 209   8.821  -3.436  -8.289
  524   2H2     G 209          2H2         G 209   7.959  -2.984  -9.742
  525   1H5*    G 210          1H5*        G 210   9.686   7.184 -12.961
  526   2H5*    G 210          2H5*        G 210  10.671   6.896 -11.527
  527    H4*    G 210           H4*        G 210   8.573   5.308 -10.947
  528    H3*    G 210           H3*        G 210   7.544   6.923 -13.106
  529   1H2*    G 210          1H2*        G 210   6.691   8.607 -11.816
  530   2HO*    G 210          2HO*        G 210   4.726   7.696 -11.678
  531    H1*    G 210           H1*        G 210   6.791   7.494  -9.147
  532    H8     G 210           H8         G 210   9.713   8.701 -11.314
  533    H1     G 210           H1         G 210   7.933  12.710  -6.555
  534   1H2     G 210          1H2         G 210   6.279  11.945  -5.591
  535   2H2     G 210          2H2         G 210   5.492  10.439  -6.010
  536   1H5*    A 211          1H5*        A 211   7.999   3.433 -11.204
  537   2H5*    A 211          2H5*        A 211   7.836   1.711 -11.547
  538    H4*    A 211           H4*        A 211   6.690   1.829  -9.585
  539    H3*    A 211           H3*        A 211   4.729   2.197 -11.803
  540   1H2*    A 211          1H2*        A 211   3.701   3.639 -10.234
  541   2HO*    A 211          2HO*        A 211   3.003   1.108  -9.128
  542    H1*    A 211           H1*        A 211   4.695   1.758  -8.034
  543    H8     A 211           H8         A 211   4.885   5.533  -8.690
  544   1H6     A 211          1H6         A 211   2.096   6.130  -3.138
  545   2H6     A 211          2H6         A 211   2.791   7.014  -4.477
  546    H2     A 211           H2         A 211   2.460   1.796  -4.053
  547   1H5*    G 212          1H5*        G 212   2.415  -2.099  -9.662
  548   2H5*    G 212          2H5*        G 212   3.516  -0.820  -9.153
  549    H4*    G 212           H4*        G 212   4.128  -3.783  -9.233
  550    H3*    G 212           H3*        G 212   3.152  -2.016  -7.070
  551   1H2*    G 212          1H2*        G 212   4.780  -2.691  -5.507
  552   2HO*    G 212          2HO*        G 212   5.493  -4.598  -7.546
  553    H1*    G 212           H1*        G 212   6.903  -2.579  -7.393
  554    H8     G 212           H8         G 212   4.109  -0.167  -6.319
  555    H1     G 212           H1         G 212  10.152   1.872  -5.220
  556   1H2     G 212          1H2         G 212  11.491   0.465  -5.915
  557   2H2     G 212          2H2         G 212  11.043  -1.042  -6.680
  558   1H5*    G 213          1H5*        G 213   2.301  -6.591  -9.076
  559   2H5*    G 213          2H5*        G 213   3.793  -5.688  -9.332
  560    H4*    G 213           H4*        G 213   1.734  -6.194 -11.489
  561    H3*    G 213           H3*        G 213   3.723  -8.035 -10.459
  562   1H2*    G 213          1H2*        G 213   5.158  -8.146 -12.277
  563   2HO*    G 213          2HO*        G 213   4.154  -8.146 -14.228
  564    H1*    G 213           H1*        G 213   4.978  -5.473 -13.109
  565    H8     G 213           H8         G 213   5.370  -6.842  -9.537
  566    H1     G 213           H1         G 213  10.606  -3.978 -12.037
  567   1H2     G 213          1H2         G 213  10.198  -3.351 -13.959
  568   2H2     G 213          2H2         G 213   8.664  -3.569 -14.772
  569   1H5*    C 214          1H5*        C 214   2.165  -9.583 -14.052
  570   2H5*    C 214          2H5*        C 214   1.857 -11.316 -14.158
  571    H4*    C 214           H4*        C 214   3.410 -10.821 -15.855
  572    H3*    C 214           H3*        C 214   4.636 -12.198 -13.495
  573   1H2*    C 214          1H2*        C 214   6.771 -12.163 -14.503
  574   2HO*    C 214          2HO*        C 214   5.882 -12.680 -16.576
  575    H1*    C 214           H1*        C 214   6.565  -9.479 -15.332
  576   1H4     C 214          1H4         C 214   9.804  -8.929  -9.884
  577   2H4     C 214          2H4         C 214   8.421  -9.496  -8.975
  578    H5     C 214           H5         C 214   6.397 -10.206  -9.963
  579    H6     C 214           H6         C 214   5.190 -10.549 -12.090
  580   1H5*    U 215          1H5*        U 215   5.281 -14.556 -16.898
  581   2H5*    U 215          2H5*        U 215   5.486 -16.298 -16.717
  582    H4*    U 215           H4*        U 215   7.527 -15.070 -17.457
  583    H3*    U 215           H3*        U 215   7.531 -16.804 -15.009
  584   1H2*    U 215          1H2*        U 215   9.616 -16.090 -14.408
  585   2HO*    U 215          2HO*        U 215   9.956 -15.808 -17.256
  586    H1*    U 215           H1*        U 215   9.677 -13.732 -16.141
  587    H3     U 215           H3         U 215  11.312 -11.978 -12.306
  588    H5     U 215           H5         U 215   7.355 -12.948 -11.342
  589    H6     U 215           H6         U 215   7.187 -14.026 -13.538
  590   1H5*    A 216          1H5*        A 216  10.180 -17.996 -17.622
  591   2H5*    A 216          2H5*        A 216  10.722 -19.623 -18.033
  592    H4*    A 216           H4*        A 216  12.526 -18.541 -16.950
  593    H3*    A 216           H3*        A 216  11.151 -20.544 -15.159
  594   1H2*    A 216          1H2*        A 216  12.631 -20.052 -13.468
  595   2HO*    A 216          2HO*        A 216  14.351 -20.655 -14.900
  596    H1*    A 216           H1*        A 216  13.262 -17.396 -14.589
  597    H8     A 216           H8         A 216   9.862 -18.240 -13.172
  598   1H6     A 216          1H6         A 216  11.827 -15.535  -7.902
  599   2H6     A 216          2H6         A 216  10.438 -16.233  -8.705
  600    H2     A 216           H2         A 216  15.270 -15.794 -10.699
  601   1H5*    G 217          1H5*        G 217  14.897 -22.401 -15.697
  602   2H5*    G 217          2H5*        G 217  14.870 -24.067 -15.121
  603    H4*    G 217           H4*        G 217  15.913 -22.512 -13.524
  604    H3*    G 217           H3*        G 217  13.329 -23.771 -12.533
  605   1H2*    G 217          1H2*        G 217  14.065 -23.152 -10.395
  606   2HO*    G 217          2HO*        G 217  16.147 -24.056 -10.750
  607    H1*    G 217           H1*        G 217  15.334 -20.755 -11.406
  608    H8     G 217           H8         G 217  11.677 -21.557 -12.063
  609    H1     G 217           H1         G 217  12.743 -17.690  -6.984
  610   1H2     G 217          1H2         G 217  14.772 -17.547  -6.643
  611   2H2     G 217          2H2         G 217  16.001 -18.354  -7.590
  612   1H5*    U 218          1H5*        U 218  16.464 -26.013 -11.010
  613   2H5*    U 218          2H5*        U 218  16.194 -27.618 -10.330
  614    H4*    U 218           H4*        U 218  16.637 -26.047  -8.560
  615    H3*    U 218           H3*        U 218  13.707 -26.857  -8.605
  616   1H2*    U 218          1H2*        U 218  13.607 -25.985  -6.444
  617   2HO*    U 218          2HO*        U 218  15.518 -26.068  -5.192
  618    H1*    U 218           H1*        U 218  15.543 -23.939  -6.895
  619    H3     U 218           H3         U 218  11.982 -21.336  -6.012
  620    H5     U 218           H5         U 218  10.877 -23.277  -9.553
  621    H6     U 218           H6         U 218  12.938 -24.592  -9.361
  622   1H5*    C 219          1H5*        C 219  15.090 -27.998  -4.443
  623   2H5*    C 219          2H5*        C 219  14.559 -29.678  -4.524
  624    H4*    C 219           H4*        C 219  13.589 -28.825  -2.574
  625    H3*    C 219           H3*        C 219  11.632 -29.020  -4.831
  626   1H2*    C 219          1H2*        C 219   9.900 -28.125  -3.504
  627   2HO*    C 219          2HO*        C 219  11.844 -28.335  -1.388
  628    H1*    C 219           H1*        C 219  11.572 -26.107  -2.394
  629   1H4     C 219          1H4         C 219   8.277 -22.908  -6.801
  630   2H4     C 219          2H4         C 219   9.056 -23.819  -8.076
  631    H5     C 219           H5         C 219  10.577 -25.584  -7.690
  632    H6     C 219           H6         C 219  11.735 -26.923  -5.970
  633   1H5*    C 220          1H5*        C 220   9.912 -31.412  -1.887
  634   2H5*    C 220          2H5*        C 220   9.762 -33.116  -2.316
  635    H4*    C 220           H4*        C 220   7.610 -32.653  -1.717
  636    H3*    C 220           H3*        C 220   7.856 -32.241  -4.667
  637   1H2*    C 220          1H2*        C 220   5.632 -31.460  -4.835
  638   2HO*    C 220          2HO*        C 220   5.553 -32.269  -2.071
  639    H1*    C 220           H1*        C 220   5.841 -29.753  -2.607
  640   1H4     C 220          1H4         C 220   6.996 -25.761  -7.423
  641   2H4     C 220          2H4         C 220   8.471 -26.616  -7.813
  642    H5     C 220           H5         C 220   9.196 -28.568  -6.697
  643    H6     C 220           H6         C 220   8.676 -30.196  -4.915
   
  No H/Q in entry =         643
  Start of MODEL    9
    1    H    MET   1           HN       MET   1   4.985 -10.228   7.029
    2    HA   MET   1           HA       MET   1   5.817 -12.190   6.147
    3   1HB   MET   1          2HB       MET   1   3.949 -13.802   6.560
    4   2HB   MET   1          3HB       MET   1   3.925 -12.518   7.752
    5   1HG   MET   1          2HG       MET   1   2.125 -11.351   6.562
    6   2HG   MET   1          3HG       MET   1   2.239 -12.455   5.205
    7   1HE   MET   1          3HE       MET   1   0.834 -11.357   8.090
    8   2HE   MET   1          1HE       MET   1  -0.630 -12.367   8.125
    9   3HE   MET   1          2HE       MET   1   0.694 -12.680   9.273
   10    H    GLN   2           HN       GLN   2   3.223 -10.702   4.218
   11    HA   GLN   2           HA       GLN   2   3.793 -12.601   2.092
   12   1HB   GLN   2          2HB       GLN   2   1.374 -11.624   3.060
   13   2HB   GLN   2          3HB       GLN   2   1.630 -10.632   1.639
   14   1HG   GLN   2          2HG       GLN   2   2.304 -13.076   0.611
   15   2HG   GLN   2          3HG       GLN   2   1.162 -13.585   1.839
   16   1HE2  GLN   2          2HE2      GLN   2  -0.562 -12.899  -1.430
   17   2HE2  GLN   2          1HE2      GLN   2   0.797 -13.850  -0.932
   18    H    LYS   3           HN       LYS   3   3.376 -11.326  -0.220
   19    HA   LYS   3           HA       LYS   3   4.039  -9.750  -1.643
   20   1HB   LYS   3          2HB       LYS   3   3.494  -8.202   0.472
   21   2HB   LYS   3          3HB       LYS   3   5.229  -7.953   0.425
   22   1HG   LYS   3          2HG       LYS   3   4.119  -7.821  -2.277
   23   2HG   LYS   3          3HG       LYS   3   3.265  -6.714  -1.221
   24   1HD   LYS   3          2HD       LYS   3   5.901  -6.282  -0.463
   25   2HD   LYS   3          3HD       LYS   3   6.081  -6.627  -2.171
   26   1HE   LYS   3          2HE       LYS   3   3.805  -4.828  -1.668
   27   2HE   LYS   3          3HE       LYS   3   5.298  -4.169  -1.030
   28   1HZ   LYS   3          1HZ       LYS   3   5.801  -3.614  -3.134
   29   2HZ   LYS   3          2HZ       LYS   3   5.928  -5.188  -3.531
   30    H    GLY   4           HN       GLY   4   5.473 -11.799  -1.862
   31   1HA   GLY   4          1HA       GLY   4   8.073 -11.890  -0.870
   32   2HA   GLY   4          2HA       GLY   4   7.495 -12.654  -2.336
   33    H    ASN   5           HN       ASN   5   6.616  -9.966  -3.490
   34    HA   ASN   5           HA       ASN   5   8.869  -9.480  -4.968
   35   1HB   ASN   5          2HB       ASN   5   6.229  -8.654  -5.033
   36   2HB   ASN   5          3HB       ASN   5   7.015  -7.161  -4.560
   37   1HD2  ASN   5          2HD2      ASN   5   8.133  -6.364  -7.724
   38   2HD2  ASN   5          1HD2      ASN   5   7.727  -5.909  -6.102
   39    H    PHE   6           HN       PHE   6   8.030  -8.556  -1.725
   40    HA   PHE   6           HA       PHE   6   9.210  -6.056  -1.504
   41   1HB   PHE   6          2HB       PHE   6   7.804  -7.046   0.251
   42   2HB   PHE   6          3HB       PHE   6   8.813  -8.476   0.337
   43    HD1  PHE   6           HD1      PHE   6  10.959  -8.418   1.515
   44    HD2  PHE   6           HD2      PHE   6   8.436  -5.008   1.391
   45    HE1  PHE   6           HE1      PHE   6  12.258  -7.389   3.400
   46    HE2  PHE   6           HE2      PHE   6   9.734  -3.979   3.277
   47    HZ   PHE   6           HZ       PHE   6  11.629  -5.182   4.259
   48    H    ARG   7           HN       ARG   7  10.650  -9.127  -2.169
   49    HA   ARG   7           HA       ARG   7  13.009  -8.906  -0.785
   50   1HB   ARG   7          2HB       ARG   7  12.264 -10.235  -3.423
   51   2HB   ARG   7          3HB       ARG   7  13.899 -10.338  -2.804
   52   1HG   ARG   7          2HG       ARG   7  13.137 -11.425  -0.753
   53   2HG   ARG   7          3HG       ARG   7  11.458 -11.127  -1.153
   54   1HD   ARG   7          2HD       ARG   7  13.170 -12.712  -3.087
   55   2HD   ARG   7          3HD       ARG   7  12.552 -13.503  -1.651
   56    HE   ARG   7           HE       ARG   7  10.325 -13.264  -2.467
   57   1HH1  ARG   7          2HH2      ARG   7  12.654 -11.697  -4.630
   58   2HH1  ARG   7          1HH2      ARG   7  11.525 -11.538  -5.934
   59    HH2  ARG   7           HH1      ARG   7   9.287 -12.344  -5.652
   60    H    ASN   8           HN       ASN   8  11.747  -6.908  -3.263
   61    HA   ASN   8           HA       ASN   8  13.921  -6.354  -4.815
   62   1HB   ASN   8          2HB       ASN   8  12.803  -4.151  -5.234
   63   2HB   ASN   8          3HB       ASN   8  11.648  -5.468  -5.269
   64   1HD2  ASN   8          2HD2      ASN   8  10.439  -2.530  -3.213
   65   2HD2  ASN   8          1HD2      ASN   8  11.141  -2.696  -4.788
   66    H    GLN   9           HN       GLN   9  12.964  -5.228  -1.540
   67    HA   GLN   9           HA       GLN   9  14.697  -3.097  -1.329
   68   1HB   GLN   9          2HB       GLN   9  13.260  -4.902   0.595
   69   2HB   GLN   9          3HB       GLN   9  14.539  -3.897   1.248
   70   1HG   GLN   9          2HG       GLN   9  13.332  -1.969  -0.147
   71   2HG   GLN   9          3HG       GLN   9  11.954  -3.050  -0.079
   72   1HE2  GLN   9          2HE2      GLN   9  13.574  -1.609   3.469
   73   2HE2  GLN   9          1HE2      GLN   9  14.567  -1.967   2.095
   74    H    ARG  10           HN       ARG  10  15.423  -6.385  -1.778
   75    HA   ARG  10           HA       ARG  10  17.518  -6.798  -0.070
   76   1HB   ARG  10          2HB       ARG  10  18.250  -8.524  -1.699
   77   2HB   ARG  10          3HB       ARG  10  16.508  -8.560  -1.511
   78   1HG   ARG  10          2HG       ARG  10  16.460  -6.930  -3.568
   79   2HG   ARG  10          3HG       ARG  10  18.121  -7.427  -3.826
   80   1HD   ARG  10          2HD       ARG  10  17.522  -9.682  -4.267
   81   2HD   ARG  10          3HD       ARG  10  15.985  -9.544  -3.435
   82    HE   ARG  10           HE       ARG  10  16.277  -7.816  -5.810
   83   1HH1  ARG  10          2HH2      ARG  10  15.106 -10.908  -4.537
   84   2HH1  ARG  10          1HH2      ARG  10  14.013 -11.177  -5.853
   85    HH2  ARG  10           HH1      ARG  10  13.869  -9.555  -7.611
   86    H    LYS  11           HN       LYS  11  17.204  -4.537  -2.659
   87    HA   LYS  11           HA       LYS  11  20.124  -4.290  -2.858
   88   1HB   LYS  11          2HB       LYS  11  19.017  -4.836  -4.981
   89   2HB   LYS  11          3HB       LYS  11  17.973  -3.439  -4.820
   90   1HG   LYS  11          2HG       LYS  11  20.453  -2.270  -4.484
   91   2HG   LYS  11          3HG       LYS  11  20.853  -3.575  -5.582
   92   1HD   LYS  11          2HD       LYS  11  18.556  -1.622  -6.065
   93   2HD   LYS  11          3HD       LYS  11  20.169  -1.388  -6.708
   94   1HE   LYS  11          2HE       LYS  11  19.555  -2.660  -8.486
   95   2HE   LYS  11          3HE       LYS  11  19.551  -4.046  -7.413
   96   1HZ   LYS  11          1HZ       LYS  11  17.353  -2.987  -8.682
   97   2HZ   LYS  11          2HZ       LYS  11  17.317  -4.110  -7.504
   98    H    THR  12           HN       THR  12  17.534  -1.924  -3.655
   99    HA   THR  12           HA       THR  12  17.598  -0.438  -1.325
  100    HB   THR  12           HB       THR  12  20.108  -0.325  -2.199
  101    HG1  THR  12           HG1      THR  12  18.272   1.835  -1.473
  102   1HG2  THR  12          3HG2      THR  12  18.990   0.650  -4.498
  103   2HG2  THR  12          1HG2      THR  12  19.135   2.163  -3.571
  104   3HG2  THR  12          2HG2      THR  12  20.583   1.183  -3.905
  105    H    VAL  13           HN       VAL  13  15.608  -1.256  -3.024
  106    HA   VAL  13           HA       VAL  13  14.863   0.227  -5.126
  107    HB   VAL  13           HB       VAL  13  12.513  -0.049  -4.236
  108   1HG1  VAL  13          1HG1      VAL  13  14.467  -2.029  -5.023
  109   2HG1  VAL  13          2HG1      VAL  13  13.264  -2.750  -3.926
  110   3HG1  VAL  13          3HG1      VAL  13  12.734  -1.931  -5.414
  111   1HG2  VAL  13          3HG2      VAL  13  13.015   0.114  -1.841
  112   2HG2  VAL  13          1HG2      VAL  13  12.214  -1.430  -2.224
  113   3HG2  VAL  13          2HG2      VAL  13  13.970  -1.386  -1.931
  114    H    LYS  14           HN       LYS  14  13.527   2.164  -5.432
  115    HA   LYS  14           HA       LYS  14  14.152   4.155  -3.370
  116   1HB   LYS  14          2HB       LYS  14  15.222   4.684  -5.440
  117   2HB   LYS  14          3HB       LYS  14  13.763   4.382  -6.362
  118   1HG   LYS  14          2HG       LYS  14  12.863   6.436  -5.871
  119   2HG   LYS  14          3HG       LYS  14  13.403   6.388  -4.204
  120   1HD   LYS  14          2HD       LYS  14  15.294   7.580  -4.665
  121   2HD   LYS  14          3HD       LYS  14  15.671   6.601  -6.069
  122   1HE   LYS  14          2HE       LYS  14  14.555   8.013  -7.537
  123   2HE   LYS  14          3HE       LYS  14  13.331   8.453  -6.361
  124   1HZ   LYS  14          1HZ       LYS  14  15.904   9.694  -6.841
  125   2HZ   LYS  14          2HZ       LYS  14  14.537  10.358  -6.254
  126    H    CYS  15           HN       CYS  15  12.527   5.428  -2.475
  127    HA   CYS  15           HA       CYS  15   9.913   4.302  -2.672
  128   1HB   CYS  15          2HB       CYS  15  10.832   5.069  -0.516
  129   2HB   CYS  15          3HB       CYS  15  10.906   6.714  -1.116
  130    H    PHE  16           HN       PHE  16   8.527   4.851  -4.318
  131    HA   PHE  16           HA       PHE  16   9.041   7.208  -5.866
  132   1HB   PHE  16          2HB       PHE  16   7.053   4.884  -5.809
  133   2HB   PHE  16          3HB       PHE  16   6.769   6.231  -6.895
  134    HD1  PHE  16           HD1      PHE  16   9.545   6.839  -7.763
  135    HD2  PHE  16           HD2      PHE  16   7.572   3.119  -7.237
  136    HE1  PHE  16           HE1      PHE  16  11.068   5.791  -9.462
  137    HE2  PHE  16           HE2      PHE  16   9.096   2.071  -8.936
  138    HZ   PHE  16           HZ       PHE  16  10.825   3.419 -10.027
  139    H    ASN  17           HN       ASN  17   7.896   7.071  -2.872
  140    HA   ASN  17           HA       ASN  17   5.542   8.684  -3.405
  141   1HB   ASN  17          2HB       ASN  17   5.622   6.640  -1.732
  142   2HB   ASN  17          3HB       ASN  17   6.466   7.740  -0.659
  143   1HD2  ASN  17          2HD2      ASN  17   3.290   8.494   0.612
  144   2HD2  ASN  17          1HD2      ASN  17   4.785   7.647   0.825
  145    H    CYS  18           HN       CYS  18   8.535   8.500  -1.336
  146    HA   CYS  18           HA       CYS  18   8.350  11.382  -0.934
  147   1HB   CYS  18          2HB       CYS  18  10.035  11.034   0.846
  148   2HB   CYS  18          3HB       CYS  18   8.567  10.115   1.116
  149    H    GLY  19           HN       GLY  19  10.425   8.700  -2.159
  150   1HA   GLY  19          1HA       GLY  19  11.731   8.999  -4.107
  151   2HA   GLY  19          2HA       GLY  19  11.953  10.690  -3.703
  152    H    LYS  20           HN       LYS  20  12.160   8.133  -1.224
  153    HA   LYS  20           HA       LYS  20  15.055   8.629  -1.117
  154   1HB   LYS  20          2HB       LYS  20  12.950   8.600   0.971
  155   2HB   LYS  20          3HB       LYS  20  14.435   7.766   1.387
  156   1HG   LYS  20          2HG       LYS  20  15.649   9.707   1.493
  157   2HG   LYS  20          3HG       LYS  20  14.910  10.366   0.049
  158   1HD   LYS  20          2HD       LYS  20  13.592  11.696   1.320
  159   2HD   LYS  20          3HD       LYS  20  12.857  10.282   2.048
  160   1HE   LYS  20          2HE       LYS  20  14.194  10.378   3.945
  161   2HE   LYS  20          3HE       LYS  20  15.576  11.018   3.077
  162   1HZ   LYS  20          1HZ       LYS  20  13.241  12.766   3.263
  163   2HZ   LYS  20          2HZ       LYS  20  14.079  12.538   4.640
  164    H    GLU  21           HN       GLU  21  16.447   6.860  -0.949
  165    HA   GLU  21           HA       GLU  21  15.244   4.402  -1.787
  166   1HB   GLU  21          2HB       GLU  21  18.023   5.524  -1.627
  167   2HB   GLU  21          3HB       GLU  21  17.870   3.779  -1.585
  168   1HG   GLU  21          2HG       GLU  21  17.390   3.683  -3.805
  169   2HG   GLU  21          3HG       GLU  21  16.123   4.883  -3.649
  170    HE2  GLU  21           HE2      GLU  21  18.676   6.356  -5.762
  171    H    GLY  22           HN       GLY  22  15.325   2.393  -0.646
  172   1HA   GLY  22          1HA       GLY  22  16.301   1.212   1.274
  173   2HA   GLY  22          2HA       GLY  22  16.015   2.660   2.220
  174    H    HIS  23           HN       HIS  23  13.478   2.500   0.020
  175    HA   HIS  23           HA       HIS  23  11.888   0.469   1.048
  176   1HB   HIS  23          2HB       HIS  23  10.490   1.484   2.622
  177   2HB   HIS  23          3HB       HIS  23  12.110   1.940   3.110
  178    HD1  HIS  23           HD1      HIS  23  12.783   4.453   2.899
  179    HD2  HIS  23           HD2      HIS  23   8.858   3.610   1.685
  180    HE1  HIS  23           HE1      HIS  23  11.604   6.705   2.682
  181    H    ILE  24           HN       ILE  24   9.637   0.611   0.185
  182    HA   ILE  24           HA       ILE  24   9.600   2.413  -2.133
  183    HB   ILE  24           HB       ILE  24   8.356   0.788  -3.299
  184   1HG1  ILE  24          2HG1      ILE  24   8.231  -0.924  -0.802
  185   2HG1  ILE  24          3HG1      ILE  24   6.930   0.128  -1.327
  186   1HG2  ILE  24          1HG2      ILE  24  10.927   0.426  -2.665
  187   2HG2  ILE  24          2HG2      ILE  24  10.261  -1.072  -1.975
  188   3HG2  ILE  24          3HG2      ILE  24  10.018  -0.702  -3.698
  189   1HD1  ILE  24          3HD1      ILE  24   8.121  -1.881  -3.261
  190   2HD1  ILE  24          1HD1      ILE  24   6.895  -2.384  -2.073
  191   3HD1  ILE  24          2HD1      ILE  24   6.505  -1.136  -3.279
  192    H    ALA  25           HN       ALA  25   7.388   3.171  -2.807
  193    HA   ALA  25           HA       ALA  25   6.174   4.584  -0.816
  194   1HB   ALA  25          1HB       ALA  25   5.023   3.518  -3.425
  195   2HB   ALA  25          2HB       ALA  25   4.295   4.815  -2.447
  196   3HB   ALA  25          3HB       ALA  25   5.893   5.053  -3.195
  197    H    LYS  26           HN       LYS  26   5.556   1.230  -1.920
  198    HA   LYS  26           HA       LYS  26   3.149   0.855  -0.570
  199   1HB   LYS  26          2HB       LYS  26   5.291  -1.187  -1.233
  200   2HB   LYS  26          3HB       LYS  26   3.617  -1.532  -0.850
  201   1HG   LYS  26          2HG       LYS  26   4.102   0.445  -3.058
  202   2HG   LYS  26          3HG       LYS  26   4.519  -1.222  -3.399
  203   1HD   LYS  26          2HD       LYS  26   1.884  -0.872  -2.056
  204   2HD   LYS  26          3HD       LYS  26   1.980  -0.150  -3.651
  205   1HE   LYS  26          2HE       LYS  26   2.847  -2.348  -4.554
  206   2HE   LYS  26          3HE       LYS  26   2.637  -3.055  -2.963
  207   1HZ   LYS  26          1HZ       LYS  26   0.262  -2.573  -3.106
  208   2HZ   LYS  26          2HZ       LYS  26   0.437  -1.843  -4.551
  209    H    ASN  27           HN       ASN  27   6.581   0.431   0.463
  210    HA   ASN  27           HA       ASN  27   5.636  -0.274   3.091
  211   1HB   ASN  27          2HB       ASN  27   8.472  -0.012   1.960
  212   2HB   ASN  27          3HB       ASN  27   8.099  -0.598   3.568
  213   1HD2  ASN  27          2HD2      ASN  27   8.354  -3.190   0.626
  214   2HD2  ASN  27          1HD2      ASN  27   9.113  -1.642   0.777
  215    H    CYS  28           HN       CYS  28   5.711   2.527   1.505
  216    HA   CYS  28           HA       CYS  28   7.397   4.085   3.226
  217   1HB   CYS  28          2HB       CYS  28   7.149   4.658   0.840
  218   2HB   CYS  28          3HB       CYS  28   5.436   4.949   1.073
  219    H    ARG  29           HN       ARG  29   6.696   5.314   5.001
  220    HA   ARG  29           HA       ARG  29   4.186   4.585   6.058
  221   1HB   ARG  29          2HB       ARG  29   6.587   5.446   7.127
  222   2HB   ARG  29          3HB       ARG  29   5.629   6.906   7.268
  223   1HG   ARG  29          2HG       ARG  29   5.004   5.905   9.258
  224   2HG   ARG  29          3HG       ARG  29   3.788   5.185   8.220
  225   1HD   ARG  29          2HD       ARG  29   6.422   3.749   8.373
  226   2HD   ARG  29          3HD       ARG  29   5.434   3.713   9.820
  227    HE   ARG  29           HE       ARG  29   3.675   3.103   7.716
  228   1HH1  ARG  29          2HH2      ARG  29   6.637   1.693   9.054
  229   2HH1  ARG  29          1HH2      ARG  29   6.226   0.076   8.588
  230    HH2  ARG  29           HH1      ARG  29   4.160  -0.325   7.440
  231    H    ALA  30           HN       ALA  30   5.548   7.346   4.275
  232    HA   ALA  30           HA       ALA  30   3.663   9.284   4.928
  233   1HB   ALA  30          3HB       ALA  30   5.923   9.362   3.595
  234   2HB   ALA  30          1HB       ALA  30   4.892   9.039   2.180
  235   3HB   ALA  30          2HB       ALA  30   4.618  10.494   3.168
  236    HA   PRO  31           HA       PRO  31   0.123   8.025   2.787
  237   1HB   PRO  31          2HB       PRO  31  -1.097  10.405   2.231
  238   2HB   PRO  31          3HB       PRO  31  -1.168   9.637   3.804
  239   1HG   PRO  31          2HG       PRO  31   0.420  11.982   2.957
  240   2HG   PRO  31          3HG       PRO  31   0.006  11.464   4.579
  241   1HD   PRO  31          2HD       PRO  31   2.539  11.147   3.270
  242   2HD   PRO  31          3HD       PRO  31   2.088  10.528   4.847
  243    H    ARG  32           HN       ARG  32  -0.981   7.719   0.785
  244    HA   ARG  32           HA       ARG  32   0.771   7.659  -1.300
  245   1HB   ARG  32          2HB       ARG  32  -2.283   7.825  -1.406
  246   2HB   ARG  32          3HB       ARG  32  -1.271   7.278  -2.727
  247   1HG   ARG  32          2HG       ARG  32  -0.669   5.875  -0.198
  248   2HG   ARG  32          3HG       ARG  32  -2.338   5.671  -0.690
  249   1HD   ARG  32          2HD       ARG  32  -1.663   4.110  -2.194
  250   2HD   ARG  32          3HD       ARG  32  -0.821   5.368  -3.078
  251    HE   ARG  32           HE       ARG  32   1.148   4.357  -2.366
  252   1HH1  ARG  32          2HH2      ARG  32  -1.277   3.923   0.181
  253   2HH1  ARG  32          1HH2      ARG  32  -0.197   3.076   1.237
  254    HH2  ARG  32           HH1      ARG  32   2.062   2.685   0.539
  255    H    LYS  33           HN       LYS  33   1.788   9.458  -2.163
  256    HA   LYS  33           HA       LYS  33   0.040  11.663  -2.977
  257   1HB   LYS  33          2HB       LYS  33   2.427  11.756  -1.195
  258   2HB   LYS  33          3HB       LYS  33   2.286  13.024  -2.396
  259   1HG   LYS  33          2HG       LYS  33  -0.074  13.464  -1.597
  260   2HG   LYS  33          3HG       LYS  33   0.154  12.259  -0.345
  261   1HD   LYS  33          2HD       LYS  33   1.380  13.678   0.958
  262   2HD   LYS  33          3HD       LYS  33   2.356  14.218  -0.393
  263   1HE   LYS  33          2HE       LYS  33   1.093  16.096  -0.699
  264   2HE   LYS  33          3HE       LYS  33  -0.413  15.205  -0.596
  265   1HZ   LYS  33          1HZ       LYS  33  -0.578  15.627   1.627
  266   2HZ   LYS  33          2HZ       LYS  33   1.020  15.515   1.918
  267    H    LYS  34           HN       LYS  34   1.734  13.215  -4.402
  268    HA   LYS  34           HA       LYS  34   3.366  11.509  -6.074
  269   1HB   LYS  34          2HB       LYS  34   0.686  11.938  -6.771
  270   2HB   LYS  34          3HB       LYS  34   1.584  13.069  -7.764
  271   1HG   LYS  34          2HG       LYS  34   2.882  11.350  -8.781
  272   2HG   LYS  34          3HG       LYS  34   2.538  10.201  -7.504
  273   1HD   LYS  34          2HD       LYS  34   0.296   9.840  -8.264
  274   2HD   LYS  34          3HD       LYS  34   0.297  11.296  -9.241
  275   1HE   LYS  34          2HE       LYS  34   2.318   9.130  -9.861
  276   2HE   LYS  34          3HE       LYS  34   0.654   8.897 -10.363
  277   1HZ   LYS  34          1HZ       LYS  34   1.176  11.445 -11.155
  278   2HZ   LYS  34          2HZ       LYS  34   2.607  10.719 -11.430
  279    H    GLY  35           HN       GLY  35   4.446  13.256  -4.385
  280   1HA   GLY  35          1HA       GLY  35   4.679  15.856  -5.713
  281   2HA   GLY  35          2HA       GLY  35   5.261  15.418  -4.119
  282    H    CYS  36           HN       CYS  36   6.322  16.280  -7.112
  283    HA   CYS  36           HA       CYS  36   8.219  14.370  -7.772
  284   1HB   CYS  36          2HB       CYS  36   7.619  16.049  -9.373
  285   2HB   CYS  36          3HB       CYS  36   8.094  17.351  -8.300
  286    H    TRP  37           HN       TRP  37  10.000  13.712  -6.620
  287    HA   TRP  37           HA       TRP  37  10.846  15.300  -4.363
  288   1HB   TRP  37          2HB       TRP  37  12.496  13.006  -4.865
  289   2HB   TRP  37          3HB       TRP  37  11.447  13.358  -3.506
  290    HD1  TRP  37           HD1      TRP  37   8.773  12.523  -3.838
  291    HE1  TRP  37           HE1      TRP  37   7.720  10.452  -5.090
  292    HE3  TRP  37           HE3      TRP  37  12.811  11.583  -6.783
  293    HZ2  TRP  37           HZ2      TRP  37   8.672   8.693  -7.125
  294    HZ3  TRP  37           HZ3      TRP  37  12.667   9.670  -8.375
  295    HH2  TRP  37           HH2      TRP  37  10.688   8.248  -8.574
  296    H    LYS  38           HN       LYS  38  11.152  16.549  -6.966
  297    HA   LYS  38           HA       LYS  38  14.079  16.692  -7.025
  298   1HB   LYS  38          2HB       LYS  38  12.601  15.507  -9.030
  299   2HB   LYS  38          3HB       LYS  38  12.763  17.150  -9.616
  300   1HG   LYS  38          2HG       LYS  38  14.719  16.109 -10.435
  301   2HG   LYS  38          3HG       LYS  38  15.291  16.927  -8.995
  302   1HD   LYS  38          2HD       LYS  38  14.292  14.295  -8.261
  303   2HD   LYS  38          3HD       LYS  38  15.423  14.129  -9.590
  304   1HE   LYS  38          2HE       LYS  38  16.754  15.956  -7.991
  305   2HE   LYS  38          3HE       LYS  38  15.917  15.001  -6.783
  306   1HZ   LYS  38          1HZ       LYS  38  17.266  13.512  -8.903
  307   2HZ   LYS  38          2HZ       LYS  38  18.228  14.239  -7.810
  308    H    CYS  39           HN       CYS  39  10.926  18.235  -7.919
  309    HA   CYS  39           HA       CYS  39  12.254  20.812  -7.517
  310   1HB   CYS  39          2HB       CYS  39  10.296  21.748  -8.797
  311   2HB   CYS  39          3HB       CYS  39  11.371  20.720  -9.725
  312    H    GLY  40           HN       GLY  40   9.638  18.587  -6.569
  313   1HA   GLY  40          1HA       GLY  40   8.717  18.558  -4.432
  314   2HA   GLY  40          2HA       GLY  40   9.132  20.247  -4.209
  315    H    LYS  41           HN       LYS  41   7.713  19.289  -7.294
  316    HA   LYS  41           HA       LYS  41   5.332  20.805  -6.577
  317   1HB   LYS  41          2HB       LYS  41   6.976  20.804  -8.816
  318   2HB   LYS  41          3HB       LYS  41   5.574  19.900  -9.350
  319   1HG   LYS  41          2HG       LYS  41   4.461  22.036  -7.895
  320   2HG   LYS  41          3HG       LYS  41   5.818  22.771  -8.725
  321   1HD   LYS  41          2HD       LYS  41   4.982  22.191 -10.881
  322   2HD   LYS  41          3HD       LYS  41   3.923  20.949 -10.242
  323   1HE   LYS  41          2HE       LYS  41   3.561  23.912  -9.600
  324   2HE   LYS  41          3HE       LYS  41   2.778  23.136 -10.962
  325   1HZ   LYS  41          1HZ       LYS  41   2.308  21.531  -8.724
  326   2HZ   LYS  41          2HZ       LYS  41   1.993  23.059  -8.259
  327    H    GLU  42           HN       GLU  42   3.396  19.858  -6.177
  328    HA   GLU  42           HA       GLU  42   3.329  16.994  -6.361
  329   1HB   GLU  42          2HB       GLU  42   1.246  17.185  -5.053
  330   2HB   GLU  42          3HB       GLU  42   2.532  18.112  -4.306
  331   1HG   GLU  42          2HG       GLU  42   1.185  19.933  -4.368
  332   2HG   GLU  42          3HG       GLU  42   1.317  19.920  -6.114
  333    HE1  GLU  42           HE2      GLU  42  -0.404  18.717  -3.498
  334    H    GLY  43           HN       GLY  43   2.620  15.989  -8.188
  335   1HA   GLY  43          1HA       GLY  43   0.295  15.998  -9.391
  336   2HA   GLY  43          2HA       GLY  43   0.928  17.495 -10.045
  337    H    HIS  44           HN       HIS  44   3.607  17.034 -10.491
  338    HA   HIS  44           HA       HIS  44   3.460  14.941 -12.511
  339   1HB   HIS  44          2HB       HIS  44   5.139  16.098 -13.690
  340   2HB   HIS  44          3HB       HIS  44   4.011  17.319 -13.133
  341    HD1  HIS  44           HD1      HIS  44   4.883  19.120 -11.526
  342    HD2  HIS  44           HD2      HIS  44   7.680  16.098 -12.323
  343    HE1  HIS  44           HE1      HIS  44   7.107  19.934 -10.573
  344    H    GLN  45           HN       GLN  45   6.008  14.165 -12.930
  345    HA   GLN  45           HA       GLN  45   7.021  13.429 -10.306
  346   1HB   GLN  45          2HB       GLN  45   7.277  11.106 -10.948
  347   2HB   GLN  45          3HB       GLN  45   5.609  11.563 -11.236
  348   1HG   GLN  45          2HG       GLN  45   6.745  12.206 -13.669
  349   2HG   GLN  45          3HG       GLN  45   7.746  10.849 -13.192
  350   1HE2  GLN  45          2HE2      GLN  45   5.425   8.631 -14.480
  351   2HE2  GLN  45          1HE2      GLN  45   7.050   9.227 -14.390
  352    H    MET  46           HN       MET  46   9.338  12.629 -10.408
  353    HA   MET  46           HA       MET  46  10.910  14.412 -11.721
  354   1HB   MET  46          2HB       MET  46  11.818  13.146  -9.878
  355   2HB   MET  46          3HB       MET  46  11.384  11.612 -10.606
  356   1HG   MET  46          2HG       MET  46  13.831  12.027 -10.787
  357   2HG   MET  46          3HG       MET  46  13.093  11.922 -12.373
  358   1HE   MET  46          3HE       MET  46  15.172  12.854 -13.236
  359   2HE   MET  46          1HE       MET  46  13.974  13.761 -14.191
  360   3HE   MET  46          2HE       MET  46  15.390  14.599 -13.513
  361    H    LYS  47           HN       LYS  47   9.824  11.146 -12.776
  362    HA   LYS  47           HA       LYS  47  11.489  10.833 -14.950
  363   1HB   LYS  47          2HB       LYS  47   9.407   9.443 -13.784
  364   2HB   LYS  47          3HB       LYS  47   8.742   9.869 -15.348
  365   1HG   LYS  47          2HG       LYS  47  11.400   9.075 -15.907
  366   2HG   LYS  47          3HG       LYS  47  10.852   7.936 -14.694
  367   1HD   LYS  47          2HD       LYS  47   9.128   8.609 -17.109
  368   2HD   LYS  47          3HD       LYS  47  10.377   7.384 -17.203
  369   1HE   LYS  47          2HE       LYS  47   8.706   7.047 -14.799
  370   2HE   LYS  47          3HE       LYS  47   7.745   7.017 -16.265
  371   1HZ   LYS  47          1HZ       LYS  47  10.195   5.466 -16.396
  372   2HZ   LYS  47          2HZ       LYS  47   9.092   4.893 -15.344
  373    H    ASP  48           HN       ASP  48   8.610  12.878 -14.495
  374    HA   ASP  48           HA       ASP  48   9.080  13.848 -17.205
  375   1HB   ASP  48          2HB       ASP  48   6.765  12.608 -16.313
  376   2HB   ASP  48          3HB       ASP  48   6.381  14.293 -16.023
  377    HD2  ASP  48           HD2      ASP  48   5.988  12.088 -18.587
  378    H    CYS  49           HN       CYS  49  10.423  14.841 -14.878
  379    HA   CYS  49           HA       CYS  49   9.133  16.822 -13.481
  380   1HB   CYS  49          2HB       CYS  49  11.388  15.905 -12.955
  381   2HB   CYS  49          3HB       CYS  49  12.052  16.786 -14.317
  382    H    THR  50           HN       THR  50   7.986  18.511 -14.367
  383    HA   THR  50           HA       THR  50   8.699  19.501 -16.986
  384    HB   THR  50           HB       THR  50   6.327  19.104 -16.255
  385    HG1  THR  50           HG1      THR  50   5.709  21.246 -17.041
  386   1HG2  THR  50          1HG2      THR  50   7.178  20.542 -13.910
  387   2HG2  THR  50          2HG2      THR  50   6.011  21.577 -14.768
  388   3HG2  THR  50          3HG2      THR  50   5.545  19.931 -14.275
  389    H    GLU  51           HN       GLU  51  10.177  19.909 -14.121
  390    HA   GLU  51           HA       GLU  51  11.071  22.513 -14.931
  391   1HB   GLU  51          2HB       GLU  51   9.083  22.589 -13.135
  392   2HB   GLU  51          3HB       GLU  51  10.383  22.245 -12.011
  393   1HG   GLU  51          2HG       GLU  51  10.367  24.558 -14.007
  394   2HG   GLU  51          3HG       GLU  51   9.989  24.704 -12.302
  395    HE1  GLU  51           HE2      GLU  51  12.876  23.306 -11.322
  396    H    ARG  52           HN       ARG  52  12.940  21.115 -15.464
  397    HA   ARG  52           HA       ARG  52  14.234  19.925 -13.195
  398   1HB   ARG  52          2HB       ARG  52  14.420  19.722 -16.157
  399   2HB   ARG  52          3HB       ARG  52  15.978  19.653 -15.358
  400   1HG   ARG  52          2HG       ARG  52  13.940  18.012 -13.985
  401   2HG   ARG  52          3HG       ARG  52  14.177  17.522 -15.651
  402   1HD   ARG  52          2HD       ARG  52  16.758  18.060 -14.373
  403   2HD   ARG  52          3HD       ARG  52  15.841  16.901 -13.431
  404    HE   ARG  52           HE       ARG  52  15.923  15.360 -15.237
  405   1HH1  ARG  52          2HH2      ARG  52  17.292  18.483 -16.199
  406   2HH1  ARG  52          1HH2      ARG  52  18.001  17.864 -17.653
  407    HH2  ARG  52           HH1      ARG  52  17.734  15.545 -18.195
  408    H    GLN  53           HN       GLN  53  14.900  21.785 -11.960
  409    HA   GLN  53           HA       GLN  53  17.330  22.906 -12.866
  410   1HB   GLN  53          2HB       GLN  53  15.064  24.321 -13.673
  411   2HB   GLN  53          3HB       GLN  53  15.526  25.151 -12.200
  412   1HG   GLN  53          2HG       GLN  53  17.991  24.863 -13.379
  413   2HG   GLN  53          3HG       GLN  53  16.978  24.957 -14.807
  414   1HE2  GLN  53          2HE2      GLN  53  18.043  28.387 -13.922
  415   2HE2  GLN  53          1HE2      GLN  53  18.788  26.889 -14.367
  416    H    ALA  54           HN       ALA  54  18.369  24.249 -11.123
  417    HA   ALA  54           HA       ALA  54  18.156  23.079  -8.658
  418   1HB   ALA  54          1HB       ALA  54  19.490  25.375  -9.888
  419   2HB   ALA  54          2HB       ALA  54  19.095  25.670  -8.178
  420   3HB   ALA  54          3HB       ALA  54  20.077  24.257  -8.633
  421    H    ASN  55           HN       ASN  55  17.455  24.077  -6.547
  422    HA   ASN  55           HA       ASN  55  15.798  24.691  -5.281
  423   1HB   ASN  55          2HB       ASN  55  16.656  26.947  -5.705
  424   2HB   ASN  55          3HB       ASN  55  15.818  27.039  -7.241
  425   1HD2  ASN  55          2HD2      ASN  55  12.647  27.847  -5.966
  426   2HD2  ASN  55          1HD2      ASN  55  13.567  27.247  -7.307
  427   1H5*    G 201          1H5*        G 201   2.974 -19.062  -8.750
  428   2H5*    G 201          2H5*        G 201   3.701 -18.061  -7.494
  429    H4*    G 201           H4*        G 201   1.635 -19.721  -7.071
  430    H3*    G 201           H3*        G 201   3.828 -18.998  -5.102
  431   1H2*    G 201          1H2*        G 201   2.571 -20.104  -3.476
  432   2HO*    G 201          2HO*        G 201   0.414 -19.772  -3.620
  433    H1*    G 201           H1*        G 201   1.520 -21.984  -5.452
  434    H8     G 201           H8         G 201   4.089 -21.071  -2.922
  435    H1     G 201           H1         G 201   4.295 -27.310  -4.628
  436   1H2     G 201          1H2         G 201   3.095 -27.613  -6.277
  437   2H2     G 201          2H2         G 201   2.170 -26.363  -7.079
  438   1H5*    G 202          1H5*        G 202   2.198 -18.082  -2.731
  439   2H5*    G 202          2H5*        G 202   2.527 -16.502  -2.019
  440    H4*    G 202           H4*        G 202   3.460 -17.956  -0.488
  441    H3*    G 202           H3*        G 202   5.605 -16.975  -2.350
  442   1H2*    G 202          1H2*        G 202   7.211 -18.273  -1.262
  443   2HO*    G 202          2HO*        G 202   5.421 -19.006   0.801
  444    H1*    G 202           H1*        G 202   5.683 -20.546  -0.864
  445    H8     G 202           H8         G 202   5.378 -18.388  -4.020
  446    H1     G 202           H1         G 202   8.898 -23.781  -4.659
  447   1H2     G 202          1H2         G 202   9.033 -24.735  -2.836
  448   2H2     G 202          2H2         G 202   8.302 -24.160  -1.355
  449   1H5*    A 203          1H5*        A 203   7.544 -17.205   1.773
  450   2H5*    A 203          2H5*        A 203   8.360 -15.643   1.750
  451    H4*    A 203           H4*        A 203   9.917 -17.492   2.129
  452    H3*    A 203           H3*        A 203  10.227 -15.675  -0.190
  453   1H2*    A 203          1H2*        A 203  11.790 -16.981  -1.291
  454   2HO*    A 203          2HO*        A 203  12.995 -17.077   0.715
  455    H1*    A 203           H1*        A 203  10.753 -19.501  -0.370
  456    H8     A 203           H8         A 203   8.572 -16.893  -2.086
  457   1H6     A 203          1H6         A 203   9.430 -20.251  -7.277
  458   2H6     A 203          2H6         A 203   8.578 -18.881  -6.599
  459    H2     A 203           H2         A 203  11.946 -21.998  -4.059
  460   1H5*    C 204          1H5*        C 204  14.559 -15.939   1.220
  461   2H5*    C 204          2H5*        C 204  15.234 -14.472   0.510
  462    H4*    C 204           H4*        C 204  16.047 -16.720  -0.388
  463    H3*    C 204           H3*        C 204  15.125 -14.449  -2.139
  464   1H2*    C 204          1H2*        C 204  15.525 -15.708  -4.039
  465   2HO*    C 204          2HO*        C 204  17.190 -17.225  -2.242
  466    H1*    C 204           H1*        C 204  15.018 -18.257  -2.771
  467   1H4     C 204          1H4         C 204  10.120 -17.615  -6.794
  468   2H4     C 204          2H4         C 204   9.492 -16.291  -5.838
  469    H5     C 204           H5         C 204  10.596 -15.389  -3.956
  470    H6     C 204           H6         C 204  12.594 -15.536  -2.512
  471   1H5*    U 205          1H5*        U 205  19.704 -14.238  -2.714
  472   2H5*    U 205          2H5*        U 205  20.018 -12.645  -3.403
  473    H4*    U 205           H4*        U 205  20.452 -14.612  -4.914
  474    H3*    U 205           H3*        U 205  18.661 -12.334  -5.732
  475   1H2*    U 205          1H2*        U 205  18.264 -13.335  -7.781
  476   2HO*    U 205          2HO*        U 205  20.071 -14.130  -8.707
  477    H1*    U 205           H1*        U 205  18.513 -16.038  -6.852
  478    H3     U 205           H3         U 205  14.302 -16.202  -8.436
  479    H5     U 205           H5         U 205  14.019 -13.491  -5.256
  480    H6     U 205           H6         U 205  16.457 -13.646  -5.037
  481   1H5*    A 206          1H5*        A 206  21.042 -12.344  -8.342
  482   2H5*    A 206          2H5*        A 206  21.901 -11.019  -9.127
  483    H4*    A 206           H4*        A 206  20.281 -11.702 -10.671
  484    H3*    A 206           H3*        A 206  19.065  -9.323  -9.215
  485   1H2*    A 206          1H2*        A 206  17.574  -9.262 -10.984
  486   2HO*    A 206          2HO*        A 206  18.449  -9.565 -13.003
  487    H1*    A 206           H1*        A 206  17.782 -12.055 -11.635
  488    H8     A 206           H8         A 206  16.978 -10.847  -8.115
  489   1H6     A 206          1H6         A 206  11.009 -11.903  -9.597
  490   2H6     A 206          2H6         A 206  12.087 -11.448  -8.297
  491    H2     A 206           H2         A 206  13.479 -12.553 -13.232
  492   1H5*    G 207          1H5*        G 207  20.256  -8.178 -12.703
  493   2H5*    G 207          2H5*        G 207  20.426  -6.507 -13.239
  494    H4*    G 207           H4*        G 207  18.404  -7.300 -14.154
  495    H3*    G 207           H3*        G 207  17.628  -5.717 -11.673
  496   1H2*    G 207          1H2*        G 207  15.549  -5.534 -12.740
  497   2HO*    G 207          2HO*        G 207  16.265  -6.532 -15.205
  498    H1*    G 207           H1*        G 207  15.710  -8.108 -13.958
  499    H8     G 207           H8         G 207  16.480  -7.543 -10.265
  500    H1     G 207           H1         G 207  10.462  -9.550 -11.539
  501   1H2     G 207          1H2         G 207  10.175  -9.616 -13.580
  502   2H2     G 207          2H2         G 207  11.385  -9.191 -14.770
  503   1H5*    C 208          1H5*        C 208  18.047  -2.091 -14.500
  504   2H5*    C 208          2H5*        C 208  17.572  -0.708 -13.516
  505    H4*    C 208           H4*        C 208  15.947  -2.234 -15.188
  506    H3*    C 208           H3*        C 208  15.444  -0.067 -13.177
  507   1H2*    C 208          1H2*        C 208  13.351  -0.880 -12.817
  508   2HO*    C 208          2HO*        C 208  13.385  -0.922 -15.697
  509    H1*    C 208           H1*        C 208  13.264  -3.107 -14.676
  510   1H4     C 208          1H4         C 208  11.939  -5.813  -9.061
  511   2H4     C 208          2H4         C 208  13.571  -5.505  -8.515
  512    H5     C 208           H5         C 208  15.175  -4.308  -9.771
  513    H6     C 208           H6         C 208  15.611  -3.102 -11.881
  514   1H5*    G 209          1H5*        G 209  13.854   4.210 -14.307
  515   2H5*    G 209          2H5*        G 209  14.482   2.939 -13.258
  516    H4*    G 209           H4*        G 209  11.909   2.750 -14.839
  517    H3*    G 209           H3*        G 209  12.275   3.298 -11.868
  518   1H2*    G 209          1H2*        G 209  10.006   2.773 -11.733
  519   2HO*    G 209          2HO*        G 209   8.819   2.953 -13.871
  520    H1*    G 209           H1*        G 209   9.879   0.787 -13.594
  521    H8     G 209           H8         G 209  13.034   1.458 -11.507
  522    H1     G 209           H1         G 209   9.491  -3.635  -9.670
  523   1H2     G 209          1H2         G 209   7.816  -3.776 -10.864
  524   2H2     G 209          2H2         G 209   7.429  -2.678 -12.170
  525   1H5*    G 210          1H5*        G 210   9.547   5.439 -12.849
  526   2H5*    G 210          2H5*        G 210   9.488   7.197 -12.973
  527    H4*    G 210           H4*        G 210   8.375   5.469 -10.758
  528    H3*    G 210           H3*        G 210   7.169   6.714 -13.107
  529   1H2*    G 210          1H2*        G 210   6.388   8.513 -11.897
  530   2HO*    G 210          2HO*        G 210   4.701   7.145 -10.322
  531    H1*    G 210           H1*        G 210   6.383   7.569  -9.175
  532    H8     G 210           H8         G 210   9.344   8.585 -11.400
  533    H1     G 210           H1         G 210   7.774  12.790  -6.737
  534   1H2     G 210          1H2         G 210   6.119  12.102  -5.719
  535   2H2     G 210          2H2         G 210   5.280  10.609  -6.074
  536   1H5*    A 211          1H5*        A 211   7.763   3.476 -11.183
  537   2H5*    A 211          2H5*        A 211   7.675   1.729 -11.403
  538    H4*    A 211           H4*        A 211   6.525   1.882  -9.461
  539    H3*    A 211           H3*        A 211   4.524   2.176 -11.653
  540   1H2*    A 211          1H2*        A 211   3.529   3.683 -10.122
  541   2HO*    A 211          2HO*        A 211   2.191   1.979  -8.826
  542    H1*    A 211           H1*        A 211   4.536   1.881  -7.864
  543    H8     A 211           H8         A 211   4.776   5.620  -8.682
  544   1H6     A 211          1H6         A 211   2.072   6.497  -3.126
  545   2H6     A 211          2H6         A 211   2.763   7.313  -4.510
  546    H2     A 211           H2         A 211   2.356   2.124  -3.860
  547   1H5*    G 212          1H5*        G 212   2.964  -2.808  -9.498
  548   2H5*    G 212          2H5*        G 212   3.639  -1.288  -8.911
  549    H4*    G 212           H4*        G 212   5.329  -3.715  -9.533
  550    H3*    G 212           H3*        G 212   3.621  -3.303  -7.210
  551   1H2*    G 212          1H2*        G 212   5.220  -2.797  -5.669
  552   2HO*    G 212          2HO*        G 212   6.750  -4.680  -7.222
  553    H1*    G 212           H1*        G 212   7.426  -2.452  -7.599
  554    H8     G 212           H8         G 212   4.394  -0.357  -6.500
  555    H1     G 212           H1         G 212  10.196   2.175  -5.153
  556   1H2     G 212          1H2         G 212  11.674   0.889  -5.795
  557   2H2     G 212          2H2         G 212  11.385  -0.647  -6.580
  558   1H5*    G 213          1H5*        G 213   2.185  -4.642  -9.123
  559   2H5*    G 213          2H5*        G 213   1.087  -5.946  -9.574
  560    H4*    G 213           H4*        G 213   2.409  -5.213 -11.477
  561    H3*    G 213           H3*        G 213   3.032  -8.009 -10.492
  562   1H2*    G 213          1H2*        G 213   4.588  -8.144 -12.148
  563   2HO*    G 213          2HO*        G 213   3.033  -6.513 -13.871
  564    H1*    G 213           H1*        G 213   4.859  -5.500 -13.049
  565    H8     G 213           H8         G 213   4.957  -6.438  -9.338
  566    H1     G 213           H1         G 213  10.730  -5.608 -12.143
  567   1H2     G 213          1H2         G 213  10.473  -5.254 -14.157
  568   2H2     G 213          2H2         G 213   8.923  -5.191 -14.967
  569   1H5*    C 214          1H5*        C 214   1.530  -9.655 -14.319
  570   2H5*    C 214          2H5*        C 214   1.804 -11.334 -13.853
  571    H4*    C 214           H4*        C 214   3.517  -9.981 -15.355
  572    H3*    C 214           H3*        C 214   4.474 -11.852 -13.153
  573   1H2*    C 214          1H2*        C 214   6.432 -11.927 -14.441
  574   2HO*    C 214          2HO*        C 214   6.036 -11.013 -16.752
  575    H1*    C 214           H1*        C 214   6.425  -9.289 -15.267
  576   1H4     C 214          1H4         C 214   9.739  -8.800  -9.863
  577   2H4     C 214          2H4         C 214   8.352  -9.310  -8.927
  578    H5     C 214           H5         C 214   6.283  -9.938  -9.877
  579    H6     C 214           H6         C 214   5.023 -10.232 -11.980
  580   1H5*    U 215          1H5*        U 215   5.193 -14.311 -16.921
  581   2H5*    U 215          2H5*        U 215   5.563 -15.893 -16.236
  582    H4*    U 215           H4*        U 215   7.378 -14.406 -17.488
  583    H3*    U 215           H3*        U 215   7.656 -16.422 -15.319
  584   1H2*    U 215          1H2*        U 215   9.629 -15.576 -14.567
  585   2HO*    U 215          2HO*        U 215  10.426 -16.475 -16.568
  586    H1*    U 215           H1*        U 215   9.665 -13.128 -16.182
  587    H3     U 215           H3         U 215  11.182 -11.525 -12.233
  588    H5     U 215           H5         U 215   7.236 -12.652 -11.395
  589    H6     U 215           H6         U 215   7.140 -13.623 -13.645
  590   1H5*    A 216          1H5*        A 216  10.328 -17.581 -18.231
  591   2H5*    A 216          2H5*        A 216  10.632 -19.291 -18.533
  592    H4*    A 216           H4*        A 216  12.550 -18.343 -17.464
  593    H3*    A 216           H3*        A 216  10.946 -20.203 -15.715
  594   1H2*    A 216          1H2*        A 216  12.422 -19.871 -13.975
  595   2HO*    A 216          2HO*        A 216  14.444 -18.798 -15.618
  596    H1*    A 216           H1*        A 216  13.269 -17.243 -14.992
  597    H8     A 216           H8         A 216   9.743 -17.901 -13.793
  598   1H6     A 216          1H6         A 216  11.565 -15.448  -8.350
  599   2H6     A 216          2H6         A 216  10.184 -16.039  -9.248
  600    H2     A 216           H2         A 216  15.140 -15.854 -10.958
  601   1H5*    G 217          1H5*        G 217  14.682 -21.555 -16.096
  602   2H5*    G 217          2H5*        G 217  15.089 -23.271 -16.055
  603    H4*    G 217           H4*        G 217  16.093 -22.436 -14.143
  604    H3*    G 217           H3*        G 217  13.390 -23.537 -13.333
  605   1H2*    G 217          1H2*        G 217  14.019 -23.215 -11.098
  606   2HO*    G 217          2HO*        G 217  16.657 -22.484 -11.676
  607    H1*    G 217           H1*        G 217  15.467 -20.792 -11.732
  608    H8     G 217           H8         G 217  11.831 -21.302 -12.716
  609    H1     G 217           H1         G 217  12.722 -18.130  -7.146
  610   1H2     G 217          1H2         G 217  14.726 -18.142  -6.659
  611   2H2     G 217          2H2         G 217  15.979 -18.900  -7.617
  612   1H5*    U 218          1H5*        U 218  16.336 -25.424 -11.683
  613   2H5*    U 218          2H5*        U 218  16.429 -27.116 -11.192
  614    H4*    U 218           H4*        U 218  16.565 -25.742  -9.240
  615    H3*    U 218           H3*        U 218  13.945 -27.216  -9.516
  616   1H2*    U 218          1H2*        U 218  13.179 -26.195  -7.623
  617   2HO*    U 218          2HO*        U 218  15.227 -25.718  -6.096
  618    H1*    U 218           H1*        U 218  15.230 -24.102  -7.536
  619    H3     U 218           H3         U 218  11.679 -21.475  -6.692
  620    H5     U 218           H5         U 218  10.770 -23.115 -10.436
  621    H6     U 218           H6         U 218  12.785 -24.495 -10.211
  622   1H5*    C 219          1H5*        C 219  15.387 -28.583  -6.223
  623   2H5*    C 219          2H5*        C 219  15.099 -30.239  -5.690
  624    H4*    C 219           H4*        C 219  13.685 -29.135  -4.293
  625    H3*    C 219           H3*        C 219  11.939 -29.477  -6.758
  626   1H2*    C 219          1H2*        C 219  10.154 -28.905  -5.343
  627   2HO*    C 219          2HO*        C 219  10.763 -30.353  -3.700
  628    H1*    C 219           H1*        C 219  11.640 -26.995  -3.866
  629   1H4     C 219          1H4         C 219   8.677 -23.088  -7.902
  630   2H4     C 219          2H4         C 219   9.025 -24.146  -9.250
  631    H5     C 219           H5         C 219  10.212 -26.179  -9.055
  632    H6     C 219           H6         C 219  11.368 -27.711  -7.503
  633   1H5*    C 220          1H5*        C 220   9.388 -32.707  -6.457
  634   2H5*    C 220          2H5*        C 220   9.680 -33.075  -8.157
  635    H4*    C 220           H4*        C 220   7.801 -31.919  -8.513
  636    H3*    C 220           H3*        C 220   9.735 -29.642  -8.033
  637   1H2*    C 220          1H2*        C 220   7.961 -28.209  -8.036
  638   2HO*    C 220          2HO*        C 220   6.571 -29.921  -9.847
  639    H1*    C 220           H1*        C 220   5.752 -29.912  -7.704
  640   1H4     C 220          1H4         C 220   6.373 -27.519  -1.846
  641   2H4     C 220          2H4         C 220   7.958 -28.242  -1.685
  642    H5     C 220           H5         C 220   9.029 -29.461  -3.401
  643    H6     C 220           H6         C 220   8.840 -30.295  -5.718
   
  No H/Q in entry =         643
  Start of MODEL   10
    1    H    MET   1           HN       MET   1   0.654  -8.113   5.670
    2    HA   MET   1           HA       MET   1   0.390 -10.237   4.947
    3   1HB   MET   1          2HB       MET   1  -1.417 -10.169   3.234
    4   2HB   MET   1          3HB       MET   1  -1.613  -8.838   4.358
    5   1HG   MET   1          2HG       MET   1  -1.585  -7.411   2.592
    6   2HG   MET   1          3HG       MET   1   0.098  -7.824   2.333
    7   1HE   MET   1          1HE       MET   1  -3.001  -7.365   1.085
    8   2HE   MET   1          2HE       MET   1  -2.078  -7.218  -0.431
    9   3HE   MET   1          3HE       MET   1  -3.336  -8.468  -0.273
   10    H    GLN   2           HN       GLN   2   0.195 -11.707   2.791
   11    HA   GLN   2           HA       GLN   2   2.625 -12.242   1.915
   12   1HB   GLN   2          2HB       GLN   2   0.052 -13.079   1.267
   13   2HB   GLN   2          3HB       GLN   2   0.651 -12.497  -0.274
   14   1HG   GLN   2          2HG       GLN   2   1.677 -14.519  -0.476
   15   2HG   GLN   2          3HG       GLN   2   2.840 -13.921   0.690
   16   1HE2  GLN   2          2HE2      GLN   2   1.292 -17.230   1.708
   17   2HE2  GLN   2          1HE2      GLN   2   1.975 -16.625   0.235
   18    H    LYS   3           HN       LYS   3   4.163 -11.448   0.496
   19    HA   LYS   3           HA       LYS   3   3.601  -9.906  -1.738
   20   1HB   LYS   3          2HB       LYS   3   4.329  -7.670  -0.995
   21   2HB   LYS   3          3HB       LYS   3   2.821  -8.169  -0.254
   22   1HG   LYS   3          2HG       LYS   3   4.348  -9.065   1.702
   23   2HG   LYS   3          3HG       LYS   3   5.581  -8.032   1.004
   24   1HD   LYS   3          2HD       LYS   3   3.748  -6.152   1.077
   25   2HD   LYS   3          3HD       LYS   3   2.895  -7.220   2.173
   26   1HE   LYS   3          2HE       LYS   3   5.816  -6.669   2.714
   27   2HE   LYS   3          3HE       LYS   3   4.658  -5.405   3.077
   28   1HZ   LYS   3          1HZ       LYS   3   4.118  -6.526   4.928
   29   2HZ   LYS   3          2HZ       LYS   3   3.634  -7.823   4.070
   30    H    GLY   4           HN       GLY   4   5.090 -11.879  -2.003
   31   1HA   GLY   4          1HA       GLY   4   7.688 -11.928  -0.998
   32   2HA   GLY   4          2HA       GLY   4   7.133 -12.679  -2.481
   33    H    ASN   5           HN       ASN   5   6.193  -9.976  -3.570
   34    HA   ASN   5           HA       ASN   5   8.446  -9.411  -5.029
   35   1HB   ASN   5          2HB       ASN   5   5.816  -8.704  -5.195
   36   2HB   ASN   5          3HB       ASN   5   6.450  -7.202  -4.552
   37   1HD2  ASN   5          2HD2      ASN   5   7.778  -6.061  -7.528
   38   2HD2  ASN   5          1HD2      ASN   5   7.297  -5.786  -5.887
   39    H    PHE   6           HN       PHE   6   7.584  -8.600  -1.774
   40    HA   PHE   6           HA       PHE   6   8.658  -6.059  -1.487
   41   1HB   PHE   6          2HB       PHE   6   7.325  -7.101   0.268
   42   2HB   PHE   6          3HB       PHE   6   8.316  -8.547   0.263
   43    HD1  PHE   6           HD2      PHE   6  10.770  -8.273   1.054
   44    HD2  PHE   6           HD1      PHE   6   7.718  -5.434   1.844
   45    HE1  PHE   6           HE2      PHE   6  12.116  -7.358   2.964
   46    HE2  PHE   6           HE1      PHE   6   9.064  -4.518   3.755
   47    HZ   PHE   6           HZ       PHE   6  11.247  -5.490   4.292
   48    H    ARG   7           HN       ARG   7  10.219  -9.079  -2.187
   49    HA   ARG   7           HA       ARG   7  12.586  -8.730  -0.828
   50   1HB   ARG   7          2HB       ARG   7  11.505 -10.546  -2.728
   51   2HB   ARG   7          3HB       ARG   7  12.977  -9.950  -3.471
   52   1HG   ARG   7          2HG       ARG   7  14.320 -10.626  -1.557
   53   2HG   ARG   7          3HG       ARG   7  12.894 -10.965  -0.595
   54   1HD   ARG   7          2HD       ARG   7  14.159 -12.968  -1.751
   55   2HD   ARG   7          3HD       ARG   7  12.406 -12.956  -1.757
   56    HE   ARG   7           HE       ARG   7  14.177 -12.417  -4.073
   57   1HH1  ARG   7          1HH2      ARG   7  10.135 -12.519  -4.364
   58   2HH1  ARG   7          2HH2      ARG   7  10.872 -12.494  -2.797
   59    HH2  ARG   7           HH1      ARG   7  11.525 -12.491  -6.315
   60    H    ASN   8           HN       ASN   8  11.201  -6.848  -3.328
   61    HA   ASN   8           HA       ASN   8  13.317  -6.242  -4.937
   62   1HB   ASN   8          2HB       ASN   8  12.112  -4.064  -5.336
   63   2HB   ASN   8          3HB       ASN   8  11.029  -5.441  -5.390
   64   1HD2  ASN   8          2HD2      ASN   8   9.970  -2.447  -3.150
   65   2HD2  ASN   8          1HD2      ASN   8  10.853  -2.479  -4.640
   66    H    GLN   9           HN       GLN   9  12.681  -5.474  -1.567
   67    HA   GLN   9           HA       GLN   9  14.072  -3.097  -1.344
   68   1HB   GLN   9          2HB       GLN   9  13.115  -5.241   0.495
   69   2HB   GLN   9          3HB       GLN   9  14.431  -4.264   1.117
   70   1HG   GLN   9          2HG       GLN   9  13.076  -2.462   1.428
   71   2HG   GLN   9          3HG       GLN   9  12.423  -2.578  -0.195
   72   1HE2  GLN   9          1HE2      GLN   9  10.983  -1.910   2.141
   73   2HE2  GLN   9          2HE2      GLN   9   9.763  -3.106   2.419
   74    H    ARG  10           HN       ARG  10  15.196  -6.193  -2.218
   75    HA   ARG  10           HA       ARG  10  17.652  -6.158  -0.874
   76   1HB   ARG  10          2HB       ARG  10  18.247  -8.020  -2.348
   77   2HB   ARG  10          3HB       ARG  10  16.569  -8.207  -1.879
   78   1HG   ARG  10          2HG       ARG  10  15.859  -8.045  -4.033
   79   2HG   ARG  10          3HG       ARG  10  16.758  -6.562  -4.288
   80   1HD   ARG  10          2HD       ARG  10  18.437  -9.029  -4.149
   81   2HD   ARG  10          3HD       ARG  10  17.341  -8.963  -5.516
   82    HE   ARG  10           HE       ARG  10  18.455  -6.986  -6.315
   83   1HH1  ARG  10          2HH2      ARG  10  19.902  -8.230  -3.330
   84   2HH1  ARG  10          1HH2      ARG  10  21.362  -7.316  -3.511
   85    HH2  ARG  10           HH1      ARG  10  21.623  -5.884  -5.414
   86    H    LYS  11           HN       LYS  11  16.419  -4.111  -3.237
   87    HA   LYS  11           HA       LYS  11  19.121  -3.519  -4.219
   88   1HB   LYS  11          2HB       LYS  11  17.849  -4.616  -5.996
   89   2HB   LYS  11          3HB       LYS  11  16.540  -3.466  -5.810
   90   1HG   LYS  11          2HG       LYS  11  17.824  -1.660  -6.668
   91   2HG   LYS  11          3HG       LYS  11  19.349  -2.457  -6.342
   92   1HD   LYS  11          2HD       LYS  11  19.287  -3.689  -8.293
   93   2HD   LYS  11          3HD       LYS  11  17.553  -3.932  -8.212
   94   1HE   LYS  11          2HE       LYS  11  17.888  -2.500 -10.101
   95   2HE   LYS  11          3HE       LYS  11  17.295  -1.443  -8.835
   96   1HZ   LYS  11          1HZ       LYS  11  19.492  -0.645  -8.440
   97   2HZ   LYS  11          2HZ       LYS  11  20.195  -1.811  -9.332
   98    H    THR  12           HN       THR  12  18.013  -2.472  -1.830
   99    HA   THR  12           HA       THR  12  17.195  -0.583  -0.877
  100    HB   THR  12           HB       THR  12  19.733  -0.386  -1.568
  101    HG1  THR  12           HG1      THR  12  17.954   1.905  -1.107
  102   1HG2  THR  12          3HG2      THR  12  18.563   0.760  -3.884
  103   2HG2  THR  12          1HG2      THR  12  19.095   2.149  -2.907
  104   3HG2  THR  12          2HG2      THR  12  20.266   0.897  -3.387
  105    H    VAL  13           HN       VAL  13  15.274  -1.314  -2.660
  106    HA   VAL  13           HA       VAL  13  14.583   0.202  -4.738
  107    HB   VAL  13           HB       VAL  13  12.213  -0.031  -3.898
  108   1HG1  VAL  13          1HG1      VAL  13  14.178  -2.140  -4.479
  109   2HG1  VAL  13          2HG1      VAL  13  12.729  -2.724  -3.627
  110   3HG1  VAL  13          3HG1      VAL  13  12.563  -1.852  -5.169
  111   1HG2  VAL  13          3HG2      VAL  13  13.677  -1.186  -1.511
  112   2HG2  VAL  13          1HG2      VAL  13  12.446   0.100  -1.539
  113   3HG2  VAL  13          2HG2      VAL  13  11.984  -1.583  -1.892
  114    H    LYS  14           HN       LYS  14  13.265   2.162  -5.048
  115    HA   LYS  14           HA       LYS  14  13.868   4.124  -2.949
  116   1HB   LYS  14          2HB       LYS  14  14.093   5.772  -4.623
  117   2HB   LYS  14          3HB       LYS  14  14.987   4.380  -5.201
  118   1HG   LYS  14          2HG       LYS  14  12.390   3.932  -6.178
  119   2HG   LYS  14          3HG       LYS  14  12.588   5.666  -6.339
  120   1HD   LYS  14          2HD       LYS  14  15.017   4.253  -7.185
  121   2HD   LYS  14          3HD       LYS  14  13.617   3.674  -8.067
  122   1HE   LYS  14          2HE       LYS  14  13.073   6.284  -8.300
  123   2HE   LYS  14          3HE       LYS  14  14.788   6.462  -7.985
  124   1HZ   LYS  14          1HZ       LYS  14  14.673   4.469  -9.856
  125   2HZ   LYS  14          2HZ       LYS  14  13.506   5.489 -10.356
  126    H    CYS  15           HN       CYS  15  12.219   5.290  -2.024
  127    HA   CYS  15           HA       CYS  15   9.612   4.274  -2.369
  128   1HB   CYS  15          2HB       CYS  15  10.444   5.111  -0.205
  129   2HB   CYS  15          3HB       CYS  15  10.563   6.732  -0.860
  130    H    PHE  16           HN       PHE  16   8.391   4.728  -4.173
  131    HA   PHE  16           HA       PHE  16   8.967   7.001  -5.781
  132   1HB   PHE  16          2HB       PHE  16   6.877   4.771  -5.637
  133   2HB   PHE  16          3HB       PHE  16   6.687   6.056  -6.813
  134    HD1  PHE  16           HD1      PHE  16   9.407   6.512  -7.758
  135    HD2  PHE  16           HD2      PHE  16   7.456   2.864  -6.810
  136    HE1  PHE  16           HE1      PHE  16  10.924   5.290  -9.340
  137    HE2  PHE  16           HE2      PHE  16   8.975   1.641  -8.391
  138    HZ   PHE  16           HZ       PHE  16  10.691   2.869  -9.637
  139    H    ASN  17           HN       ASN  17   7.619   6.949  -2.807
  140    HA   ASN  17           HA       ASN  17   5.375   8.639  -3.484
  141   1HB   ASN  17          2HB       ASN  17   5.437   6.714  -1.653
  142   2HB   ASN  17          3HB       ASN  17   6.240   7.911  -0.658
  143   1HD2  ASN  17          2HD2      ASN  17   3.042   8.770   0.467
  144   2HD2  ASN  17          1HD2      ASN  17   4.550   7.983   0.794
  145    H    CYS  18           HN       CYS  18   8.129   8.583  -1.080
  146    HA   CYS  18           HA       CYS  18   8.066  11.474  -1.000
  147   1HB   CYS  18          2HB       CYS  18   9.679  11.230   0.857
  148   2HB   CYS  18          3HB       CYS  18   8.196  10.340   1.135
  149    H    GLY  19           HN       GLY  19  10.174   8.688  -1.918
  150   1HA   GLY  19          1HA       GLY  19  11.528   8.848  -3.868
  151   2HA   GLY  19          2HA       GLY  19  11.782  10.552  -3.544
  152    H    LYS  20           HN       LYS  20  11.830   8.139  -0.921
  153    HA   LYS  20           HA       LYS  20  14.717   8.621  -0.689
  154   1HB   LYS  20          2HB       LYS  20  12.543   8.252   1.367
  155   2HB   LYS  20          3HB       LYS  20  14.217   7.919   1.763
  156   1HG   LYS  20          2HG       LYS  20  14.846  10.229   1.009
  157   2HG   LYS  20          3HG       LYS  20  13.165  10.559   0.637
  158   1HD   LYS  20          2HD       LYS  20  13.552   9.509   3.379
  159   2HD   LYS  20          3HD       LYS  20  14.407  11.012   3.098
  160   1HE   LYS  20          2HE       LYS  20  12.328  12.106   2.335
  161   2HE   LYS  20          3HE       LYS  20  11.450  10.594   2.450
  162   1HZ   LYS  20          1HZ       LYS  20  10.990  11.352   4.526
  163   2HZ   LYS  20          2HZ       LYS  20  12.472  10.811   4.930
  164    H    GLU  21           HN       GLU  21  16.123   6.888  -0.595
  165    HA   GLU  21           HA       GLU  21  14.979   4.402  -1.420
  166   1HB   GLU  21          2HB       GLU  21  17.710   5.615  -1.295
  167   2HB   GLU  21          3HB       GLU  21  17.645   3.870  -1.161
  168   1HG   GLU  21          2HG       GLU  21  17.112   3.614  -3.362
  169   2HG   GLU  21          3HG       GLU  21  15.859   4.837  -3.285
  170    HE2  GLU  21           HE2      GLU  21  17.346   7.413  -3.488
  171    H    GLY  22           HN       GLY  22  14.940   2.452  -0.241
  172   1HA   GLY  22          1HA       GLY  22  15.901   1.218   1.645
  173   2HA   GLY  22          2HA       GLY  22  15.760   2.684   2.594
  174    H    HIS  23           HN       HIS  23  13.154   2.427   0.367
  175    HA   HIS  23           HA       HIS  23  11.499   0.616   1.659
  176   1HB   HIS  23          2HB       HIS  23  10.182   1.848   3.122
  177   2HB   HIS  23          3HB       HIS  23  11.811   2.374   3.497
  178    HD1  HIS  23           HD1      HIS  23  12.493   4.819   2.779
  179    HD2  HIS  23           HD2      HIS  23   8.483   3.821   2.056
  180    HE1  HIS  23           HE1      HIS  23  11.284   7.015   2.303
  181    H    ILE  24           HN       ILE  24   9.219   0.777   0.824
  182    HA   ILE  24           HA       ILE  24   9.222   2.289  -1.696
  183    HB   ILE  24           HB       ILE  24   8.030   0.561  -2.720
  184   1HG1  ILE  24          2HG1      ILE  24   7.708  -0.843  -0.055
  185   2HG1  ILE  24          3HG1      ILE  24   6.476   0.171  -0.781
  186   1HG2  ILE  24          2HG2      ILE  24  10.504  -0.015  -1.353
  187   2HG2  ILE  24          3HG2      ILE  24   9.540  -1.499  -1.544
  188   3HG2  ILE  24          1HG2      ILE  24   9.953  -0.518  -2.970
  189   1HD1  ILE  24          2HD1      ILE  24   7.718  -2.116  -2.349
  190   2HD1  ILE  24          3HD1      ILE  24   6.365  -2.394  -1.226
  191   3HD1  ILE  24          1HD1      ILE  24   6.157  -1.304  -2.618
  192    H    ALA  25           HN       ALA  25   7.058   3.054  -2.429
  193    HA   ALA  25           HA       ALA  25   5.831   4.614  -0.556
  194   1HB   ALA  25          3HB       ALA  25   4.952   3.461  -3.213
  195   2HB   ALA  25          1HB       ALA  25   3.887   4.539  -2.279
  196   3HB   ALA  25          2HB       ALA  25   5.477   5.118  -2.832
  197    H    LYS  26           HN       LYS  26   5.152   1.214  -1.482
  198    HA   LYS  26           HA       LYS  26   2.719   0.967  -0.156
  199   1HB   LYS  26          2HB       LYS  26   4.820  -1.171  -0.619
  200   2HB   LYS  26          3HB       LYS  26   3.116  -1.431  -0.305
  201   1HG   LYS  26          2HG       LYS  26   3.781   0.396  -2.593
  202   2HG   LYS  26          3HG       LYS  26   4.161  -1.301  -2.818
  203   1HD   LYS  26          2HD       LYS  26   1.472  -0.792  -1.638
  204   2HD   LYS  26          3HD       LYS  26   1.675  -0.170  -3.265
  205   1HE   LYS  26          2HE       LYS  26   2.395  -2.397  -4.070
  206   2HE   LYS  26          3HE       LYS  26   2.335  -3.039  -2.441
  207   1HZ   LYS  26          1HZ       LYS  26   0.122  -2.422  -4.230
  208   2HZ   LYS  26          2HZ       LYS  26   0.242  -3.601  -3.112
  209    H    ASN  27           HN       ASN  27   6.122   0.554   0.973
  210    HA   ASN  27           HA       ASN  27   5.124  -0.007   3.613
  211   1HB   ASN  27          2HB       ASN  27   7.905   0.076   2.356
  212   2HB   ASN  27          3HB       ASN  27   7.700  -0.082   4.089
  213   1HD2  ASN  27          2HD2      ASN  27   6.264  -3.078   1.589
  214   2HD2  ASN  27          1HD2      ASN  27   6.247  -1.412   1.115
  215    H    CYS  28           HN       CYS  28   5.352   2.712   1.817
  216    HA   CYS  28           HA       CYS  28   6.931   4.363   3.532
  217   1HB   CYS  28          2HB       CYS  28   6.776   4.808   1.113
  218   2HB   CYS  28          3HB       CYS  28   5.054   5.100   1.261
  219    H    ARG  29           HN       ARG  29   6.164   5.721   5.189
  220    HA   ARG  29           HA       ARG  29   3.614   5.046   6.198
  221   1HB   ARG  29          2HB       ARG  29   5.981   6.641   7.080
  222   2HB   ARG  29          3HB       ARG  29   4.450   7.202   7.722
  223   1HG   ARG  29          2HG       ARG  29   4.791   4.248   7.819
  224   2HG   ARG  29          3HG       ARG  29   5.955   5.130   8.786
  225   1HD   ARG  29          2HD       ARG  29   3.069   5.977   8.988
  226   2HD   ARG  29          3HD       ARG  29   3.514   4.458   9.737
  227    HE   ARG  29           HE       ARG  29   5.486   6.230  10.593
  228   1HH1  ARG  29          2HH2      ARG  29   1.948   6.172  10.770
  229   2HH1  ARG  29          1HH2      ARG  29   1.883   7.080  12.242
  230    HH2  ARG  29           HH1      ARG  29   3.924   7.809  13.264
  231    H    ALA  30           HN       ALA  30   5.066   7.704   4.330
  232    HA   ALA  30           HA       ALA  30   3.160   9.676   4.802
  233   1HB   ALA  30          1HB       ALA  30   4.896   9.075   2.375
  234   2HB   ALA  30          2HB       ALA  30   4.005  10.595   2.630
  235   3HB   ALA  30          3HB       ALA  30   5.308  10.128   3.749
  236    HA   PRO  31           HA       PRO  31  -0.273   8.311   2.554
  237   1HB   PRO  31          2HB       PRO  31  -1.472  10.663   1.849
  238   2HB   PRO  31          3HB       PRO  31  -1.616   9.956   3.445
  239   1HG   PRO  31          2HG       PRO  31   0.005  12.274   2.583
  240   2HG   PRO  31          3HG       PRO  31  -0.484  11.818   4.203
  241   1HD   PRO  31          2HD       PRO  31   2.108  11.460   3.029
  242   2HD   PRO  31          3HD       PRO  31   1.586  10.902   4.605
  243    H    ARG  32           HN       ARG  32  -1.295   7.944   0.512
  244    HA   ARG  32           HA       ARG  32   0.556   7.799  -1.484
  245   1HB   ARG  32          2HB       ARG  32  -2.066   6.953  -1.102
  246   2HB   ARG  32          3HB       ARG  32  -2.262   8.108  -2.405
  247   1HG   ARG  32          2HG       ARG  32  -1.740   6.267  -3.697
  248   2HG   ARG  32          3HG       ARG  32  -0.102   6.803  -3.379
  249   1HD   ARG  32          2HD       ARG  32  -1.380   4.962  -1.361
  250   2HD   ARG  32          3HD       ARG  32  -0.887   4.268  -2.892
  251    HE   ARG  32           HE       ARG  32   1.405   4.812  -2.403
  252   1HH1  ARG  32          2HH2      ARG  32  -0.794   5.784   0.201
  253   2HH1  ARG  32          1HH2      ARG  32   0.474   5.975   1.367
  254    HH2  ARG  32           HH1      ARG  32   2.740   5.546   0.718
  255    H    LYS  33           HN       LYS  33   1.609   9.549  -2.396
  256    HA   LYS  33           HA       LYS  33  -0.095  11.744  -3.328
  257   1HB   LYS  33          2HB       LYS  33   1.662  11.953  -1.183
  258   2HB   LYS  33          3HB       LYS  33   2.593  12.584  -2.527
  259   1HG   LYS  33          2HG       LYS  33   0.028  13.692  -2.908
  260   2HG   LYS  33          3HG       LYS  33   0.253  13.749  -1.172
  261   1HD   LYS  33          2HD       LYS  33   2.733  14.606  -2.068
  262   2HD   LYS  33          3HD       LYS  33   1.678  15.244  -3.314
  263   1HE   LYS  33          2HE       LYS  33   0.419  16.550  -1.755
  264   2HE   LYS  33          3HE       LYS  33   0.982  15.622  -0.381
  265   1HZ   LYS  33          1HZ       LYS  33   2.271  17.561  -0.330
  266   2HZ   LYS  33          2HZ       LYS  33   3.291  16.515  -1.050
  267    H    LYS  34           HN       LYS  34   1.652  13.216  -4.781
  268    HA   LYS  34           HA       LYS  34   3.287  11.433  -6.363
  269   1HB   LYS  34          2HB       LYS  34   2.155  11.858  -8.452
  270   2HB   LYS  34          3HB       LYS  34   1.034  11.125  -7.322
  271   1HG   LYS  34          2HG       LYS  34   0.621  13.792  -6.771
  272   2HG   LYS  34          3HG       LYS  34   1.041  13.883  -8.470
  273   1HD   LYS  34          2HD       LYS  34  -0.802  11.658  -7.990
  274   2HD   LYS  34          3HD       LYS  34  -1.471  13.152  -7.364
  275   1HE   LYS  34          2HE       LYS  34  -0.449  13.981  -9.812
  276   2HE   LYS  34          3HE       LYS  34  -0.964  12.346 -10.179
  277   1HZ   LYS  34          1HZ       LYS  34  -2.749  14.253  -8.778
  278   2HZ   LYS  34          2HZ       LYS  34  -2.718  14.142 -10.402
  279    H    GLY  35           HN       GLY  35   4.367  13.236  -4.750
  280   1HA   GLY  35          1HA       GLY  35   4.639  15.766  -6.212
  281   2HA   GLY  35          2HA       GLY  35   5.151  15.432  -4.570
  282    H    CYS  36           HN       CYS  36   6.378  16.158  -7.505
  283    HA   CYS  36           HA       CYS  36   8.273  14.191  -8.006
  284   1HB   CYS  36          2HB       CYS  36   7.827  15.773  -9.718
  285   2HB   CYS  36          3HB       CYS  36   8.152  17.139  -8.670
  286    H    TRP  37           HN       TRP  37   9.953  13.540  -6.710
  287    HA   TRP  37           HA       TRP  37  10.716  15.200  -4.482
  288   1HB   TRP  37          2HB       TRP  37  12.357  12.866  -4.836
  289   2HB   TRP  37          3HB       TRP  37  11.265  13.285  -3.531
  290    HD1  TRP  37           HD1      TRP  37   8.573  12.517  -3.976
  291    HE1  TRP  37           HE1      TRP  37   7.535  10.409  -5.177
  292    HE3  TRP  37           HE3      TRP  37  12.742  11.324  -6.631
  293    HZ2  TRP  37           HZ2      TRP  37   8.552   8.521  -7.060
  294    HZ3  TRP  37           HZ3      TRP  37  12.635   9.333  -8.127
  295    HH2  TRP  37           HH2      TRP  37  10.634   7.951  -8.365
  296    H    LYS  38           HN       LYS  38  11.176  16.431  -7.031
  297    HA   LYS  38           HA       LYS  38  14.103  16.498  -6.980
  298   1HB   LYS  38          2HB       LYS  38  12.675  15.331  -9.040
  299   2HB   LYS  38          3HB       LYS  38  12.930  16.960  -9.632
  300   1HG   LYS  38          2HG       LYS  38  15.142  15.170  -8.519
  301   2HG   LYS  38          3HG       LYS  38  14.797  15.365 -10.225
  302   1HD   LYS  38          2HD       LYS  38  16.018  17.273 -10.298
  303   2HD   LYS  38          3HD       LYS  38  15.018  17.998  -9.056
  304   1HE   LYS  38          2HE       LYS  38  16.631  17.718  -7.478
  305   2HE   LYS  38          3HE       LYS  38  16.800  16.017  -7.860
  306   1HZ   LYS  38          1HZ       LYS  38  17.954  17.882  -9.786
  307   2HZ   LYS  38          2HZ       LYS  38  18.724  17.769  -8.355
  308    H    CYS  39           HN       CYS  39  11.029  18.094  -8.038
  309    HA   CYS  39           HA       CYS  39  12.387  20.647  -7.580
  310   1HB   CYS  39          2HB       CYS  39  10.548  21.618  -8.995
  311   2HB   CYS  39          3HB       CYS  39  11.645  20.547  -9.843
  312    H    GLY  40           HN       GLY  40   9.649  18.496  -6.810
  313   1HA   GLY  40          1HA       GLY  40   8.606  18.502  -4.722
  314   2HA   GLY  40          2HA       GLY  40   9.024  20.189  -4.499
  315    H    LYS  41           HN       LYS  41   7.788  19.164  -7.648
  316    HA   LYS  41           HA       LYS  41   5.380  20.718  -7.109
  317   1HB   LYS  41          2HB       LYS  41   7.174  20.689  -9.235
  318   2HB   LYS  41          3HB       LYS  41   5.798  19.798  -9.854
  319   1HG   LYS  41          2HG       LYS  41   5.054  22.231  -8.317
  320   2HG   LYS  41          3HG       LYS  41   5.996  22.568  -9.755
  321   1HD   LYS  41          2HD       LYS  41   4.249  20.762 -10.809
  322   2HD   LYS  41          3HD       LYS  41   3.244  21.390  -9.518
  323   1HE   LYS  41          2HE       LYS  41   2.890  23.342 -10.631
  324   2HE   LYS  41          3HE       LYS  41   4.607  23.588 -10.882
  325   1HZ   LYS  41          1HZ       LYS  41   2.828  21.918 -12.576
  326   2HZ   LYS  41          2HZ       LYS  41   3.538  23.318 -13.010
  327    H    GLU  42           HN       GLU  42   3.428  19.773  -6.810
  328    HA   GLU  42           HA       GLU  42   3.358  16.912  -6.978
  329   1HB   GLU  42          2HB       GLU  42   1.161  17.142  -5.855
  330   2HB   GLU  42          3HB       GLU  42   2.408  18.029  -5.003
  331   1HG   GLU  42          2HG       GLU  42   1.191  19.928  -5.203
  332   2HG   GLU  42          3HG       GLU  42   1.332  19.833  -6.948
  333    HE2  GLU  42           HE2      GLU  42  -1.018  20.762  -6.397
  334    H    GLY  43           HN       GLY  43   2.651  15.813  -8.754
  335   1HA   GLY  43          1HA       GLY  43   0.480  15.819 -10.152
  336   2HA   GLY  43          2HA       GLY  43   1.139  17.317 -10.780
  337    H    HIS  44           HN       HIS  44   3.880  16.820 -10.963
  338    HA   HIS  44           HA       HIS  44   3.879  14.711 -12.983
  339   1HB   HIS  44          2HB       HIS  44   5.590  15.875 -14.092
  340   2HB   HIS  44          3HB       HIS  44   4.432  17.097 -13.605
  341    HD1  HIS  44           HD1      HIS  44   5.236  18.946 -12.030
  342    HD2  HIS  44           HD2      HIS  44   8.049  15.880 -12.559
  343    HE1  HIS  44           HE1      HIS  44   7.404  19.774 -10.970
  344    H    GLN  45           HN       GLN  45   6.315  13.790 -13.233
  345    HA   GLN  45           HA       GLN  45   7.207  13.176 -10.526
  346   1HB   GLN  45          2HB       GLN  45   7.552  10.854 -11.138
  347   2HB   GLN  45          3HB       GLN  45   5.902  11.282 -11.543
  348   1HG   GLN  45          2HG       GLN  45   7.241  11.942 -13.887
  349   2HG   GLN  45          3HG       GLN  45   8.156  10.552 -13.335
  350   1HE2  GLN  45          2HE2      GLN  45   5.883   8.384 -14.772
  351   2HE2  GLN  45          1HE2      GLN  45   7.514   8.912 -14.524
  352    H    MET  46           HN       MET  46   9.539  12.295 -10.509
  353    HA   MET  46           HA       MET  46  11.209  14.127 -11.609
  354   1HB   MET  46          2HB       MET  46  11.633  12.371  -9.755
  355   2HB   MET  46          3HB       MET  46  11.917  11.200 -11.027
  356   1HG   MET  46          2HG       MET  46  13.729  12.745 -11.948
  357   2HG   MET  46          3HG       MET  46  13.504  13.767 -10.543
  358   1HE   MET  46          3HE       MET  46  15.533  11.615 -12.100
  359   2HE   MET  46          1HE       MET  46  16.566  12.404 -10.883
  360   3HE   MET  46          2HE       MET  46  16.414  10.630 -10.906
  361    H    LYS  47           HN       LYS  47  10.328  10.854 -12.882
  362    HA   LYS  47           HA       LYS  47  12.077  10.797 -15.013
  363   1HB   LYS  47          2HB       LYS  47  10.897   8.831 -14.350
  364   2HB   LYS  47          3HB       LYS  47   9.337   9.584 -14.603
  365   1HG   LYS  47          2HG       LYS  47  11.268   9.416 -16.926
  366   2HG   LYS  47          3HG       LYS  47  10.385   7.977 -16.455
  367   1HD   LYS  47          2HD       LYS  47   8.733  10.458 -16.669
  368   2HD   LYS  47          3HD       LYS  47   9.416   9.892 -18.180
  369   1HE   LYS  47          2HE       LYS  47   8.463   7.540 -16.937
  370   2HE   LYS  47          3HE       LYS  47   7.235   8.738 -16.580
  371   1HZ   LYS  47          1HZ       LYS  47   6.879   9.120 -18.865
  372   2HZ   LYS  47          2HZ       LYS  47   8.283   8.439 -19.330
  373    H    ASP  48           HN       ASP  48   9.038  12.583 -14.539
  374    HA   ASP  48           HA       ASP  48   9.391  13.610 -17.246
  375   1HB   ASP  48          2HB       ASP  48   6.983  12.870 -15.636
  376   2HB   ASP  48          3HB       ASP  48   6.835  14.363 -16.543
  377    HD2  ASP  48           HD2      ASP  48   5.995  13.812 -18.793
  378    H    CYS  49           HN       CYS  49  10.834  14.540 -14.869
  379    HA   CYS  49           HA       CYS  49   9.596  16.632 -13.557
  380   1HB   CYS  49          2HB       CYS  49  11.751  15.551 -12.896
  381   2HB   CYS  49          3HB       CYS  49  12.548  16.383 -14.217
  382    H    THR  50           HN       THR  50   8.657  18.400 -14.525
  383    HA   THR  50           HA       THR  50   9.430  19.212 -17.156
  384    HB   THR  50           HB       THR  50   7.079  19.267 -16.256
  385    HG1  THR  50           HG1      THR  50   8.189  20.852 -17.867
  386   1HG2  THR  50          1HG2      THR  50   8.165  20.401 -13.971
  387   2HG2  THR  50          2HG2      THR  50   7.604  21.845 -14.848
  388   3HG2  THR  50          3HG2      THR  50   6.454  20.549 -14.439
  389    H    GLU  51           HN       GLU  51  10.968  19.589 -14.229
  390    HA   GLU  51           HA       GLU  51  12.375  21.858 -15.302
  391   1HB   GLU  51          2HB       GLU  51  10.507  22.675 -13.709
  392   2HB   GLU  51          3HB       GLU  51  11.427  21.935 -12.414
  393   1HG   GLU  51          2HG       GLU  51  13.276  23.478 -13.988
  394   2HG   GLU  51          3HG       GLU  51  11.870  24.486 -13.709
  395    HE2  GLU  51           HE2      GLU  51  11.354  24.933 -11.606
  396    H    ARG  52           HN       ARG  52  13.422  19.417 -15.459
  397    HA   ARG  52           HA       ARG  52  14.477  18.107 -13.445
  398   1HB   ARG  52          2HB       ARG  52  14.867  17.866 -16.020
  399   2HB   ARG  52          3HB       ARG  52  16.253  18.912 -15.788
  400   1HG   ARG  52          2HG       ARG  52  17.077  17.284 -13.998
  401   2HG   ARG  52          3HG       ARG  52  15.772  16.207 -14.456
  402   1HD   ARG  52          2HD       ARG  52  16.740  15.668 -16.509
  403   2HD   ARG  52          3HD       ARG  52  17.508  17.234 -16.685
  404    HE   ARG  52           HE       ARG  52  18.756  16.026 -14.467
  405   1HH1  ARG  52          2HH2      ARG  52  18.391  15.312 -17.919
  406   2HH1  ARG  52          1HH2      ARG  52  19.890  14.451 -18.026
  407    HH2  ARG  52           HH1      ARG  52  21.251  14.215 -16.067
  408    H    GLN  53           HN       GLN  53  16.245  20.867 -15.051
  409    HA   GLN  53           HA       GLN  53  17.950  22.059 -14.355
  410   1HB   GLN  53          2HB       GLN  53  15.648  22.658 -12.856
  411   2HB   GLN  53          3HB       GLN  53  16.924  22.609 -11.656
  412   1HG   GLN  53          2HG       GLN  53  16.987  24.852 -12.408
  413   2HG   GLN  53          3HG       GLN  53  18.290  24.099 -13.306
  414   1HE2  GLN  53          2HE2      GLN  53  14.798  25.325 -15.143
  415   2HE2  GLN  53          1HE2      GLN  53  14.922  25.114 -13.428
  416    H    ALA  54           HN       ALA  54  19.085  19.769 -14.231
  417    HA   ALA  54           HA       ALA  54  19.602  18.617 -11.746
  418   1HB   ALA  54          3HB       ALA  54  20.289  18.229 -14.472
  419   2HB   ALA  54          1HB       ALA  54  21.825  18.339 -13.579
  420   3HB   ALA  54          2HB       ALA  54  20.602  17.135 -13.104
  421    H    ASN  55           HN       ASN  55  21.789  20.730 -13.751
  422    HA   ASN  55           HA       ASN  55  22.397  22.417 -11.659
  423   1HB   ASN  55          2HB       ASN  55  23.544  20.378 -10.711
  424   2HB   ASN  55          3HB       ASN  55  24.521  20.264 -12.161
  425   1HD2  ASN  55          2HD2      ASN  55  26.517  21.972  -9.556
  426   2HD2  ASN  55          1HD2      ASN  55  25.743  20.438  -9.777
  427   1H5*    G 201          1H5*        G 201  -1.071 -18.759  -4.615
  428   2H5*    G 201          2H5*        G 201   0.052 -17.803  -3.649
  429    H4*    G 201           H4*        G 201  -0.098 -20.240  -3.059
  430    H3*    G 201           H3*        G 201   2.693 -19.404  -3.934
  431   1H2*    G 201          1H2*        G 201   3.324 -21.091  -2.406
  432   2HO*    G 201          2HO*        G 201   2.133 -20.774  -0.610
  433    H1*    G 201           H1*        G 201   1.239 -22.822  -3.073
  434    H8     G 201           H8         G 201   3.107 -20.690  -5.655
  435    H1     G 201           H1         G 201   4.931 -26.890  -5.318
  436   1H2     G 201          1H2         G 201   3.901 -27.829  -3.799
  437   2H2     G 201          2H2         G 201   2.718 -27.054  -2.770
  438   1H5*    G 202          1H5*        G 202   2.996 -19.089   0.036
  439   2H5*    G 202          2H5*        G 202   3.715 -17.594   0.634
  440    H4*    G 202           H4*        G 202   4.967 -19.280   1.641
  441    H3*    G 202           H3*        G 202   6.368 -18.003  -0.643
  442   1H2*    G 202          1H2*        G 202   8.137 -19.551  -0.653
  443   2HO*    G 202          2HO*        G 202   8.630 -20.031   1.407
  444    H1*    G 202           H1*        G 202   6.410 -21.789  -0.232
  445    H8     G 202           H8         G 202   5.795 -19.087  -2.865
  446    H1     G 202           H1         G 202   8.571 -24.504  -5.064
  447   1H2     G 202          1H2         G 202   8.972 -25.764  -3.481
  448   2H2     G 202          2H2         G 202   8.611 -25.405  -1.806
  449   1H5*    A 203          1H5*        A 203   8.971 -17.871   2.528
  450   2H5*    A 203          2H5*        A 203   9.999 -16.465   2.800
  451    H4*    A 203           H4*        A 203  11.379 -18.328   2.212
  452    H3*    A 203           H3*        A 203  11.156 -16.291  -0.019
  453   1H2*    A 203          1H2*        A 203  12.807 -17.463  -1.162
  454   2HO*    A 203          2HO*        A 203  14.427 -18.308   0.082
  455    H1*    A 203           H1*        A 203  12.069 -20.044  -0.250
  456    H8     A 203           H8         A 203   9.508 -17.511  -1.523
  457   1H6     A 203          1H6         A 203   9.767 -20.667  -6.902
  458   2H6     A 203          2H6         A 203   8.962 -19.360  -6.063
  459    H2     A 203           H2         A 203  12.780 -22.394  -4.131
  460   1H5*    C 204          1H5*        C 204  15.475 -16.362   1.045
  461   2H5*    C 204          2H5*        C 204  16.123 -14.844   0.425
  462    H4*    C 204           H4*        C 204  17.090 -16.830  -0.666
  463    H3*    C 204           H3*        C 204  15.546 -14.867  -2.358
  464   1H2*    C 204          1H2*        C 204  16.162 -16.062  -4.280
  465   2HO*    C 204          2HO*        C 204  17.851 -17.914  -3.350
  466    H1*    C 204           H1*        C 204  15.879 -18.614  -3.070
  467   1H4     C 204          1H4         C 204  10.491 -18.070  -6.415
  468   2H4     C 204          2H4         C 204   9.955 -16.765  -5.382
  469    H5     C 204           H5         C 204  11.255 -15.851  -3.635
  470    H6     C 204           H6         C 204  13.413 -15.967  -2.438
  471   1H5*    U 205          1H5*        U 205  19.445 -14.962  -3.183
  472   2H5*    U 205          2H5*        U 205  20.561 -13.635  -3.509
  473    H4*    U 205           H4*        U 205  20.664 -14.916  -5.438
  474    H3*    U 205           H3*        U 205  18.681 -12.682  -5.909
  475   1H2*    U 205          1H2*        U 205  18.447 -13.404  -8.097
  476   2HO*    U 205          2HO*        U 205  20.488 -15.045  -8.513
  477    H1*    U 205           H1*        U 205  18.923 -16.165  -7.617
  478    H3     U 205           H3         U 205  14.675 -16.458  -9.055
  479    H5     U 205           H5         U 205  14.316 -14.262  -5.507
  480    H6     U 205           H6         U 205  16.765 -14.252  -5.382
  481   1H5*    A 206          1H5*        A 206  21.277 -12.161  -8.419
  482   2H5*    A 206          2H5*        A 206  22.000 -10.657  -8.989
  483    H4*    A 206           H4*        A 206  20.605 -11.634 -10.707
  484    H3*    A 206           H3*        A 206  19.534  -9.064  -9.521
  485   1H2*    A 206          1H2*        A 206  17.801  -9.148 -11.025
  486   2HO*    A 206          2HO*        A 206  19.549  -9.123 -12.645
  487    H1*    A 206           H1*        A 206  18.034 -12.015 -11.544
  488    H8     A 206           H8         A 206  17.188 -10.692  -8.101
  489   1H6     A 206          1H6         A 206  11.219 -11.677  -9.631
  490   2H6     A 206          2H6         A 206  12.292 -11.226  -8.324
  491    H2     A 206           H2         A 206  13.715 -12.394 -13.236
  492   1H5*    G 207          1H5*        G 207  20.777  -7.692 -13.279
  493   2H5*    G 207          2H5*        G 207  20.652  -5.935 -13.386
  494    H4*    G 207           H4*        G 207  18.695  -7.131 -14.310
  495    H3*    G 207           H3*        G 207  17.953  -5.502 -11.849
  496   1H2*    G 207          1H2*        G 207  15.854  -5.401 -12.914
  497   2HO*    G 207          2HO*        G 207  15.835  -5.777 -15.229
  498    H1*    G 207           H1*        G 207  16.116  -8.036 -14.000
  499    H8     G 207           H8         G 207  16.826  -7.319 -10.330
  500    H1     G 207           H1         G 207  10.826  -9.389 -11.596
  501   1H2     G 207          1H2         G 207  10.559  -9.519 -13.636
  502   2H2     G 207          2H2         G 207  11.778  -9.126 -14.828
  503   1H5*    C 208          1H5*        C 208  18.263  -1.644 -14.574
  504   2H5*    C 208          2H5*        C 208  17.598  -0.437 -13.473
  505    H4*    C 208           H4*        C 208  16.235  -1.921 -15.417
  506    H3*    C 208           H3*        C 208  15.431   0.028 -13.288
  507   1H2*    C 208          1H2*        C 208  13.378  -0.937 -13.131
  508   2HO*    C 208          2HO*        C 208  13.155   0.344 -15.101
  509    H1*    C 208           H1*        C 208  13.616  -3.087 -15.066
  510   1H4     C 208          1H4         C 208  12.124  -6.111  -9.660
  511   2H4     C 208          2H4         C 208  13.686  -5.699  -8.987
  512    H5     C 208           H5         C 208  15.271  -4.332 -10.081
  513    H6     C 208           H6         C 208  15.753  -3.011 -12.110
  514   1H5*    G 209          1H5*        G 209  13.615   3.303 -12.999
  515   2H5*    G 209          2H5*        G 209  14.000   1.582 -12.995
  516    H4*    G 209           H4*        G 209  11.877   2.049 -14.864
  517    H3*    G 209           H3*        G 209  11.639   3.693 -12.442
  518   1H2*    G 209          1H2*        G 209   9.987   2.489 -11.443
  519   2HO*    G 209          2HO*        G 209   8.841   3.412 -13.368
  520    H1*    G 209           H1*        G 209   9.920   0.133 -13.078
  521    H8     G 209           H8         G 209  13.078   1.234 -11.256
  522    H1     G 209           H1         G 209   9.501  -3.153  -8.118
  523   1H2     G 209          1H2         G 209   7.742  -3.470  -9.146
  524   2H2     G 209          2H2         G 209   7.301  -2.666 -10.635
  525   1H5*    G 210          1H5*        G 210  10.675   6.037 -11.182
  526   2H5*    G 210          2H5*        G 210   9.995   4.479 -11.651
  527    H4*    G 210           H4*        G 210   8.356   5.127 -10.242
  528    H3*    G 210           H3*        G 210   7.630   6.048 -12.938
  529   1H2*    G 210          1H2*        G 210   6.862   8.056 -12.099
  530   2HO*    G 210          2HO*        G 210   4.857   7.211 -12.272
  531    H1*    G 210           H1*        G 210   6.374   7.434  -9.306
  532    H8     G 210           H8         G 210   9.529   8.273 -11.341
  533    H1     G 210           H1         G 210   7.784  12.668  -6.922
  534   1H2     G 210          1H2         G 210   6.070  12.038  -5.962
  535   2H2     G 210          2H2         G 210   5.232  10.540  -6.304
  536   1H5*    A 211          1H5*        A 211   7.789   2.954 -11.122
  537   2H5*    A 211          2H5*        A 211   7.612   1.227 -11.425
  538    H4*    A 211           H4*        A 211   6.756   1.497  -9.286
  539    H3*    A 211           H3*        A 211   4.639   1.229 -11.338
  540   1H2*    A 211          1H2*        A 211   3.535   2.884 -10.030
  541   2HO*    A 211          2HO*        A 211   2.009   1.433  -9.442
  542    H1*    A 211           H1*        A 211   4.634   1.559  -7.513
  543    H8     A 211           H8         A 211   4.786   5.078  -9.034
  544   1H6     A 211          1H6         A 211   2.056   6.939  -3.739
  545   2H6     A 211          2H6         A 211   2.727   7.490  -5.258
  546    H2     A 211           H2         A 211   2.455   2.515  -3.619
  547   1H5*    G 212          1H5*        G 212   2.465  -1.813  -7.904
  548   2H5*    G 212          2H5*        G 212   3.879  -0.780  -8.112
  549    H4*    G 212           H4*        G 212   4.231  -3.745  -8.295
  550    H3*    G 212           H3*        G 212   3.300  -2.398  -5.857
  551   1H2*    G 212          1H2*        G 212   5.137  -2.879  -4.526
  552   2HO*    G 212          2HO*        G 212   6.024  -4.869  -4.840
  553    H1*    G 212           H1*        G 212   7.119  -2.667  -6.523
  554    H8     G 212           H8         G 212   4.197  -0.472  -5.342
  555    H1     G 212           H1         G 212  10.074   2.198  -4.869
  556   1H2     G 212          1H2         G 212  11.484   0.898  -5.628
  557   2H2     G 212          2H2         G 212  11.127  -0.679  -6.293
  558   1H5*    G 213          1H5*        G 213   2.706  -6.745  -8.318
  559   2H5*    G 213          2H5*        G 213   4.005  -5.586  -8.603
  560    H4*    G 213           H4*        G 213   1.781  -5.944 -10.600
  561    H3*    G 213           H3*        G 213   3.802  -7.948  -9.990
  562   1H2*    G 213          1H2*        G 213   5.036  -7.856 -11.946
  563   2HO*    G 213          2HO*        G 213   3.877  -6.935 -13.845
  564    H1*    G 213           H1*        G 213   4.800  -5.108 -12.475
  565    H8     G 213           H8         G 213   5.542  -6.707  -9.063
  566    H1     G 213           H1         G 213  10.603  -3.985 -12.039
  567   1H2     G 213          1H2         G 213  10.013  -3.261 -13.878
  568   2H2     G 213          2H2         G 213   8.389  -3.373 -14.517
  569   1H5*    C 214          1H5*        C 214   2.264  -8.999 -13.553
  570   2H5*    C 214          2H5*        C 214   2.033 -10.704 -13.936
  571    H4*    C 214           H4*        C 214   3.700  -9.824 -15.397
  572    H3*    C 214           H3*        C 214   4.926 -11.572 -13.243
  573   1H2*    C 214          1H2*        C 214   6.894 -11.570 -14.537
  574   2HO*    C 214          2HO*        C 214   5.507 -10.184 -16.608
  575    H1*    C 214           H1*        C 214   6.877  -8.887 -15.154
  576   1H4     C 214          1H4         C 214  10.001  -8.747  -9.619
  577   2H4     C 214          2H4         C 214   8.593  -9.344  -8.770
  578    H5     C 214           H5         C 214   6.565  -9.927  -9.832
  579    H6     C 214           H6         C 214   5.379 -10.082 -11.992
  580   1H5*    U 215          1H5*        U 215   5.440 -13.163 -16.708
  581   2H5*    U 215          2H5*        U 215   5.412 -14.891 -17.056
  582    H4*    U 215           H4*        U 215   7.569 -14.003 -17.617
  583    H3*    U 215           H3*        U 215   7.487 -15.844 -15.245
  584   1H2*    U 215          1H2*        U 215   9.684 -15.433 -14.759
  585   2HO*    U 215          2HO*        U 215   9.715 -15.169 -17.614
  586    H1*    U 215           H1*        U 215   9.989 -12.952 -16.190
  587    H3     U 215           H3         U 215  11.384 -11.548 -12.153
  588    H5     U 215           H5         U 215   7.407 -12.653 -11.441
  589    H6     U 215           H6         U 215   7.325 -13.473 -13.751
  590   1H5*    A 216          1H5*        A 216   9.758 -17.258 -18.129
  591   2H5*    A 216          2H5*        A 216  10.127 -18.918 -18.593
  592    H4*    A 216           H4*        A 216  12.053 -18.028 -17.531
  593    H3*    A 216           H3*        A 216  10.551 -19.965 -15.769
  594   1H2*    A 216          1H2*        A 216  12.195 -19.749 -14.147
  595   2HO*    A 216          2HO*        A 216  14.265 -18.628 -15.220
  596    H1*    A 216           H1*        A 216  12.823 -17.009 -14.975
  597    H8     A 216           H8         A 216   9.413 -18.006 -13.662
  598   1H6     A 216          1H6         A 216  11.368 -15.854  -8.139
  599   2H6     A 216          2H6         A 216   9.983 -16.476  -9.009
  600    H2     A 216           H2         A 216  14.806 -15.785 -10.955
  601   1H5*    G 217          1H5*        G 217  14.106 -21.225 -16.531
  602   2H5*    G 217          2H5*        G 217  14.736 -22.872 -16.511
  603    H4*    G 217           H4*        G 217  15.552 -21.987 -14.540
  604    H3*    G 217           H3*        G 217  12.915 -23.269 -13.730
  605   1H2*    G 217          1H2*        G 217  13.754 -23.139 -11.541
  606   2HO*    G 217          2HO*        G 217  15.778 -24.056 -12.318
  607    H1*    G 217           H1*        G 217  15.123 -20.656 -12.089
  608    H8     G 217           H8         G 217  11.421 -21.153 -12.809
  609    H1     G 217           H1         G 217  12.742 -18.378  -7.113
  610   1H2     G 217          1H2         G 217  14.780 -18.388  -6.800
  611   2H2     G 217          2H2         G 217  15.956 -19.049  -7.914
  612   1H5*    U 218          1H5*        U 218  15.970 -25.976 -12.835
  613   2H5*    U 218          2H5*        U 218  15.610 -27.669 -12.501
  614    H4*    U 218           H4*        U 218  16.269 -26.584 -10.465
  615    H3*    U 218           H3*        U 218  13.287 -27.151 -10.524
  616   1H2*    U 218          1H2*        U 218  13.279 -26.675  -8.241
  617   2HO*    U 218          2HO*        U 218  15.494 -26.759  -7.202
  618    H1*    U 218           H1*        U 218  15.375 -24.714  -8.429
  619    H3     U 218           H3         U 218  12.104 -22.142  -6.702
  620    H5     U 218           H5         U 218  10.622 -23.164 -10.484
  621    H6     U 218           H6         U 218  12.567 -24.634 -10.739
  622   1H5*    C 219          1H5*        C 219  14.995 -29.276  -7.319
  623   2H5*    C 219          2H5*        C 219  14.422 -30.944  -7.350
  624    H4*    C 219           H4*        C 219  14.034 -30.278  -5.165
  625    H3*    C 219           H3*        C 219  11.578 -30.273  -6.811
  626   1H2*    C 219          1H2*        C 219  10.266 -29.122  -5.248
  627   2HO*    C 219          2HO*        C 219  10.828 -29.358  -3.114
  628    H1*    C 219           H1*        C 219  12.437 -27.358  -4.528
  629   1H4     C 219          1H4         C 219   8.478 -23.557  -7.761
  630   2H4     C 219          2H4         C 219   8.816 -24.437  -9.234
  631    H5     C 219           H5         C 219  10.180 -26.361  -9.336
  632    H6     C 219           H6         C 219  11.573 -27.931  -8.035
  633   1H5*    C 220          1H5*        C 220  10.161 -32.675  -3.418
  634   2H5*    C 220          2H5*        C 220   9.804 -34.281  -4.055
  635    H4*    C 220           H4*        C 220   7.825 -33.710  -3.025
  636    H3*    C 220           H3*        C 220   7.673 -33.177  -5.950
  637   1H2*    C 220          1H2*        C 220   5.567 -32.134  -5.793
  638   2HO*    C 220          2HO*        C 220   4.603 -32.271  -3.518
  639    H1*    C 220           H1*        C 220   6.301 -30.664  -3.455
  640   1H4     C 220          1H4         C 220   6.719 -26.207  -7.972
  641   2H4     C 220          2H4         C 220   7.936 -27.135  -8.819
  642    H5     C 220           H5         C 220   8.681 -29.268  -8.130
  643    H6     C 220           H6         C 220   8.438 -31.053  -6.441
   
  No H/Q in entry =         643
  Start of MODEL   11
    1    H    MET   1           HN       MET   1  -1.076 -10.988   0.037
    2    HA   MET   1           HA       MET   1  -1.076  -9.400   2.485
    3   1HB   MET   1          2HB       MET   1  -1.658 -12.357   2.006
    4   2HB   MET   1          3HB       MET   1  -1.094 -11.820   3.574
    5   1HG   MET   1          2HG       MET   1  -3.540 -10.647   2.166
    6   2HG   MET   1          3HG       MET   1  -3.628 -11.936   3.350
    7   1HE   MET   1          1HE       MET   1  -4.782 -11.259   5.096
    8   2HE   MET   1          2HE       MET   1  -3.345 -11.409   6.136
    9   3HE   MET   1          3HE       MET   1  -4.403  -9.984   6.277
   10    H    GLN   2           HN       GLN   2   0.460 -12.195   0.745
   11    HA   GLN   2           HA       GLN   2   2.738 -12.212   2.329
   12   1HB   GLN   2          2HB       GLN   2   1.696 -13.720   0.200
   13   2HB   GLN   2          3HB       GLN   2   3.194 -13.079  -0.444
   14   1HG   GLN   2          2HG       GLN   2   4.324 -13.874   1.735
   15   2HG   GLN   2          3HG       GLN   2   2.836 -14.724   2.098
   16   1HE2  GLN   2          2HE2      GLN   2   3.115 -17.151  -0.493
   17   2HE2  GLN   2          1HE2      GLN   2   1.999 -16.207   0.436
   18    H    LYS   3           HN       LYS   3   2.377 -11.034  -1.102
   19    HA   LYS   3           HA       LYS   3   3.363  -9.391  -2.200
   20   1HB   LYS   3          2HB       LYS   3   3.738  -8.326   0.602
   21   2HB   LYS   3          3HB       LYS   3   4.342  -7.461  -0.798
   22   1HG   LYS   3          2HG       LYS   3   1.482  -8.435  -0.843
   23   2HG   LYS   3          3HG       LYS   3   1.867  -7.034   0.138
   24   1HD   LYS   3          2HD       LYS   3   2.032  -5.694  -1.691
   25   2HD   LYS   3          3HD       LYS   3   3.140  -6.797  -2.481
   26   1HE   LYS   3          2HE       LYS   3   0.944  -8.249  -2.899
   27   2HE   LYS   3          3HE       LYS   3   0.116  -6.730  -2.622
   28   1HZ   LYS   3          1HZ       LYS   3   2.336  -6.419  -4.407
   29   2HZ   LYS   3          2HZ       LYS   3   1.262  -7.500  -4.983
   30    H    GLY   4           HN       GLY   4   4.725 -11.673  -2.276
   31   1HA   GLY   4          1HA       GLY   4   7.288 -11.751  -1.186
   32   2HA   GLY   4          2HA       GLY   4   6.753 -12.566  -2.642
   33    H    ASN   5           HN       ASN   5   5.938  -9.885  -3.894
   34    HA   ASN   5           HA       ASN   5   8.231  -9.484  -5.335
   35   1HB   ASN   5          2HB       ASN   5   5.626  -8.633  -5.523
   36   2HB   ASN   5          3HB       ASN   5   6.379  -7.140  -5.002
   37   1HD2  ASN   5          2HD2      ASN   5   7.759  -6.331  -8.065
   38   2HD2  ASN   5          1HD2      ASN   5   7.335  -5.901  -6.442
   39    H    PHE   6           HN       PHE   6   7.331  -8.446  -2.139
   40    HA   PHE   6           HA       PHE   6   8.581  -5.971  -1.973
   41   1HB   PHE   6          2HB       PHE   6   7.094  -6.790  -0.220
   42   2HB   PHE   6          3HB       PHE   6   7.976  -8.298  -0.078
   43    HD1  PHE   6           HD2      PHE   6  10.312  -8.235   0.923
   44    HD2  PHE   6           HD1      PHE   6   7.635  -4.950   1.140
   45    HE1  PHE   6           HE2      PHE   6  11.637  -7.280   2.828
   46    HE2  PHE   6           HE1      PHE   6   8.960  -3.995   3.045
   47    HZ   PHE   6           HZ       PHE   6  10.947  -5.171   3.866
   48    H    ARG   7           HN       ARG   7   9.926  -9.130  -2.433
   49    HA   ARG   7           HA       ARG   7  12.250  -8.893  -0.979
   50   1HB   ARG   7          2HB       ARG   7  11.615 -10.367  -3.577
   51   2HB   ARG   7          3HB       ARG   7  13.153 -10.546  -2.757
   52   1HG   ARG   7          2HG       ARG   7  12.090 -11.452  -0.767
   53   2HG   ARG   7          3HG       ARG   7  10.494 -11.017  -1.343
   54   1HD   ARG   7          2HD       ARG   7  11.709 -12.642  -3.384
   55   2HD   ARG   7          3HD       ARG   7  11.989 -13.446  -1.852
   56    HE   ARG   7           HE       ARG   7   9.356 -12.828  -1.603
   57   1HH1  ARG   7          2HH2      ARG   7  11.124 -14.239  -4.331
   58   2HH1  ARG   7          1HH2      ARG   7   9.757 -15.125  -4.920
   59    HH2  ARG   7           HH1      ARG   7   7.666 -14.967  -3.757
   60    H    ASN   8           HN       ASN   8  11.133  -7.065  -3.655
   61    HA   ASN   8           HA       ASN   8  13.365  -6.706  -5.175
   62   1HB   ASN   8          2HB       ASN   8  12.352  -4.393  -5.650
   63   2HB   ASN   8          3HB       ASN   8  11.256  -5.741  -5.883
   64   1HD2  ASN   8          2HD2      ASN   8   9.910  -2.816  -3.756
   65   2HD2  ASN   8          1HD2      ASN   8  10.929  -2.839  -5.156
   66    H    GLN   9           HN       GLN   9  12.663  -5.750  -1.880
   67    HA   GLN   9           HA       GLN   9  14.146  -3.444  -1.668
   68   1HB   GLN   9          2HB       GLN   9  13.538  -5.637   0.355
   69   2HB   GLN   9          3HB       GLN   9  14.329  -4.137   0.795
   70   1HG   GLN   9          2HG       GLN   9  12.108  -3.303  -0.729
   71   2HG   GLN   9          3HG       GLN   9  11.488  -4.645   0.213
   72   1HE2  GLN   9          2HE2      GLN   9  10.840  -1.891   2.417
   73   2HE2  GLN   9          1HE2      GLN   9  10.233  -2.717   1.022
   74    H    ARG  10           HN       ARG  10  15.170  -6.647  -2.382
   75    HA   ARG  10           HA       ARG  10  17.560  -6.775  -1.041
   76   1HB   ARG  10          2HB       ARG  10  18.167  -8.501  -2.652
   77   2HB   ARG  10          3HB       ARG  10  16.444  -8.634  -2.362
   78   1HG   ARG  10          2HG       ARG  10  15.939  -7.424  -4.440
   79   2HG   ARG  10          3HG       ARG  10  17.636  -7.070  -4.698
   80   1HD   ARG  10          2HD       ARG  10  17.751  -9.807  -4.477
   81   2HD   ARG  10          3HD       ARG  10  16.142  -9.624  -5.146
   82    HE   ARG  10           HE       ARG  10  18.649  -9.137  -6.530
   83   1HH1  ARG  10          2HH2      ARG  10  15.258  -8.118  -6.395
   84   2HH1  ARG  10          1HH2      ARG  10  15.226  -7.579  -8.041
   85    HH2  ARG  10           HH1      ARG  10  17.205  -7.770  -9.378
   86    H    LYS  11           HN       LYS  11  16.530  -4.614  -3.519
   87    HA   LYS  11           HA       LYS  11  19.327  -3.968  -4.145
   88   1HB   LYS  11          2HB       LYS  11  18.854  -3.849  -6.329
   89   2HB   LYS  11          3HB       LYS  11  17.427  -4.788  -5.940
   90   1HG   LYS  11          2HG       LYS  11  16.388  -2.385  -5.377
   91   2HG   LYS  11          3HG       LYS  11  17.666  -1.816  -6.432
   92   1HD   LYS  11          2HD       LYS  11  16.199  -4.153  -7.523
   93   2HD   LYS  11          3HD       LYS  11  15.177  -2.753  -7.268
   94   1HE   LYS  11          2HE       LYS  11  17.846  -2.299  -8.593
   95   2HE   LYS  11          3HE       LYS  11  16.600  -3.090  -9.537
   96   1HZ   LYS  11          1HZ       LYS  11  16.806  -0.383  -9.084
   97   2HZ   LYS  11          2HZ       LYS  11  15.528  -1.138  -9.754
   98    H    THR  12           HN       THR  12  17.545  -3.157  -1.836
   99    HA   THR  12           HA       THR  12  16.899  -1.316  -0.752
  100    HB   THR  12           HB       THR  12  19.488  -1.105  -1.193
  101    HG1  THR  12           HG1      THR  12  17.856   1.291  -0.762
  102   1HG2  THR  12          2HG2      THR  12  18.428   0.397  -3.435
  103   2HG2  THR  12          3HG2      THR  12  19.191   1.537  -2.300
  104   3HG2  THR  12          1HG2      THR  12  20.132   0.180  -2.967
  105    H    VAL  13           HN       VAL  13  15.157  -1.861  -2.792
  106    HA   VAL  13           HA       VAL  13  14.663  -0.148  -4.763
  107    HB   VAL  13           HB       VAL  13  12.251  -0.454  -4.257
  108   1HG1  VAL  13          1HG1      VAL  13  14.266  -2.554  -4.597
  109   2HG1  VAL  13          2HG1      VAL  13  12.739  -3.159  -3.910
  110   3HG1  VAL  13          3HG1      VAL  13  12.733  -2.285  -5.460
  111   1HG2  VAL  13          1HG2      VAL  13  13.345  -1.635  -1.692
  112   2HG2  VAL  13          2HG2      VAL  13  12.143  -0.336  -1.888
  113   3HG2  VAL  13          3HG2      VAL  13  11.722  -2.011  -2.316
  114    H    LYS  14           HN       LYS  14  13.435   1.865  -5.023
  115    HA   LYS  14           HA       LYS  14  13.892   3.628  -2.726
  116   1HB   LYS  14          2HB       LYS  14  14.215   5.403  -4.239
  117   2HB   LYS  14          3HB       LYS  14  15.111   4.053  -4.906
  118   1HG   LYS  14          2HG       LYS  14  13.901   4.156  -6.819
  119   2HG   LYS  14          3HG       LYS  14  12.419   3.889  -5.924
  120   1HD   LYS  14          2HD       LYS  14  11.896   5.986  -6.715
  121   2HD   LYS  14          3HD       LYS  14  12.797   6.507  -5.305
  122   1HE   LYS  14          2HE       LYS  14  13.822   7.756  -7.015
  123   2HE   LYS  14          3HE       LYS  14  14.904   6.385  -6.879
  124   1HZ   LYS  14          1HZ       LYS  14  14.224   6.882  -9.203
  125   2HZ   LYS  14          2HZ       LYS  14  13.827   5.362  -8.772
  126    H    CYS  15           HN       CYS  15  12.225   4.941  -1.930
  127    HA   CYS  15           HA       CYS  15   9.619   3.904  -2.416
  128   1HB   CYS  15          2HB       CYS  15  10.346   4.585  -0.163
  129   2HB   CYS  15          3HB       CYS  15  10.521   6.244  -0.701
  130    H    PHE  16           HN       PHE  16   8.489   4.498  -4.238
  131    HA   PHE  16           HA       PHE  16   9.181   6.833  -5.691
  132   1HB   PHE  16          2HB       PHE  16   7.067   4.635  -5.724
  133   2HB   PHE  16          3HB       PHE  16   6.839   6.019  -6.775
  134    HD1  PHE  16           HD1      PHE  16   9.521   6.593  -7.744
  135    HD2  PHE  16           HD2      PHE  16   7.652   2.845  -7.063
  136    HE1  PHE  16           HE1      PHE  16  11.018   5.536  -9.460
  137    HE2  PHE  16           HE2      PHE  16   9.149   1.787  -8.778
  138    HZ   PHE  16           HZ       PHE  16  10.813   3.145  -9.956
  139    H    ASN  17           HN       ASN  17   7.621   6.573  -2.781
  140    HA   ASN  17           HA       ASN  17   5.513   8.426  -3.426
  141   1HB   ASN  17          2HB       ASN  17   5.460   6.397  -1.700
  142   2HB   ASN  17          3HB       ASN  17   6.247   7.526  -0.614
  143   1HD2  ASN  17          2HD2      ASN  17   2.985   8.329   0.404
  144   2HD2  ASN  17          1HD2      ASN  17   4.441   7.452   0.742
  145    H    CYS  18           HN       CYS  18   8.063   8.159  -0.822
  146    HA   CYS  18           HA       CYS  18   8.111  11.017  -0.566
  147   1HB   CYS  18          2HB       CYS  18   9.740  10.584   1.248
  148   2HB   CYS  18          3HB       CYS  18   8.237   9.705   1.459
  149    H    GLY  19           HN       GLY  19  10.223   8.311  -1.702
  150   1HA   GLY  19          1HA       GLY  19  11.565   8.634  -3.646
  151   2HA   GLY  19          2HA       GLY  19  11.830  10.301  -3.174
  152    H    LYS  20           HN       LYS  20  11.872   7.617  -0.814
  153    HA   LYS  20           HA       LYS  20  14.700   8.212  -0.366
  154   1HB   LYS  20          2HB       LYS  20  12.436   7.277   1.348
  155   2HB   LYS  20          3HB       LYS  20  14.050   6.735   1.761
  156   1HG   LYS  20          2HG       LYS  20  14.853   9.090   1.807
  157   2HG   LYS  20          3HG       LYS  20  13.265   9.657   1.329
  158   1HD   LYS  20          2HD       LYS  20  12.419   8.346   3.459
  159   2HD   LYS  20          3HD       LYS  20  14.100   8.386   3.955
  160   1HE   LYS  20          2HE       LYS  20  13.957  10.576   4.556
  161   2HE   LYS  20          3HE       LYS  20  13.272  11.026   3.008
  162   1HZ   LYS  20          1HZ       LYS  20  11.238   9.703   4.298
  163   2HZ   LYS  20          2HZ       LYS  20  11.915  10.590   5.483
  164    H    GLU  21           HN       GLU  21  15.591   5.898   0.837
  165    HA   GLU  21           HA       GLU  21  15.029   3.829  -1.125
  166   1HB   GLU  21          2HB       GLU  21  17.555   5.295  -0.764
  167   2HB   GLU  21          3HB       GLU  21  17.774   3.565  -0.593
  168   1HG   GLU  21          2HG       GLU  21  17.142   3.115  -2.794
  169   2HG   GLU  21          3HG       GLU  21  16.070   4.498  -2.889
  170    HE2  GLU  21           HE2      GLU  21  16.972   5.269  -4.661
  171    H    GLY  22           HN       GLY  22  14.740   1.825  -0.199
  172   1HA   GLY  22          1HA       GLY  22  15.695   0.251   1.448
  173   2HA   GLY  22          2HA       GLY  22  15.579   1.544   2.626
  174    H    HIS  23           HN       HIS  23  12.982   1.829   0.436
  175    HA   HIS  23           HA       HIS  23  11.277  -0.153   1.491
  176   1HB   HIS  23          2HB       HIS  23   9.927   1.024   2.974
  177   2HB   HIS  23          3HB       HIS  23  11.553   1.485   3.438
  178    HD1  HIS  23           HD1      HIS  23  12.317   3.950   2.903
  179    HD2  HIS  23           HD2      HIS  23   8.319   3.101   1.958
  180    HE1  HIS  23           HE1      HIS  23  11.181   6.201   2.515
  181    H    ILE  24           HN       ILE  24   9.035   0.082   0.587
  182    HA   ILE  24           HA       ILE  24   9.151   1.709  -1.854
  183    HB   ILE  24           HB       ILE  24   7.899   0.070  -2.966
  184   1HG1  ILE  24          2HG1      ILE  24   7.511  -1.442  -0.370
  185   2HG1  ILE  24          3HG1      ILE  24   6.322  -0.346  -1.043
  186   1HG2  ILE  24          1HG2      ILE  24  10.275  -0.773  -1.451
  187   2HG2  ILE  24          2HG2      ILE  24   9.277  -2.115  -2.064
  188   3HG2  ILE  24          3HG2      ILE  24   9.910  -0.890  -3.190
  189   1HD1  ILE  24          2HD1      ILE  24   7.479  -2.605  -2.714
  190   2HD1  ILE  24          3HD1      ILE  24   6.096  -2.867  -1.624
  191   3HD1  ILE  24          1HD1      ILE  24   5.963  -1.706  -2.966
  192    H    ALA  25           HN       ALA  25   7.025   2.566  -2.621
  193    HA   ALA  25           HA       ALA  25   5.818   4.122  -0.731
  194   1HB   ALA  25          3HB       ALA  25   5.117   3.142  -3.479
  195   2HB   ALA  25          1HB       ALA  25   3.863   3.993  -2.545
  196   3HB   ALA  25          2HB       ALA  25   5.410   4.800  -2.901
  197    H    LYS  26           HN       LYS  26   5.029   0.776  -1.763
  198    HA   LYS  26           HA       LYS  26   2.564   0.587  -0.489
  199   1HB   LYS  26          2HB       LYS  26   4.592  -1.614  -0.975
  200   2HB   LYS  26          3HB       LYS  26   2.874  -1.821  -0.695
  201   1HG   LYS  26          2HG       LYS  26   3.639   0.044  -2.919
  202   2HG   LYS  26          3HG       LYS  26   3.972  -1.657  -3.187
  203   1HD   LYS  26          2HD       LYS  26   1.291  -1.195  -2.026
  204   2HD   LYS  26          3HD       LYS  26   1.504  -0.388  -3.567
  205   1HE   LYS  26          2HE       LYS  26   2.393  -2.612  -4.494
  206   2HE   LYS  26          3HE       LYS  26   1.897  -3.360  -2.989
  207   1HZ   LYS  26          1HZ       LYS  26  -0.387  -2.426  -3.473
  208   2HZ   LYS  26          2HZ       LYS  26   0.133  -2.027  -4.963
  209    H    ASN  27           HN       ASN  27   5.928   0.041   0.692
  210    HA   ASN  27           HA       ASN  27   4.872  -0.592   3.290
  211   1HB   ASN  27          2HB       ASN  27   7.665  -0.505   2.069
  212   2HB   ASN  27          3HB       ASN  27   7.457  -0.672   3.801
  213   1HD2  ASN  27          2HD2      ASN  27   6.032  -3.645   1.270
  214   2HD2  ASN  27          1HD2      ASN  27   6.044  -1.979   0.798
  215    H    CYS  28           HN       CYS  28   5.162   2.190   1.596
  216    HA   CYS  28           HA       CYS  28   6.706   3.764   3.413
  217   1HB   CYS  28          2HB       CYS  28   6.605   4.278   0.994
  218   2HB   CYS  28          3HB       CYS  28   4.892   4.623   1.135
  219    H    ARG  29           HN       ARG  29   5.887   5.160   5.037
  220    HA   ARG  29           HA       ARG  29   3.298   4.449   5.959
  221   1HB   ARG  29          2HB       ARG  29   5.707   5.715   7.031
  222   2HB   ARG  29          3HB       ARG  29   4.297   6.655   7.474
  223   1HG   ARG  29          2HG       ARG  29   3.559   3.924   7.852
  224   2HG   ARG  29          3HG       ARG  29   5.176   4.075   8.510
  225   1HD   ARG  29          2HD       ARG  29   4.524   5.712  10.101
  226   2HD   ARG  29          3HD       ARG  29   3.100   6.176   9.193
  227    HE   ARG  29           HE       ARG  29   1.917   4.332  10.092
  228   1HH1  ARG  29          2HH2      ARG  29   5.341   4.148  10.985
  229   2HH1  ARG  29          1HH2      ARG  29   5.096   2.903  12.162
  230    HH2  ARG  29           HH1      ARG  29   2.883   2.059  12.535
  231    H    ALA  30           HN       ALA  30   4.860   7.139   4.236
  232    HA   ALA  30           HA       ALA  30   2.962   9.125   4.725
  233   1HB   ALA  30          3HB       ALA  30   5.213   8.599   2.895
  234   2HB   ALA  30          1HB       ALA  30   3.949   9.634   2.192
  235   3HB   ALA  30          2HB       ALA  30   4.736  10.103   3.717
  236    HA   PRO  31           HA       PRO  31  -0.374   7.887   2.266
  237   1HB   PRO  31          2HB       PRO  31  -1.553  10.279   1.674
  238   2HB   PRO  31          3HB       PRO  31  -1.759   9.464   3.211
  239   1HG   PRO  31          2HG       PRO  31  -0.115  11.838   2.577
  240   2HG   PRO  31          3HG       PRO  31  -0.668  11.271   4.141
  241   1HD   PRO  31          2HD       PRO  31   1.972  11.000   3.052
  242   2HD   PRO  31          3HD       PRO  31   1.388  10.334   4.564
  243    H    ARG  32           HN       ARG  32  -1.376   7.759   0.151
  244    HA   ARG  32           HA       ARG  32   0.542   7.656  -1.777
  245   1HB   ARG  32          2HB       ARG  32  -2.303   7.228  -1.570
  246   2HB   ARG  32          3HB       ARG  32  -2.027   8.173  -3.020
  247   1HG   ARG  32          2HG       ARG  32  -1.677   6.077  -3.929
  248   2HG   ARG  32          3HG       ARG  32  -0.043   6.378  -3.374
  249   1HD   ARG  32          2HD       ARG  32  -1.472   5.312  -1.128
  250   2HD   ARG  32          3HD       ARG  32  -1.904   4.319  -2.505
  251    HE   ARG  32           HE       ARG  32   0.785   4.450  -2.834
  252   1HH1  ARG  32          2HH2      ARG  32  -1.123   3.842   0.089
  253   2HH1  ARG  32          1HH2      ARG  32   0.099   2.865   0.834
  254    HH2  ARG  32           HH1      ARG  32   2.160   2.479  -0.326
  255    H    LYS  33           HN       LYS  33   1.756   9.413  -2.455
  256    HA   LYS  33           HA       LYS  33   0.241  11.782  -3.286
  257   1HB   LYS  33          2HB       LYS  33   1.761  11.772  -1.031
  258   2HB   LYS  33          3HB       LYS  33   2.968  12.233  -2.214
  259   1HG   LYS  33          2HG       LYS  33   2.137  14.345  -1.889
  260   2HG   LYS  33          3HG       LYS  33   0.900  13.837  -3.022
  261   1HD   LYS  33          2HD       LYS  33   0.088  12.861  -0.455
  262   2HD   LYS  33          3HD       LYS  33   0.623  14.511  -0.207
  263   1HE   LYS  33          2HE       LYS  33  -1.353  13.679  -2.384
  264   2HE   LYS  33          3HE       LYS  33  -1.835  14.289  -0.813
  265   1HZ   LYS  33          1HZ       LYS  33  -1.238  16.393  -1.389
  266   2HZ   LYS  33          2HZ       LYS  33   0.093  15.946  -2.213
  267    H    LYS  34           HN       LYS  34   1.950  13.238  -4.652
  268    HA   LYS  34           HA       LYS  34   3.647  11.516  -6.251
  269   1HB   LYS  34          2HB       LYS  34   2.594  12.111  -8.353
  270   2HB   LYS  34          3HB       LYS  34   1.447  11.289  -7.315
  271   1HG   LYS  34          2HG       LYS  34   1.438  14.223  -6.925
  272   2HG   LYS  34          3HG       LYS  34   1.042  13.758  -8.568
  273   1HD   LYS  34          2HD       LYS  34  -1.039  13.143  -7.919
  274   2HD   LYS  34          3HD       LYS  34  -0.366  11.964  -6.810
  275   1HE   LYS  34          2HE       LYS  34   0.022  13.977  -5.192
  276   2HE   LYS  34          3HE       LYS  34  -1.044  14.879  -6.250
  277   1HZ   LYS  34          1HZ       LYS  34  -1.714  12.790  -4.383
  278   2HZ   LYS  34          2HZ       LYS  34  -2.668  13.957  -4.998
  279    H    GLY  35           HN       GLY  35   4.656  13.238  -4.473
  280   1HA   GLY  35          1HA       GLY  35   5.060  15.813  -5.822
  281   2HA   GLY  35          2HA       GLY  35   5.457  15.413  -4.163
  282    H    CYS  36           HN       CYS  36   6.844  16.140  -7.065
  283    HA   CYS  36           HA       CYS  36   8.737  14.191  -7.506
  284   1HB   CYS  36          2HB       CYS  36   8.404  15.912  -9.134
  285   2HB   CYS  36          3HB       CYS  36   8.796  17.180  -7.989
  286    H    TRP  37           HN       TRP  37  10.344  13.434  -6.173
  287    HA   TRP  37           HA       TRP  37  10.995  14.939  -3.801
  288   1HB   TRP  37          2HB       TRP  37  12.595  12.578  -4.205
  289   2HB   TRP  37          3HB       TRP  37  11.456  12.963  -2.930
  290    HD1  TRP  37           HD1      TRP  37   8.786  12.261  -3.481
  291    HE1  TRP  37           HE1      TRP  37   7.733  10.275  -4.863
  292    HE3  TRP  37           HE3      TRP  37  12.986  11.191  -6.141
  293    HZ2  TRP  37           HZ2      TRP  37   8.752   8.518  -6.868
  294    HZ3  TRP  37           HZ3      TRP  37  12.872   9.325  -7.790
  295    HH2  TRP  37           HH2      TRP  37  10.849   8.008  -8.173
  296    H    LYS  38           HN       LYS  38  11.639  16.237  -6.315
  297    HA   LYS  38           HA       LYS  38  14.556  16.261  -6.044
  298   1HB   LYS  38          2HB       LYS  38  13.272  15.181  -8.233
  299   2HB   LYS  38          3HB       LYS  38  13.558  16.830  -8.752
  300   1HG   LYS  38          2HG       LYS  38  15.699  14.997  -7.573
  301   2HG   LYS  38          3HG       LYS  38  15.465  15.270  -9.289
  302   1HD   LYS  38          2HD       LYS  38  16.672  17.187  -9.199
  303   2HD   LYS  38          3HD       LYS  38  15.608  17.844  -7.972
  304   1HE   LYS  38          2HE       LYS  38  17.407  15.774  -6.881
  305   2HE   LYS  38          3HE       LYS  38  18.294  17.097  -7.610
  306   1HZ   LYS  38          1HZ       LYS  38  16.081  17.947  -5.951
  307   2HZ   LYS  38          2HZ       LYS  38  17.253  17.173  -5.127
  308    H    CYS  39           HN       CYS  39  11.587  17.950  -7.244
  309    HA   CYS  39           HA       CYS  39  12.954  20.460  -6.614
  310   1HB   CYS  39          2HB       CYS  39  11.212  21.510  -8.098
  311   2HB   CYS  39          3HB       CYS  39  12.345  20.454  -8.917
  312    H    GLY  40           HN       GLY  40  10.145  18.332  -6.075
  313   1HA   GLY  40          1HA       GLY  40   8.979  18.287  -4.055
  314   2HA   GLY  40          2HA       GLY  40   9.412  19.957  -3.747
  315    H    LYS  41           HN       LYS  41   8.355  19.089  -7.003
  316    HA   LYS  41           HA       LYS  41   5.940  20.655  -6.541
  317   1HB   LYS  41          2HB       LYS  41   7.860  20.669  -8.563
  318   2HB   LYS  41          3HB       LYS  41   6.491  19.857  -9.295
  319   1HG   LYS  41          2HG       LYS  41   5.138  21.732  -9.193
  320   2HG   LYS  41          3HG       LYS  41   5.820  22.280  -7.676
  321   1HD   LYS  41          2HD       LYS  41   7.845  23.096  -8.820
  322   2HD   LYS  41          3HD       LYS  41   7.303  22.418 -10.342
  323   1HE   LYS  41          2HE       LYS  41   5.211  23.922 -10.116
  324   2HE   LYS  41          3HE       LYS  41   6.038  24.720  -8.793
  325   1HZ   LYS  41          1HZ       LYS  41   6.595  25.939 -10.724
  326   2HZ   LYS  41          2HZ       LYS  41   7.931  25.050 -10.449
  327    H    GLU  42           HN       GLU  42   3.947  19.744  -6.439
  328    HA   GLU  42           HA       GLU  42   3.852  16.889  -6.732
  329   1HB   GLU  42          2HB       GLU  42   1.618  17.087  -5.705
  330   2HB   GLU  42          3HB       GLU  42   2.812  17.955  -4.760
  331   1HG   GLU  42          2HG       GLU  42   1.543  19.823  -4.941
  332   2HG   GLU  42          3HG       GLU  42   1.866  19.842  -6.663
  333    HE2  GLU  42           HE2      GLU  42  -0.903  20.567  -6.000
  334    H    GLY  43           HN       GLY  43   3.219  15.888  -8.592
  335   1HA   GLY  43          1HA       GLY  43   1.130  16.014 -10.107
  336   2HA   GLY  43          2HA       GLY  43   1.860  17.519 -10.628
  337    H    HIS  44           HN       HIS  44   4.594  16.959 -10.682
  338    HA   HIS  44           HA       HIS  44   4.656  14.959 -12.806
  339   1HB   HIS  44          2HB       HIS  44   6.495  16.112 -13.718
  340   2HB   HIS  44          3HB       HIS  44   5.335  17.343 -13.261
  341    HD1  HIS  44           HD1      HIS  44   6.082  19.113 -11.585
  342    HD2  HIS  44           HD2      HIS  44   8.801  15.940 -11.948
  343    HE1  HIS  44           HE1      HIS  44   8.174  19.814 -10.305
  344    H    GLN  45           HN       GLN  45   7.182  14.086 -12.930
  345    HA   GLN  45           HA       GLN  45   7.804  13.214 -10.220
  346   1HB   GLN  45          2HB       GLN  45   8.153  10.940 -10.966
  347   2HB   GLN  45          3HB       GLN  45   6.562  11.435 -11.507
  348   1HG   GLN  45          2HG       GLN  45   8.009  12.216 -13.679
  349   2HG   GLN  45          3HG       GLN  45   9.042  10.917 -13.116
  350   1HE2  GLN  45          2HE2      GLN  45   7.138   8.473 -14.628
  351   2HE2  GLN  45          1HE2      GLN  45   8.672   9.121 -14.151
  352    H    MET  46           HN       MET  46  10.105  12.441  -9.976
  353    HA   MET  46           HA       MET  46  11.865  14.282 -10.890
  354   1HB   MET  46          2HB       MET  46  12.124  12.525  -9.017
  355   2HB   MET  46          3HB       MET  46  12.515  11.352 -10.258
  356   1HG   MET  46          2HG       MET  46  14.337  13.114 -11.012
  357   2HG   MET  46          3HG       MET  46  14.100  13.802  -9.418
  358   1HE   MET  46          1HE       MET  46  16.539  12.469 -10.952
  359   2HE   MET  46          2HE       MET  46  17.174  10.992 -10.187
  360   3HE   MET  46          3HE       MET  46  15.879  10.878 -11.404
  361    H    LYS  47           HN       LYS  47  11.143  11.017 -12.277
  362    HA   LYS  47           HA       LYS  47  13.100  11.023 -14.232
  363   1HB   LYS  47          2HB       LYS  47  10.765   9.479 -13.523
  364   2HB   LYS  47          3HB       LYS  47  10.830   9.685 -15.262
  365   1HG   LYS  47          2HG       LYS  47  12.103   7.679 -14.602
  366   2HG   LYS  47          3HG       LYS  47  13.183   8.874 -15.291
  367   1HD   LYS  47          2HD       LYS  47  14.274   8.048 -13.310
  368   2HD   LYS  47          3HD       LYS  47  13.705   9.658 -12.917
  369   1HE   LYS  47          2HE       LYS  47  11.511   8.253 -12.144
  370   2HE   LYS  47          3HE       LYS  47  12.714   6.997 -11.930
  371   1HZ   LYS  47          1HZ       LYS  47  13.524   9.555 -10.864
  372   2HZ   LYS  47          2HZ       LYS  47  12.209   8.942 -10.124
  373    H    ASP  48           HN       ASP  48   9.913  12.627 -14.075
  374    HA   ASP  48           HA       ASP  48  10.474  13.688 -16.730
  375   1HB   ASP  48          2HB       ASP  48   8.156  12.474 -15.715
  376   2HB   ASP  48          3HB       ASP  48   7.781  14.182 -15.615
  377    HD1  ASP  48           HD2      ASP  48   8.319  15.317 -17.579
  378    H    CYS  49           HN       CYS  49  11.668  14.630 -14.177
  379    HA   CYS  49           HA       CYS  49  10.351  16.686 -12.964
  380   1HB   CYS  49          2HB       CYS  49  12.546  15.713 -12.265
  381   2HB   CYS  49          3HB       CYS  49  13.324  16.592 -13.566
  382    H    THR  50           HN       THR  50   9.342  18.411 -13.940
  383    HA   THR  50           HA       THR  50  10.212  19.302 -16.537
  384    HB   THR  50           HB       THR  50   7.800  19.090 -15.869
  385    HG1  THR  50           HG1      THR  50   8.705  21.865 -16.124
  386   1HG2  THR  50          3HG2      THR  50   8.673  21.190 -13.844
  387   2HG2  THR  50          1HG2      THR  50   7.008  21.175 -14.471
  388   3HG2  THR  50          2HG2      THR  50   7.638  19.767 -13.583
  389    H    GLU  51           HN       GLU  51  11.564  19.723 -13.578
  390    HA   GLU  51           HA       GLU  51  11.999  22.560 -13.925
  391   1HB   GLU  51          2HB       GLU  51  11.460  21.657 -11.659
  392   2HB   GLU  51          3HB       GLU  51  12.910  20.673 -11.706
  393   1HG   GLU  51          2HG       GLU  51  13.558  22.611 -10.483
  394   2HG   GLU  51          3HG       GLU  51  14.225  22.870 -12.083
  395    HE1  GLU  51           HE2      GLU  51  11.739  25.134 -10.269
  396    H    ARG  52           HN       ARG  52  13.996  19.567 -13.342
  397    HA   ARG  52           HA       ARG  52  16.421  20.537 -13.734
  398   1HB   ARG  52          2HB       ARG  52  15.406  18.030 -13.544
  399   2HB   ARG  52          3HB       ARG  52  15.787  18.009 -15.255
  400   1HG   ARG  52          2HG       ARG  52  17.953  19.129 -13.550
  401   2HG   ARG  52          3HG       ARG  52  17.586  17.448 -13.219
  402   1HD   ARG  52          2HD       ARG  52  19.067  17.098 -14.958
  403   2HD   ARG  52          3HD       ARG  52  17.623  17.311 -15.929
  404    HE   ARG  52           HE       ARG  52  18.474  19.893 -15.689
  405   1HH1  ARG  52          2HH2      ARG  52  20.235  16.938 -16.542
  406   2HH1  ARG  52          1HH2      ARG  52  21.389  17.764 -17.534
  407    HH2  ARG  52           HH1      ARG  52  21.231  20.142 -17.788
  408    H    GLN  53           HN       GLN  53  16.985  22.089 -15.259
  409    HA   GLN  53           HA       GLN  53  17.328  21.347 -17.888
  410   1HB   GLN  53          2HB       GLN  53  14.823  21.534 -17.976
  411   2HB   GLN  53          3HB       GLN  53  14.949  23.219 -17.511
  412   1HG   GLN  53          2HG       GLN  53  15.142  23.715 -19.718
  413   2HG   GLN  53          3HG       GLN  53  16.743  23.006 -19.664
  414   1HE2  GLN  53          2HE2      GLN  53  15.997  20.406 -21.801
  415   2HE2  GLN  53          1HE2      GLN  53  17.137  21.479 -21.059
  416    H    ALA  54           HN       ALA  54  19.182  22.468 -18.285
  417    HA   ALA  54           HA       ALA  54  20.001  24.646 -16.777
  418   1HB   ALA  54          1HB       ALA  54  20.881  23.135 -19.153
  419   2HB   ALA  54          2HB       ALA  54  21.408  24.835 -19.151
  420   3HB   ALA  54          3HB       ALA  54  21.829  23.773 -17.787
  421    H    ASN  55           HN       ASN  55  19.816  26.867 -16.991
  422    HA   ASN  55           HA       ASN  55  17.654  27.966 -18.048
  423   1HB   ASN  55          2HB       ASN  55  19.056  30.130 -18.230
  424   2HB   ASN  55          3HB       ASN  55  19.097  29.324 -16.675
  425   1HD2  ASN  55          2HD2      ASN  55  22.501  28.693 -16.638
  426   2HD2  ASN  55          1HD2      ASN  55  20.960  28.653 -15.849
  427   1H5*    G 201          1H5*        G 201   1.361 -22.930  -4.562
  428   2H5*    G 201          2H5*        G 201   1.821 -21.236  -4.403
  429    H4*    G 201           H4*        G 201   1.603 -22.181  -2.218
  430    H3*    G 201           H3*        G 201   4.301 -21.349  -3.102
  431   1H2*    G 201          1H2*        G 201   5.413 -22.294  -1.245
  432   2HO*    G 201          2HO*        G 201   3.687 -21.624   0.169
  433    H1*    G 201           H1*        G 201   4.108 -24.754  -1.391
  434    H8     G 201           H8         G 201   5.437 -22.536  -4.239
  435    H1     G 201           H1         G 201   8.652 -28.065  -3.246
  436   1H2     G 201          1H2         G 201   7.784 -29.095  -1.683
  437   2H2     G 201          2H2         G 201   6.394 -28.543  -0.778
  438   1H5*    G 202          1H5*        G 202   3.745 -19.619   0.478
  439   2H5*    G 202          2H5*        G 202   4.347 -18.014   0.890
  440    H4*    G 202           H4*        G 202   5.713 -19.638   1.983
  441    H3*    G 202           H3*        G 202   7.071 -18.255  -0.327
  442   1H2*    G 202          1H2*        G 202   9.076 -19.355   0.214
  443   2HO*    G 202          2HO*        G 202   7.666 -20.163   2.592
  444    H1*    G 202           H1*        G 202   7.875 -21.837   0.767
  445    H8     G 202           H8         G 202   6.857 -19.636  -2.196
  446    H1     G 202           H1         G 202  10.895 -24.493  -3.604
  447   1H2     G 202          1H2         G 202  11.434 -25.467  -1.868
  448   2H2     G 202          2H2         G 202  10.875 -25.031  -0.268
  449   1H5*    A 203          1H5*        A 203  10.026 -18.512   3.047
  450   2H5*    A 203          2H5*        A 203  10.345 -16.789   3.244
  451    H4*    A 203           H4*        A 203  12.447 -17.845   3.118
  452    H3*    A 203           H3*        A 203  11.685 -16.300   0.692
  453   1H2*    A 203          1H2*        A 203  13.543 -17.019  -0.542
  454   2HO*    A 203          2HO*        A 203  14.978 -18.467   1.138
  455    H1*    A 203           H1*        A 203  13.420 -19.701   0.338
  456    H8     A 203           H8         A 203  10.310 -17.739  -0.704
  457   1H6     A 203          1H6         A 203  10.840 -20.720  -6.161
  458   2H6     A 203          2H6         A 203   9.846 -19.612  -5.242
  459    H2     A 203           H2         A 203  14.318 -21.828  -3.628
  460   1H5*    C 204          1H5*        C 204  15.642 -15.665   1.447
  461   2H5*    C 204          2H5*        C 204  16.265 -14.052   1.107
  462    H4*    C 204           H4*        C 204  17.433 -15.581  -0.283
  463    H3*    C 204           H3*        C 204  15.373 -13.997  -1.831
  464   1H2*    C 204          1H2*        C 204  16.272 -14.886  -3.810
  465   2HO*    C 204          2HO*        C 204  18.387 -15.932  -2.168
  466    H1*    C 204           H1*        C 204  16.654 -17.478  -2.798
  467   1H4     C 204          1H4         C 204  11.032 -18.044  -5.721
  468   2H4     C 204          2H4         C 204  10.300 -16.932  -4.587
  469    H5     C 204           H5         C 204  11.492 -15.820  -2.878
  470    H6     C 204           H6         C 204  13.703 -15.499  -1.826
  471   1H5*    U 205          1H5*        U 205  19.161 -12.844  -2.857
  472   2H5*    U 205          2H5*        U 205  19.533 -11.347  -3.712
  473    H4*    U 205           H4*        U 205  19.530 -13.665  -4.948
  474    H3*    U 205           H3*        U 205  18.592 -11.012  -6.009
  475   1H2*    U 205          1H2*        U 205  17.486 -12.112  -7.665
  476   2HO*    U 205          2HO*        U 205  19.536 -13.859  -8.291
  477    H1*    U 205           H1*        U 205  18.236 -14.869  -7.092
  478    H3     U 205           H3         U 205  13.905 -15.539  -8.136
  479    H5     U 205           H5         U 205  13.703 -13.089  -4.745
  480    H6     U 205           H6         U 205  16.146 -12.906  -4.854
  481   1H5*    A 206          1H5*        A 206  21.257 -11.583  -9.315
  482   2H5*    A 206          2H5*        A 206  21.618  -9.914  -9.758
  483    H4*    A 206           H4*        A 206  20.128 -11.231 -11.332
  484    H3*    A 206           H3*        A 206  19.153  -8.570 -10.239
  485   1H2*    A 206          1H2*        A 206  17.388  -8.787 -11.674
  486   2HO*    A 206          2HO*        A 206  19.109  -8.635 -13.316
  487    H1*    A 206           H1*        A 206  17.729 -11.617 -12.259
  488    H8     A 206           H8         A 206  16.996 -10.372  -8.754
  489   1H6     A 206          1H6         A 206  11.020 -11.684  -9.990
  490   2H6     A 206          2H6         A 206  12.130 -11.177  -8.737
  491    H2     A 206           H2         A 206  13.370 -12.254 -13.719
  492   1H5*    G 207          1H5*        G 207  20.168  -7.105 -14.049
  493   2H5*    G 207          2H5*        G 207  19.908  -5.361 -13.988
  494    H4*    G 207           H4*        G 207  18.016  -6.691 -14.941
  495    H3*    G 207           H3*        G 207  17.256  -5.164 -12.421
  496   1H2*    G 207          1H2*        G 207  15.124  -5.156 -13.429
  497   2HO*    G 207          2HO*        G 207  16.166  -6.176 -15.857
  498    H1*    G 207           H1*        G 207  15.478  -7.757 -14.550
  499    H8     G 207           H8         G 207  16.310  -6.979 -10.910
  500    H1     G 207           H1         G 207  10.446  -9.534 -11.899
  501   1H2     G 207          1H2         G 207  10.102  -9.703 -13.925
  502   2H2     G 207          2H2         G 207  11.234  -9.226 -15.171
  503   1H5*    C 208          1H5*        C 208  17.676  -1.848 -15.618
  504   2H5*    C 208          2H5*        C 208  17.406  -0.233 -14.964
  505    H4*    C 208           H4*        C 208  15.629  -1.010 -16.509
  506    H3*    C 208           H3*        C 208  15.021  -0.145 -13.716
  507   1H2*    C 208          1H2*        C 208  12.786  -0.754 -13.870
  508   2HO*    C 208          2HO*        C 208  11.824  -0.639 -15.922
  509    H1*    C 208           H1*        C 208  13.283  -2.992 -15.627
  510   1H4     C 208          1H4         C 208  11.568  -5.775 -10.161
  511   2H4     C 208          2H4         C 208  13.039  -5.215  -9.399
  512    H5     C 208           H5         C 208  14.618  -3.815 -10.457
  513    H6     C 208           H6         C 208  15.181  -2.595 -12.529
  514   1H5*    G 209          1H5*        G 209  12.804   1.638 -16.278
  515   2H5*    G 209          2H5*        G 209  11.898   3.151 -16.284
  516    H4*    G 209           H4*        G 209  10.637   1.397 -15.187
  517    H3*    G 209           H3*        G 209  11.611   3.322 -13.044
  518   1H2*    G 209          1H2*        G 209   9.705   2.577 -11.937
  519   2HO*    G 209          2HO*        G 209   8.788   1.797 -14.554
  520    H1*    G 209           H1*        G 209   9.603  -0.001 -12.954
  521    H8     G 209           H8         G 209  12.887   1.781 -12.080
  522    H1     G 209           H1         G 209  10.797  -2.520  -7.718
  523   1H2     G 209          1H2         G 209   8.979  -3.283  -8.321
  524   2H2     G 209          2H2         G 209   8.145  -2.826  -9.789
  525   1H5*    G 210          1H5*        G 210  10.624   6.623 -11.410
  526   2H5*    G 210          2H5*        G 210  10.253   4.903 -11.530
  527    H4*    G 210           H4*        G 210   8.331   5.234 -10.487
  528    H3*    G 210           H3*        G 210   7.736   6.640 -12.980
  529   1H2*    G 210          1H2*        G 210   7.008   8.534 -11.909
  530   2HO*    G 210          2HO*        G 210   4.874   7.955 -10.892
  531    H1*    G 210           H1*        G 210   6.567   7.614  -9.196
  532    H8     G 210           H8         G 210   9.813   8.417 -11.089
  533    H1     G 210           H1         G 210   8.129  12.650  -6.492
  534   1H2     G 210          1H2         G 210   6.334  12.078  -5.652
  535   2H2     G 210          2H2         G 210   5.422  10.662  -6.123
  536   1H5*    A 211          1H5*        A 211   7.889   3.447 -11.229
  537   2H5*    A 211          2H5*        A 211   7.780   1.719 -11.561
  538    H4*    A 211           H4*        A 211   6.733   1.902  -9.515
  539    H3*    A 211           H3*        A 211   4.726   1.828 -11.715
  540   1H2*    A 211          1H2*        A 211   3.580   3.317 -10.248
  541   2HO*    A 211          2HO*        A 211   2.447   1.365 -10.598
  542    H1*    A 211           H1*        A 211   4.598   1.683  -7.883
  543    H8     A 211           H8         A 211   4.822   5.365  -8.932
  544   1H6     A 211          1H6         A 211   1.868   6.554  -3.564
  545   2H6     A 211          2H6         A 211   2.609   7.290  -4.967
  546    H2     A 211           H2         A 211   2.237   2.147  -4.001
  547   1H5*    G 212          1H5*        G 212   3.298  -3.283 -10.489
  548   2H5*    G 212          2H5*        G 212   2.459  -3.002  -8.965
  549    H4*    G 212           H4*        G 212   5.241  -3.627  -9.463
  550    H3*    G 212           H3*        G 212   3.288  -3.913  -7.282
  551   1H2*    G 212          1H2*        G 212   4.596  -2.945  -5.693
  552   2HO*    G 212          2HO*        G 212   6.368  -4.261  -5.247
  553    H1*    G 212           H1*        G 212   6.886  -2.533  -7.615
  554    H8     G 212           H8         G 212   4.001  -0.422  -6.204
  555    H1     G 212           H1         G 212   9.958   1.756  -4.921
  556   1H2     G 212          1H2         G 212  11.352   0.458  -5.712
  557   2H2     G 212          2H2         G 212  10.963  -1.003  -6.592
  558   1H5*    G 213          1H5*        G 213   3.687  -5.075  -9.771
  559   2H5*    G 213          2H5*        G 213   1.953  -4.926  -9.483
  560    H4*    G 213           H4*        G 213   1.395  -6.265 -11.239
  561    H3*    G 213           H3*        G 213   3.544  -7.983 -10.379
  562   1H2*    G 213          1H2*        G 213   4.695  -8.299 -12.369
  563   2HO*    G 213          2HO*        G 213   2.272  -7.245 -13.519
  564    H1*    G 213           H1*        G 213   4.526  -5.772 -13.440
  565    H8     G 213           H8         G 213   4.921  -6.637  -9.714
  566    H1     G 213           H1         G 213  10.163  -4.168 -12.596
  567   1H2     G 213          1H2         G 213   9.748  -3.800 -14.582
  568   2H2     G 213          2H2         G 213   8.208  -4.114 -15.352
  569   1H5*    C 214          1H5*        C 214   1.848  -9.794 -13.690
  570   2H5*    C 214          2H5*        C 214   1.750 -11.555 -13.692
  571    H4*    C 214           H4*        C 214   3.178 -10.868 -15.478
  572    H3*    C 214           H3*        C 214   4.658 -12.129 -13.167
  573   1H2*    C 214          1H2*        C 214   6.620 -12.122 -14.484
  574   2HO*    C 214          2HO*        C 214   4.835 -11.270 -16.581
  575    H1*    C 214           H1*        C 214   6.304  -9.522 -15.417
  576   1H4     C 214          1H4         C 214   9.794  -8.527 -10.195
  577   2H4     C 214          2H4         C 214   8.490  -9.098  -9.178
  578    H5     C 214           H5         C 214   6.444  -9.934 -10.008
  579    H6     C 214           H6         C 214   5.131 -10.435 -12.040
  580   1H5*    U 215          1H5*        U 215   4.972 -14.429 -16.434
  581   2H5*    U 215          2H5*        U 215   5.093 -16.188 -16.419
  582    H4*    U 215           H4*        U 215   7.123 -15.192 -17.292
  583    H3*    U 215           H3*        U 215   7.309 -16.686 -14.697
  584   1H2*    U 215          1H2*        U 215   9.470 -16.014 -14.364
  585   2HO*    U 215          2HO*        U 215   9.503 -15.967 -17.245
  586    H1*    U 215           H1*        U 215   9.485 -13.759 -16.177
  587    H3     U 215           H3         U 215  11.018 -11.647 -12.517
  588    H5     U 215           H5         U 215   7.212 -12.934 -11.336
  589    H6     U 215           H6         U 215   7.049 -14.105 -13.484
  590   1H5*    A 216          1H5*        A 216   9.670 -18.180 -17.426
  591   2H5*    A 216          2H5*        A 216  10.232 -19.833 -17.678
  592    H4*    A 216           H4*        A 216  12.045 -18.509 -16.842
  593    H3*    A 216           H3*        A 216  10.951 -20.484 -14.832
  594   1H2*    A 216          1H2*        A 216  12.590 -19.841 -13.339
  595   2HO*    A 216          2HO*        A 216  14.342 -18.551 -14.965
  596    H1*    A 216           H1*        A 216  12.898 -17.178 -14.497
  597    H8     A 216           H8         A 216   9.616 -18.363 -13.019
  598   1H6     A 216          1H6         A 216  11.363 -15.388  -7.818
  599   2H6     A 216          2H6         A 216  10.047 -16.248  -8.584
  600    H2     A 216           H2         A 216  14.759 -15.291 -10.683
  601   1H5*    G 217          1H5*        G 217  14.607 -21.305 -15.823
  602   2H5*    G 217          2H5*        G 217  15.486 -22.830 -15.704
  603    H4*    G 217           H4*        G 217  16.269 -21.576 -13.907
  604    H3*    G 217           H3*        G 217  14.043 -23.322 -12.796
  605   1H2*    G 217          1H2*        G 217  14.912 -22.788 -10.686
  606   2HO*    G 217          2HO*        G 217  17.195 -21.746 -12.088
  607    H1*    G 217           H1*        G 217  15.684 -20.134 -11.559
  608    H8     G 217           H8         G 217  12.133 -21.447 -11.900
  609    H1     G 217           H1         G 217  13.232 -17.933  -6.578
  610   1H2     G 217          1H2         G 217  15.244 -17.498  -6.443
  611   2H2     G 217          2H2         G 217  16.453 -18.010  -7.600
  612   1H5*    U 218          1H5*        U 218  17.694 -24.661 -11.952
  613   2H5*    U 218          2H5*        U 218  18.262 -26.311 -11.697
  614    H4*    U 218           H4*        U 218  18.633 -25.329  -9.644
  615    H3*    U 218           H3*        U 218  15.930 -26.675  -9.522
  616   1H2*    U 218          1H2*        U 218  15.802 -26.120  -7.254
  617   2HO*    U 218          2HO*        U 218  18.015 -25.312  -6.380
  618    H1*    U 218           H1*        U 218  17.189 -23.609  -7.655
  619    H3     U 218           H3         U 218  13.418 -22.109  -5.683
  620    H5     U 218           H5         U 218  12.057 -23.660  -9.327
  621    H6     U 218           H6         U 218  14.334 -24.481  -9.715
  622   1H5*    C 219          1H5*        C 219  18.273 -27.895  -5.926
  623   2H5*    C 219          2H5*        C 219  18.055 -29.646  -5.934
  624    H4*    C 219           H4*        C 219  17.495 -28.906  -3.765
  625    H3*    C 219           H3*        C 219  15.192 -29.756  -5.440
  626   1H2*    C 219          1H2*        C 219  13.584 -29.031  -3.903
  627   2HO*    C 219          2HO*        C 219  15.143 -28.224  -1.837
  628    H1*    C 219           H1*        C 219  15.134 -26.685  -3.202
  629   1H4     C 219          1H4         C 219  10.147 -24.269  -6.345
  630   2H4     C 219          2H4         C 219  10.716 -24.996  -7.831
  631    H5     C 219           H5         C 219  12.603 -26.409  -7.966
  632    H6     C 219           H6         C 219  14.428 -27.484  -6.695
  633   1H5*    C 220          1H5*        C 220  14.749 -32.593  -1.954
  634   2H5*    C 220          2H5*        C 220  14.830 -34.194  -2.688
  635    H4*    C 220           H4*        C 220  12.841 -34.238  -1.494
  636    H3*    C 220           H3*        C 220  12.397 -33.798  -4.398
  637   1H2*    C 220          1H2*        C 220  10.089 -33.393  -4.147
  638   2HO*    C 220          2HO*        C 220   9.113 -34.289  -2.375
  639    H1*    C 220           H1*        C 220  10.475 -31.738  -1.852
  640   1H4     C 220          1H4         C 220   9.451 -27.406  -6.392
  641   2H4     C 220          2H4         C 220  10.825 -27.988  -7.304
  642    H5     C 220           H5         C 220  12.151 -29.830  -6.652
  643    H6     C 220           H6         C 220  12.489 -31.584  -4.946
   
  No H/Q in entry =         643
  Start of MODEL   12
    1    H    MET   1           HN       MET   1   4.272 -15.840   0.158
    2    HA   MET   1           HA       MET   1   3.884 -15.612   2.419
    3   1HB   MET   1          2HB       MET   1   6.514 -14.129   2.231
    4   2HB   MET   1          3HB       MET   1   5.419 -13.640   3.509
    5   1HG   MET   1          2HG       MET   1   5.270 -16.302   3.916
    6   2HG   MET   1          3HG       MET   1   6.833 -16.279   3.125
    7   1HE   MET   1          2HE       MET   1   4.763 -15.545   6.192
    8   2HE   MET   1          3HE       MET   1   5.716 -14.389   7.152
    9   3HE   MET   1          1HE       MET   1   4.912 -13.854   5.657
   10    H    GLN   2           HN       GLN   2   2.393 -14.621   0.460
   11    HA   GLN   2           HA       GLN   2   1.065 -13.032  -0.201
   12   1HB   GLN   2          2HB       GLN   2   1.015 -12.999   2.597
   13   2HB   GLN   2          3HB       GLN   2   1.195 -11.306   2.186
   14   1HG   GLN   2          2HG       GLN   2  -0.904 -13.112   0.903
   15   2HG   GLN   2          3HG       GLN   2  -1.218 -12.156   2.339
   16   1HE2  GLN   2          2HE2      GLN   2  -2.435 -10.186  -0.507
   17   2HE2  GLN   2          1HE2      GLN   2  -2.792 -11.677   0.299
   18    H    LYS   3           HN       LYS   3   1.919 -11.832  -1.863
   19    HA   LYS   3           HA       LYS   3   2.825 -10.106  -2.905
   20   1HB   LYS   3          2HB       LYS   3   1.672  -8.734  -1.183
   21   2HB   LYS   3          3HB       LYS   3   3.105  -8.807  -0.178
   22   1HG   LYS   3          2HG       LYS   3   4.350  -7.900  -2.335
   23   2HG   LYS   3          3HG       LYS   3   2.744  -7.423  -2.850
   24   1HD   LYS   3          2HD       LYS   3   3.379  -6.694  -0.035
   25   2HD   LYS   3          3HD       LYS   3   4.400  -5.910  -1.224
   26   1HE   LYS   3          2HE       LYS   3   2.506  -4.458  -0.927
   27   2HE   LYS   3          3HE       LYS   3   2.268  -5.238  -2.478
   28   1HZ   LYS   3          1HZ       LYS   3   1.094  -6.436  -0.051
   29   2HZ   LYS   3          2HZ       LYS   3   0.322  -5.217  -0.803
   30    H    GLY   4           HN       GLY   4   4.393 -12.179  -2.892
   31   1HA   GLY   4          1HA       GLY   4   6.801 -12.091  -1.482
   32   2HA   GLY   4          2HA       GLY   4   6.519 -12.894  -3.015
   33    H    ASN   5           HN       ASN   5   5.592 -10.093  -4.109
   34    HA   ASN   5           HA       ASN   5   7.937  -9.502  -5.392
   35   1HB   ASN   5          2HB       ASN   5   5.316  -8.698  -5.621
   36   2HB   ASN   5          3HB       ASN   5   6.010  -7.242  -4.939
   37   1HD2  ASN   5          2HD2      ASN   5   7.375  -6.115  -7.898
   38   2HD2  ASN   5          1HD2      ASN   5   6.806  -5.829  -6.287
   39    H    PHE   6           HN       PHE   6   6.883  -8.819  -2.157
   40    HA   PHE   6           HA       PHE   6   8.042  -6.331  -1.698
   41   1HB   PHE   6          2HB       PHE   6   6.490  -7.387  -0.121
   42   2HB   PHE   6          3HB       PHE   6   7.456  -8.847  -0.048
   43    HD1  PHE   6           HD1      PHE   6   9.572  -8.869   1.234
   44    HD2  PHE   6           HD2      PHE   6   7.000  -5.494   1.259
   45    HE1  PHE   6           HE1      PHE   6  10.736  -7.997   3.280
   46    HE2  PHE   6           HE2      PHE   6   8.164  -4.622   3.305
   47    HZ   PHE   6           HZ       PHE   6  10.018  -5.884   4.291
   48    H    ARG   7           HN       ARG   7   9.484  -9.439  -2.319
   49    HA   ARG   7           HA       ARG   7  11.741  -9.244  -0.764
   50   1HB   ARG   7          2HB       ARG   7  11.332 -10.521  -3.515
   51   2HB   ARG   7          3HB       ARG   7  12.759 -10.786  -2.532
   52   1HG   ARG   7          2HG       ARG   7  11.468 -11.841  -0.772
   53   2HG   ARG   7          3HG       ARG   7   9.951 -11.319  -1.475
   54   1HD   ARG   7          2HD       ARG   7  11.898 -13.256  -2.818
   55   2HD   ARG   7          3HD       ARG   7  10.471 -13.746  -1.928
   56    HE   ARG   7           HE       ARG   7  10.009 -11.811  -4.117
   57   1HH1  ARG   7          2HH2      ARG   7   9.973 -15.205  -3.101
   58   2HH1  ARG   7          1HH2      ARG   7   8.931 -15.709  -4.390
   59    HH2  ARG   7           HH1      ARG   7   8.155 -14.087  -5.974
   60    H    ASN   8           HN       ASN   8  10.688  -7.252  -3.345
   61    HA   ASN   8           HA       ASN   8  12.961  -6.736  -4.752
   62   1HB   ASN   8          2HB       ASN   8  11.924  -4.475  -5.184
   63   2HB   ASN   8          3HB       ASN   8  10.777  -5.786  -5.375
   64   1HD2  ASN   8          2HD2      ASN   8   9.613  -2.821  -3.194
   65   2HD2  ASN   8          1HD2      ASN   8  10.581  -2.873  -4.630
   66    H    GLN   9           HN       GLN   9  12.170  -6.095  -1.413
   67    HA   GLN   9           HA       GLN   9  13.613  -3.772  -0.992
   68   1HB   GLN   9          2HB       GLN   9  12.641  -6.039   0.738
   69   2HB   GLN   9          3HB       GLN   9  13.779  -4.902   1.434
   70   1HG   GLN   9          2HG       GLN   9  12.248  -3.012   0.678
   71   2HG   GLN   9          3HG       GLN   9  11.083  -4.219   0.171
   72   1HE2  GLN   9          2HE2      GLN   9   9.905  -3.286   3.457
   73   2HE2  GLN   9          1HE2      GLN   9   9.970  -2.713   1.823
   74    H    ARG  10           HN       ARG  10  14.689  -6.858  -1.963
   75    HA   ARG  10           HA       ARG  10  17.124  -6.827  -0.514
   76   1HB   ARG  10          2HB       ARG  10  17.679  -8.821  -1.821
   77   2HB   ARG  10          3HB       ARG  10  15.997  -8.933  -1.342
   78   1HG   ARG  10          2HG       ARG  10  15.313  -8.987  -3.505
   79   2HG   ARG  10          3HG       ARG  10  16.171  -7.503  -3.868
   80   1HD   ARG  10          2HD       ARG  10  17.752 -10.072  -3.603
   81   2HD   ARG  10          3HD       ARG  10  16.843  -9.788  -5.074
   82    HE   ARG  10           HE       ARG  10  19.194  -8.260  -4.135
   83   1HH1  ARG  10          2HH2      ARG  10  16.521  -8.456  -6.453
   84   2HH1  ARG  10          1HH2      ARG  10  17.256  -7.368  -7.582
   85    HH2  ARG  10           HH1      ARG  10  19.398  -6.420  -7.074
   86    H    LYS  11           HN       LYS  11  16.019  -4.777  -2.816
   87    HA   LYS  11           HA       LYS  11  18.697  -4.428  -3.952
   88   1HB   LYS  11          2HB       LYS  11  17.421  -5.514  -5.682
   89   2HB   LYS  11          3HB       LYS  11  16.072  -4.419  -5.462
   90   1HG   LYS  11          2HG       LYS  11  17.163  -2.625  -6.499
   91   2HG   LYS  11          3HG       LYS  11  18.760  -3.199  -6.062
   92   1HD   LYS  11          2HD       LYS  11  18.872  -4.708  -7.852
   93   2HD   LYS  11          3HD       LYS  11  17.133  -4.907  -7.939
   94   1HE   LYS  11          2HE       LYS  11  17.014  -3.333  -9.565
   95   2HE   LYS  11          3HE       LYS  11  17.690  -2.137  -8.478
   96   1HZ   LYS  11          1HZ       LYS  11  18.939  -3.096 -10.691
   97   2HZ   LYS  11          2HZ       LYS  11  19.696  -2.318  -9.477
   98    H    THR  12           HN       THR  12  17.657  -3.217  -1.591
   99    HA   THR  12           HA       THR  12  16.945  -1.240  -0.730
  100    HB   THR  12           HB       THR  12  19.497  -1.237  -1.424
  101    HG1  THR  12           HG1      THR  12  19.400   0.606  -0.164
  102   1HG2  THR  12          2HG2      THR  12  18.414  -0.111  -3.780
  103   2HG2  THR  12          3HG2      THR  12  18.985   1.291  -2.845
  104   3HG2  THR  12          1HG2      THR  12  20.115  -0.019  -3.263
  105    H    VAL  13           HN       VAL  13  15.003  -1.942  -2.519
  106    HA   VAL  13           HA       VAL  13  14.439  -0.436  -4.655
  107    HB   VAL  13           HB       VAL  13  12.039  -0.563  -3.871
  108   1HG1  VAL  13          2HG1      VAL  13  13.932  -2.755  -4.388
  109   2HG1  VAL  13          3HG1      VAL  13  12.434  -3.271  -3.578
  110   3HG1  VAL  13          1HG1      VAL  13  12.352  -2.402  -5.129
  111   1HG2  VAL  13          3HG2      VAL  13  13.365  -1.857  -1.468
  112   2HG2  VAL  13          1HG2      VAL  13  12.324  -0.412  -1.484
  113   3HG2  VAL  13          2HG2      VAL  13  11.637  -2.010  -1.867
  114    H    LYS  14           HN       LYS  14  13.234   1.574  -5.036
  115    HA   LYS  14           HA       LYS  14  13.880   3.543  -2.960
  116   1HB   LYS  14          2HB       LYS  14  15.084   4.023  -4.949
  117   2HB   LYS  14          3HB       LYS  14  13.689   3.736  -5.969
  118   1HG   LYS  14          2HG       LYS  14  12.540   5.714  -5.034
  119   2HG   LYS  14          3HG       LYS  14  13.842   5.967  -3.887
  120   1HD   LYS  14          2HD       LYS  14  14.240   7.502  -5.698
  121   2HD   LYS  14          3HD       LYS  14  15.432   6.229  -5.869
  122   1HE   LYS  14          2HE       LYS  14  13.691   5.083  -7.461
  123   2HE   LYS  14          3HE       LYS  14  12.893   6.644  -7.491
  124   1HZ   LYS  14          1HZ       LYS  14  14.471   7.420  -8.875
  125   2HZ   LYS  14          2HZ       LYS  14  15.698   6.931  -7.924
  126    H    CYS  15           HN       CYS  15  12.291   4.903  -2.140
  127    HA   CYS  15           HA       CYS  15   9.627   3.940  -2.469
  128   1HB   CYS  15          2HB       CYS  15  10.484   4.663  -0.271
  129   2HB   CYS  15          3HB       CYS  15  10.685   6.297  -0.872
  130    H    PHE  16           HN       PHE  16   8.369   4.555  -4.192
  131    HA   PHE  16           HA       PHE  16   9.104   6.831  -5.751
  132   1HB   PHE  16          2HB       PHE  16   6.930   4.685  -5.683
  133   2HB   PHE  16          3HB       PHE  16   6.743   6.040  -6.779
  134    HD1  PHE  16           HD1      PHE  16   9.532   6.449  -7.681
  135    HD2  PHE  16           HD2      PHE  16   7.341   2.866  -7.072
  136    HE1  PHE  16           HE1      PHE  16  10.973   5.280  -9.371
  137    HE2  PHE  16           HE2      PHE  16   8.782   1.697  -8.763
  138    HZ   PHE  16           HZ       PHE  16  10.581   2.918  -9.893
  139    H    ASN  17           HN       ASN  17   7.819   6.814  -2.779
  140    HA   ASN  17           HA       ASN  17   5.669   8.655  -3.406
  141   1HB   ASN  17          2HB       ASN  17   5.546   6.639  -1.680
  142   2HB   ASN  17          3HB       ASN  17   6.419   7.717  -0.609
  143   1HD2  ASN  17          2HD2      ASN  17   3.225   8.679   0.489
  144   2HD2  ASN  17          1HD2      ASN  17   4.634   7.716   0.786
  145    H    CYS  18           HN       CYS  18   8.457   8.248  -1.081
  146    HA   CYS  18           HA       CYS  18   8.572  11.134  -0.796
  147   1HB   CYS  18          2HB       CYS  18  10.188  10.645   1.033
  148   2HB   CYS  18          3HB       CYS  18   8.612   9.921   1.282
  149    H    GLY  19           HN       GLY  19  10.452   8.260  -1.897
  150   1HA   GLY  19          1HA       GLY  19  11.842   8.404  -3.804
  151   2HA   GLY  19          2HA       GLY  19  12.191  10.079  -3.427
  152    H    LYS  20           HN       LYS  20  12.098   7.590  -0.877
  153    HA   LYS  20           HA       LYS  20  15.010   7.885  -0.645
  154   1HB   LYS  20          2HB       LYS  20  12.861   8.209   1.261
  155   2HB   LYS  20          3HB       LYS  20  13.930   6.922   1.784
  156   1HG   LYS  20          2HG       LYS  20  15.864   8.616   1.143
  157   2HG   LYS  20          3HG       LYS  20  14.602   9.828   1.235
  158   1HD   LYS  20          2HD       LYS  20  14.117   8.471   3.569
  159   2HD   LYS  20          3HD       LYS  20  15.843   8.206   3.423
  160   1HE   LYS  20          2HE       LYS  20  16.345  10.527   3.509
  161   2HE   LYS  20          3HE       LYS  20  14.727  10.997   3.026
  162   1HZ   LYS  20          1HZ       LYS  20  15.656  10.761   5.619
  163   2HZ   LYS  20          2HZ       LYS  20  14.112  11.029   5.174
  164    H    GLU  21           HN       GLU  21  16.298   6.040  -0.419
  165    HA   GLU  21           HA       GLU  21  15.021   3.665  -1.383
  166   1HB   GLU  21          2HB       GLU  21  17.844   4.632  -1.038
  167   2HB   GLU  21          3HB       GLU  21  17.593   2.898  -1.055
  168   1HG   GLU  21          2HG       GLU  21  17.108   2.865  -3.291
  169   2HG   GLU  21          3HG       GLU  21  16.071   4.274  -3.182
  170    HE2  GLU  21           HE2      GLU  21  16.807   5.964  -4.005
  171    H    GLY  22           HN       GLY  22  14.865   1.661  -0.270
  172   1HA   GLY  22          1HA       GLY  22  15.749   0.427   1.710
  173   2HA   GLY  22          2HA       GLY  22  15.355   1.857   2.641
  174    H    HIS  23           HN       HIS  23  12.903   2.346   0.825
  175    HA   HIS  23           HA       HIS  23  11.255   0.068   1.445
  176   1HB   HIS  23          2HB       HIS  23   9.771   1.108   2.925
  177   2HB   HIS  23          3HB       HIS  23  11.365   1.502   3.536
  178    HD1  HIS  23           HD1      HIS  23  12.102   3.987   3.497
  179    HD2  HIS  23           HD2      HIS  23   8.314   3.306   1.827
  180    HE1  HIS  23           HE1      HIS  23  11.024   6.282   3.211
  181    H    ILE  24           HN       ILE  24   9.069   0.278   0.435
  182    HA   ILE  24           HA       ILE  24   9.244   2.087  -1.869
  183    HB   ILE  24           HB       ILE  24   8.000   0.509  -3.111
  184   1HG1  ILE  24          2HG1      ILE  24   7.684  -1.181  -0.614
  185   2HG1  ILE  24          3HG1      ILE  24   6.442  -0.116  -1.244
  186   1HG2  ILE  24          2HG2      ILE  24  10.530   0.031  -2.209
  187   2HG2  ILE  24          3HG2      ILE  24   9.710  -1.491  -1.788
  188   3HG2  ILE  24          1HG2      ILE  24   9.698  -0.910  -3.470
  189   1HD1  ILE  24          1HD1      ILE  24   7.741  -2.306  -2.922
  190   2HD1  ILE  24          2HD1      ILE  24   6.252  -2.550  -1.979
  191   3HD1  ILE  24          3HD1      ILE  24   6.278  -1.368  -3.309
  192    H    ALA  25           HN       ALA  25   7.125   2.951  -2.674
  193    HA   ALA  25           HA       ALA  25   5.835   4.398  -0.756
  194   1HB   ALA  25          3HB       ALA  25   5.150   3.491  -3.549
  195   2HB   ALA  25          1HB       ALA  25   3.954   4.407  -2.601
  196   3HB   ALA  25          2HB       ALA  25   5.546   5.121  -2.954
  197    H    LYS  26           HN       LYS  26   5.165   1.078  -1.928
  198    HA   LYS  26           HA       LYS  26   2.652   0.789  -0.766
  199   1HB   LYS  26          2HB       LYS  26   4.746  -1.355  -1.230
  200   2HB   LYS  26          3HB       LYS  26   3.020  -1.597  -1.049
  201   1HG   LYS  26          2HG       LYS  26   3.858   0.359  -3.163
  202   2HG   LYS  26          3HG       LYS  26   4.253  -1.320  -3.471
  203   1HD   LYS  26          2HD       LYS  26   1.548  -1.214  -2.456
  204   2HD   LYS  26          3HD       LYS  26   1.696  -0.018  -3.728
  205   1HE   LYS  26          2HE       LYS  26   2.572  -1.721  -5.290
  206   2HE   LYS  26          3HE       LYS  26   2.584  -2.927  -4.019
  207   1HZ   LYS  26          1HZ       LYS  26   0.140  -1.572  -5.031
  208   2HZ   LYS  26          2HZ       LYS  26   0.578  -3.098  -5.390
  209    H    ASN  27           HN       ASN  27   5.977   0.221   0.526
  210    HA   ASN  27           HA       ASN  27   4.779  -0.381   3.085
  211   1HB   ASN  27          2HB       ASN  27   7.640  -0.527   2.013
  212   2HB   ASN  27          3HB       ASN  27   7.270  -0.791   3.705
  213   1HD2  ASN  27          2HD2      ASN  27   5.906  -3.450   0.821
  214   2HD2  ASN  27          1HD2      ASN  27   6.172  -1.776   0.465
  215    H    CYS  28           HN       CYS  28   5.120   2.370   1.537
  216    HA   CYS  28           HA       CYS  28   6.900   3.804   3.273
  217   1HB   CYS  28          2HB       CYS  28   6.772   4.412   0.907
  218   2HB   CYS  28          3HB       CYS  28   5.062   4.760   1.054
  219    H    ARG  29           HN       ARG  29   6.212   5.403   4.832
  220    HA   ARG  29           HA       ARG  29   3.663   4.766   5.945
  221   1HB   ARG  29          2HB       ARG  29   6.126   6.245   6.805
  222   2HB   ARG  29          3HB       ARG  29   4.628   6.798   7.526
  223   1HG   ARG  29          2HG       ARG  29   4.175   4.683   8.527
  224   2HG   ARG  29          3HG       ARG  29   5.272   3.833   7.456
  225   1HD   ARG  29          2HD       ARG  29   7.149   4.392   8.698
  226   2HD   ARG  29          3HD       ARG  29   6.524   5.967   9.144
  227    HE   ARG  29           HE       ARG  29   4.969   3.860  10.384
  228   1HH1  ARG  29          2HH2      ARG  29   8.035   5.612  10.663
  229   2HH1  ARG  29          1HH2      ARG  29   8.186   5.329  12.365
  230    HH2  ARG  29           HH1      ARG  29   6.487   4.076  13.501
  231    H    ALA  30           HN       ALA  30   5.303   7.468   4.251
  232    HA   ALA  30           HA       ALA  30   3.505   9.499   4.759
  233   1HB   ALA  30          3HB       ALA  30   5.485   8.813   2.617
  234   2HB   ALA  30          1HB       ALA  30   4.328  10.125   2.285
  235   3HB   ALA  30          2HB       ALA  30   5.411  10.230   3.693
  236    HA   PRO  31           HA       PRO  31  -0.029   8.428   2.510
  237   1HB   PRO  31          2HB       PRO  31  -1.086  10.873   1.896
  238   2HB   PRO  31          3HB       PRO  31  -1.256  10.123   3.471
  239   1HG   PRO  31          2HG       PRO  31   0.497  12.362   2.664
  240   2HG   PRO  31          3HG       PRO  31  -0.002  11.884   4.274
  241   1HD   PRO  31          2HD       PRO  31   2.550  11.405   3.057
  242   2HD   PRO  31          3HD       PRO  31   2.010  10.828   4.621
  243    H    ARG  32           HN       ARG  32  -1.092   8.191   0.470
  244    HA   ARG  32           HA       ARG  32   0.713   7.978  -1.553
  245   1HB   ARG  32          2HB       ARG  32  -2.293   8.460  -1.866
  246   2HB   ARG  32          3HB       ARG  32  -1.252   7.669  -3.033
  247   1HG   ARG  32          2HG       ARG  32  -1.053   6.447  -0.353
  248   2HG   ARG  32          3HG       ARG  32  -2.689   6.406  -0.980
  249   1HD   ARG  32          2HD       ARG  32  -1.812   4.429  -1.889
  250   2HD   ARG  32          3HD       ARG  32  -1.546   5.550  -3.210
  251    HE   ARG  32           HE       ARG  32   0.739   5.215  -2.930
  252   1HH1  ARG  32          2HH2      ARG  32  -0.844   4.601   0.181
  253   2HH1  ARG  32          1HH2      ARG  32   0.624   4.146   0.980
  254    HH2  ARG  32           HH1      ARG  32   2.682   4.162  -0.250
  255    H    LYS  33           HN       LYS  33   1.929   9.703  -2.318
  256    HA   LYS  33           HA       LYS  33   0.407  12.016  -3.272
  257   1HB   LYS  33          2HB       LYS  33   2.121  12.038  -1.030
  258   2HB   LYS  33          3HB       LYS  33   3.026  12.798  -2.323
  259   1HG   LYS  33          2HG       LYS  33   1.843  14.683  -1.833
  260   2HG   LYS  33          3HG       LYS  33   0.506  13.919  -2.669
  261   1HD   LYS  33          2HD       LYS  33  -0.629  13.452  -0.721
  262   2HD   LYS  33          3HD       LYS  33   0.831  13.049   0.161
  263   1HE   LYS  33          2HE       LYS  33   0.944  15.863  -0.453
  264   2HE   LYS  33          3HE       LYS  33  -0.653  15.530   0.188
  265   1HZ   LYS  33          1HZ       LYS  33   1.612  14.334   1.602
  266   2HZ   LYS  33          2HZ       LYS  33   1.403  15.939   1.778
  267    H    LYS  34           HN       LYS  34   2.300  13.439  -4.566
  268    HA   LYS  34           HA       LYS  34   3.939  11.600  -6.093
  269   1HB   LYS  34          2HB       LYS  34   3.003  12.289  -8.242
  270   2HB   LYS  34          3HB       LYS  34   1.803  11.476  -7.258
  271   1HG   LYS  34          2HG       LYS  34   0.958  13.751  -6.506
  272   2HG   LYS  34          3HG       LYS  34   2.081  14.494  -7.626
  273   1HD   LYS  34          2HD       LYS  34   0.465  14.312  -9.212
  274   2HD   LYS  34          3HD       LYS  34   0.775  12.588  -9.216
  275   1HE   LYS  34          2HE       LYS  34  -1.103  13.797  -7.157
  276   2HE   LYS  34          3HE       LYS  34  -1.677  13.447  -8.775
  277   1HZ   LYS  34          1HZ       LYS  34  -1.468  11.632  -6.728
  278   2HZ   LYS  34          2HZ       LYS  34  -1.728  11.260  -8.292
  279    H    GLY  35           HN       GLY  35   4.994  13.269  -4.295
  280   1HA   GLY  35          1HA       GLY  35   5.534  15.852  -5.540
  281   2HA   GLY  35          2HA       GLY  35   6.015  15.311  -3.944
  282    H    CYS  36           HN       CYS  36   7.221  16.131  -6.924
  283    HA   CYS  36           HA       CYS  36   8.995  14.116  -7.558
  284   1HB   CYS  36          2HB       CYS  36   8.615  15.865  -9.132
  285   2HB   CYS  36          3HB       CYS  36   9.101  17.109  -7.997
  286    H    TRP  37           HN       TRP  37  10.679  13.279  -6.375
  287    HA   TRP  37           HA       TRP  37  11.560  14.707  -4.029
  288   1HB   TRP  37          2HB       TRP  37  13.045  12.306  -4.618
  289   2HB   TRP  37          3HB       TRP  37  12.035  12.697  -3.240
  290    HD1  TRP  37           HD1      TRP  37   9.265  12.182  -3.661
  291    HE1  TRP  37           HE1      TRP  37   8.043  10.234  -4.954
  292    HE3  TRP  37           HE3      TRP  37  13.273  10.837  -6.486
  293    HZ2  TRP  37           HZ2      TRP  37   8.871   8.390  -6.969
  294    HZ3  TRP  37           HZ3      TRP  37  12.981   8.952  -8.091
  295    HH2  TRP  37           HH2      TRP  37  10.874   7.742  -8.357
  296    H    LYS  38           HN       LYS  38  12.051  16.072  -6.524
  297    HA   LYS  38           HA       LYS  38  14.979  15.995  -6.492
  298   1HB   LYS  38          2HB       LYS  38  13.483  15.024  -8.606
  299   2HB   LYS  38          3HB       LYS  38  13.815  16.671  -9.102
  300   1HG   LYS  38          2HG       LYS  38  16.070  15.017  -7.949
  301   2HG   LYS  38          3HG       LYS  38  15.564  14.717  -9.600
  302   1HD   LYS  38          2HD       LYS  38  15.747  17.567  -9.295
  303   2HD   LYS  38          3HD       LYS  38  17.190  16.888  -8.570
  304   1HE   LYS  38          2HE       LYS  38  17.048  15.379 -10.867
  305   2HE   LYS  38          3HE       LYS  38  16.313  16.867 -11.429
  306   1HZ   LYS  38          1HZ       LYS  38  18.289  18.067 -10.594
  307   2HZ   LYS  38          2HZ       LYS  38  18.976  16.668 -10.123
  308    H    CYS  39           HN       CYS  39  11.980  17.800  -7.424
  309    HA   CYS  39           HA       CYS  39  13.466  20.251  -6.827
  310   1HB   CYS  39          2HB       CYS  39  11.669  21.394  -8.167
  311   2HB   CYS  39          3HB       CYS  39  12.710  20.326  -9.085
  312    H    GLY  40           HN       GLY  40  10.644  18.184  -6.152
  313   1HA   GLY  40          1HA       GLY  40   9.593  18.116  -4.076
  314   2HA   GLY  40          2HA       GLY  40  10.116  19.753  -3.736
  315    H    LYS  41           HN       LYS  41   8.810  19.041  -6.942
  316    HA   LYS  41           HA       LYS  41   6.510  20.705  -6.276
  317   1HB   LYS  41          2HB       LYS  41   8.284  20.691  -8.419
  318   2HB   LYS  41          3HB       LYS  41   6.846  19.938  -9.079
  319   1HG   LYS  41          2HG       LYS  41   5.812  22.068  -7.573
  320   2HG   LYS  41          3HG       LYS  41   7.282  22.740  -8.252
  321   1HD   LYS  41          2HD       LYS  41   6.560  22.019 -10.535
  322   2HD   LYS  41          3HD       LYS  41   5.095  21.334  -9.860
  323   1HE   LYS  41          2HE       LYS  41   4.836  23.815  -8.833
  324   2HE   LYS  41          3HE       LYS  41   5.859  24.232 -10.192
  325   1HZ   LYS  41          1HZ       LYS  41   3.399  22.614 -10.534
  326   2HZ   LYS  41          2HZ       LYS  41   3.386  24.239 -10.640
  327    H    GLU  42           HN       GLU  42   4.561  19.815  -5.873
  328    HA   GLU  42           HA       GLU  42   4.282  17.004  -6.275
  329   1HB   GLU  42          2HB       GLU  42   2.062  17.356  -5.148
  330   2HB   GLU  42          3HB       GLU  42   3.420  17.956  -4.217
  331   1HG   GLU  42          2HG       GLU  42   2.655  20.099  -4.300
  332   2HG   GLU  42          3HG       GLU  42   2.417  20.027  -6.034
  333    HE2  GLU  42           HE2      GLU  42  -0.086  21.126  -4.981
  334    H    GLY  43           HN       GLY  43   3.543  16.093  -8.138
  335   1HA   GLY  43          1HA       GLY  43   1.327  16.324  -9.480
  336   2HA   GLY  43          2HA       GLY  43   2.088  17.803 -10.031
  337    H    HIS  44           HN       HIS  44   4.769  17.154 -10.321
  338    HA   HIS  44           HA       HIS  44   4.595  15.165 -12.447
  339   1HB   HIS  44          2HB       HIS  44   6.394  16.262 -13.499
  340   2HB   HIS  44          3HB       HIS  44   5.315  17.528 -12.948
  341    HD1  HIS  44           HD1      HIS  44   6.242  19.254 -11.313
  342    HD2  HIS  44           HD2      HIS  44   8.832  16.014 -11.935
  343    HE1  HIS  44           HE1      HIS  44   8.452  19.882 -10.203
  344    H    GLN  45           HN       GLN  45   6.945  14.077 -12.792
  345    HA   GLN  45           HA       GLN  45   7.804  13.219 -10.140
  346   1HB   GLN  45          2HB       GLN  45   8.032  10.929 -10.965
  347   2HB   GLN  45          3HB       GLN  45   6.392  11.482 -11.242
  348   1HG   GLN  45          2HG       GLN  45   7.767  12.266 -13.575
  349   2HG   GLN  45          3HG       GLN  45   8.450  10.696 -13.196
  350   1HE2  GLN  45          2HE2      GLN  45   5.749   8.852 -14.298
  351   2HE2  GLN  45          1HE2      GLN  45   7.405   8.955 -13.805
  352    H    MET  46           HN       MET  46  10.075  12.217 -10.175
  353    HA   MET  46           HA       MET  46  11.855  14.005 -11.175
  354   1HB   MET  46          2HB       MET  46  12.224  12.207  -9.398
  355   2HB   MET  46          3HB       MET  46  12.321  11.012 -10.675
  356   1HG   MET  46          2HG       MET  46  14.180  12.694 -11.649
  357   2HG   MET  46          3HG       MET  46  14.276  13.206  -9.976
  358   1HE   MET  46          1HE       MET  46  14.122  11.633  -8.126
  359   2HE   MET  46          2HE       MET  46  14.865  10.018  -8.045
  360   3HE   MET  46          3HE       MET  46  15.894  11.469  -8.107
  361    H    LYS  47           HN       LYS  47  10.759  10.875 -12.617
  362    HA   LYS  47           HA       LYS  47  12.524  10.807 -14.741
  363   1HB   LYS  47          2HB       LYS  47  11.204   8.893 -14.164
  364   2HB   LYS  47          3HB       LYS  47   9.703   9.759 -14.420
  365   1HG   LYS  47          2HG       LYS  47  10.856  10.126 -16.873
  366   2HG   LYS  47          3HG       LYS  47  11.597   8.600 -16.433
  367   1HD   LYS  47          2HD       LYS  47   9.618   7.891 -17.489
  368   2HD   LYS  47          3HD       LYS  47   9.161   7.845 -15.798
  369   1HE   LYS  47          2HE       LYS  47   7.696   9.614 -15.998
  370   2HE   LYS  47          3HE       LYS  47   8.732  10.486 -17.112
  371   1HZ   LYS  47          1HZ       LYS  47   6.542   8.812 -17.735
  372   2HZ   LYS  47          2HZ       LYS  47   7.414   9.739 -18.751
  373    H    ASP  48           HN       ASP  48   9.557  12.713 -14.215
  374    HA   ASP  48           HA       ASP  48  10.002  13.861 -16.858
  375   1HB   ASP  48          2HB       ASP  48   7.651  12.803 -15.693
  376   2HB   ASP  48          3HB       ASP  48   7.443  14.539 -15.573
  377    HD2  ASP  48           HD2      ASP  48   6.270  13.036 -18.779
  378    H    CYS  49           HN       CYS  49  11.476  14.571 -14.406
  379    HA   CYS  49           HA       CYS  49  10.387  16.669 -12.999
  380   1HB   CYS  49          2HB       CYS  49  12.477  15.453 -12.406
  381   2HB   CYS  49          3HB       CYS  49  13.310  16.267 -13.715
  382    H    THR  50           HN       THR  50   9.541  18.539 -13.855
  383    HA   THR  50           HA       THR  50  10.524  19.487 -16.413
  384    HB   THR  50           HB       THR  50   8.078  19.337 -15.908
  385    HG1  THR  50           HG1      THR  50   9.128  21.090 -17.242
  386   1HG2  THR  50          3HG2      THR  50   8.928  21.118 -13.613
  387   2HG2  THR  50          1HG2      THR  50   7.361  21.434 -14.395
  388   3HG2  THR  50          2HG2      THR  50   7.679  19.851 -13.645
  389    H    GLU  51           HN       GLU  51  11.798  19.656 -13.427
  390    HA   GLU  51           HA       GLU  51  12.298  22.501 -13.515
  391   1HB   GLU  51          2HB       GLU  51  11.844  20.839 -11.403
  392   2HB   GLU  51          3HB       GLU  51  13.595  20.777 -11.440
  393   1HG   GLU  51          2HG       GLU  51  12.993  22.612  -9.988
  394   2HG   GLU  51          3HG       GLU  51  13.626  23.319 -11.461
  395    HE1  GLU  51           HE2      GLU  51  10.357  22.078 -10.796
  396    H    ARG  52           HN       ARG  52  14.344  19.538 -12.951
  397    HA   ARG  52           HA       ARG  52  16.264  18.940 -13.753
  398   1HB   ARG  52          2HB       ARG  52  15.210  20.552 -15.911
  399   2HB   ARG  52          3HB       ARG  52  16.924  20.892 -15.783
  400   1HG   ARG  52          2HG       ARG  52  16.398  18.015 -15.513
  401   2HG   ARG  52          3HG       ARG  52  15.730  18.638 -17.008
  402   1HD   ARG  52          2HD       ARG  52  18.084  19.843 -17.251
  403   2HD   ARG  52          3HD       ARG  52  18.618  18.654 -16.081
  404    HE   ARG  52           HE       ARG  52  18.337  16.941 -17.687
  405   1HH1  ARG  52          2HH2      ARG  52  16.983  19.980 -18.903
  406   2HH1  ARG  52          1HH2      ARG  52  16.799  19.394 -20.523
  407    HH2  ARG  52           HH1      ARG  52  17.459  17.148 -21.040
  408    H    GLN  53           HN       GLN  53  17.148  19.716 -11.677
  409    HA   GLN  53           HA       GLN  53  19.231  21.569 -12.090
  410   1HB   GLN  53          2HB       GLN  53  16.725  22.609 -11.073
  411   2HB   GLN  53          3HB       GLN  53  17.932  22.711  -9.807
  412   1HG   GLN  53          2HG       GLN  53  19.416  24.028 -11.171
  413   2HG   GLN  53          3HG       GLN  53  18.543  23.640 -12.640
  414   1HE2  GLN  53          2HE2      GLN  53  17.605  27.074 -11.772
  415   2HE2  GLN  53          1HE2      GLN  53  19.002  26.183 -12.274
  416    H    ALA  54           HN       ALA  54  20.501  21.885  -9.926
  417    HA   ALA  54           HA       ALA  54  20.468  19.298  -8.588
  418   1HB   ALA  54          3HB       ALA  54  22.557  20.216  -9.632
  419   2HB   ALA  54          1HB       ALA  54  22.499  21.562  -8.470
  420   3HB   ALA  54          2HB       ALA  54  22.719  19.894  -7.890
  421    H    ASN  55           HN       ASN  55  21.245  19.554  -6.120
  422    HA   ASN  55           HA       ASN  55  20.705  20.119  -4.098
  423   1HB   ASN  55          2HB       ASN  55  20.076  22.827  -5.378
  424   2HB   ASN  55          3HB       ASN  55  20.013  22.566  -3.647
  425   1HD2  ASN  55          2HD2      ASN  55  23.366  23.237  -3.210
  426   2HD2  ASN  55          1HD2      ASN  55  21.722  23.310  -2.670
  427   1H5*    G 201          1H5*        G 201   1.131 -23.628  -2.993
  428   2H5*    G 201          2H5*        G 201   1.874 -22.071  -2.624
  429    H4*    G 201           H4*        G 201   2.936 -24.253  -1.715
  430    H3*    G 201           H3*        G 201   4.755 -22.265  -3.129
  431   1H2*    G 201          1H2*        G 201   6.402 -23.286  -1.849
  432   2HO*    G 201          2HO*        G 201   4.162 -23.957  -0.167
  433    H1*    G 201           H1*        G 201   5.163 -25.818  -1.623
  434    H8     G 201           H8         G 201   5.733 -23.602  -4.715
  435    H1     G 201           H1         G 201   9.291 -28.999  -4.435
  436   1H2     G 201          1H2         G 201   8.853 -30.024  -2.699
  437   2H2     G 201          2H2         G 201   7.693 -29.499  -1.500
  438   1H5*    G 202          1H5*        G 202   4.522 -21.496   0.822
  439   2H5*    G 202          2H5*        G 202   4.944 -20.000   1.655
  440    H4*    G 202           H4*        G 202   6.483 -21.666   2.351
  441    H3*    G 202           H3*        G 202   7.678 -19.661   0.447
  442   1H2*    G 202          1H2*        G 202   9.744 -20.714   0.597
  443   2HO*    G 202          2HO*        G 202  10.219 -21.163   2.665
  444    H1*    G 202           H1*        G 202   8.742 -23.356   0.896
  445    H8     G 202           H8         G 202   7.464 -20.948  -1.780
  446    H1     G 202           H1         G 202  11.950 -25.164  -3.778
  447   1H2     G 202          1H2         G 202  12.636 -26.254  -2.168
  448   2H2     G 202          2H2         G 202  12.080 -26.055  -0.521
  449   1H5*    A 203          1H5*        A 203  11.015 -19.012   3.766
  450   2H5*    A 203          2H5*        A 203  11.123 -17.312   3.309
  451    H4*    A 203           H4*        A 203  13.173 -18.816   2.953
  452    H3*    A 203           H3*        A 203  12.079 -16.878   0.933
  453   1H2*    A 203          1H2*        A 203  13.718 -17.477  -0.609
  454   2HO*    A 203          2HO*        A 203  15.297 -19.040   1.008
  455    H1*    A 203           H1*        A 203  13.813 -20.231   0.203
  456    H8     A 203           H8         A 203  10.548 -18.477  -0.672
  457   1H6     A 203          1H6         A 203  11.166 -21.111  -6.297
  458   2H6     A 203          2H6         A 203  10.104 -20.152  -5.289
  459    H2     A 203           H2         A 203  14.821 -22.004  -3.934
  460   1H5*    C 204          1H5*        C 204  16.115 -15.724   1.467
  461   2H5*    C 204          2H5*        C 204  16.445 -14.119   0.815
  462    H4*    C 204           H4*        C 204  17.188 -16.312  -0.447
  463    H3*    C 204           H3*        C 204  16.108 -13.792  -1.729
  464   1H2*    C 204          1H2*        C 204  16.184 -14.874  -3.729
  465   2HO*    C 204          2HO*        C 204  18.501 -14.601  -3.390
  466    H1*    C 204           H1*        C 204  16.807 -17.555  -2.782
  467   1H4     C 204          1H4         C 204  11.299 -18.323  -5.893
  468   2H4     C 204          2H4         C 204  10.467 -17.390  -4.670
  469    H5     C 204           H5         C 204  11.553 -16.321  -2.864
  470    H6     C 204           H6         C 204  13.726 -15.880  -1.779
  471   1H5*    U 205          1H5*        U 205  20.292 -12.910  -3.172
  472   2H5*    U 205          2H5*        U 205  19.964 -11.343  -3.911
  473    H4*    U 205           H4*        U 205  19.995 -13.777  -5.197
  474    H3*    U 205           H3*        U 205  18.778 -11.123  -5.990
  475   1H2*    U 205          1H2*        U 205  17.759 -12.185  -7.728
  476   2HO*    U 205          2HO*        U 205  19.225 -13.750  -8.873
  477    H1*    U 205           H1*        U 205  18.387 -14.931  -6.895
  478    H3     U 205           H3         U 205  14.117 -15.443  -8.311
  479    H5     U 205           H5         U 205  13.761 -12.985  -4.939
  480    H6     U 205           H6         U 205  16.211 -12.866  -4.889
  481   1H5*    A 206          1H5*        A 206  21.483 -11.057  -9.130
  482   2H5*    A 206          2H5*        A 206  21.723  -9.370  -9.583
  483    H4*    A 206           H4*        A 206  20.208 -10.704 -11.081
  484    H3*    A 206           H3*        A 206  18.902  -8.279  -9.786
  485   1H2*    A 206          1H2*        A 206  17.402  -8.468 -11.531
  486   2HO*    A 206          2HO*        A 206  19.761  -9.533 -12.761
  487    H1*    A 206           H1*        A 206  17.802 -11.249 -12.049
  488    H8     A 206           H8         A 206  17.087  -9.902  -8.554
  489   1H6     A 206          1H6         A 206  11.173 -11.590  -9.614
  490   2H6     A 206          2H6         A 206  12.271 -10.949  -8.412
  491    H2     A 206           H2         A 206  13.503 -12.273 -13.336
  492   1H5*    G 207          1H5*        G 207  19.993  -7.239 -13.363
  493   2H5*    G 207          2H5*        G 207  19.905  -5.585 -13.967
  494    H4*    G 207           H4*        G 207  17.986  -6.718 -14.763
  495    H3*    G 207           H3*        G 207  17.000  -5.163 -12.341
  496   1H2*    G 207          1H2*        G 207  14.979  -5.154 -13.565
  497   2HO*    G 207          2HO*        G 207  16.091  -6.247 -15.884
  498    H1*    G 207           H1*        G 207  15.319  -7.765 -14.556
  499    H8     G 207           H8         G 207  16.165  -6.820 -10.947
  500    H1     G 207           H1         G 207  10.376  -9.584 -11.801
  501   1H2     G 207          1H2         G 207  10.042  -9.875 -13.815
  502   2H2     G 207          2H2         G 207  11.164  -9.435 -15.084
  503   1H5*    C 208          1H5*        C 208  17.471  -2.310 -15.600
  504   2H5*    C 208          2H5*        C 208  17.298  -0.576 -15.329
  505    H4*    C 208           H4*        C 208  15.404  -1.674 -16.550
  506    H3*    C 208           H3*        C 208  14.886  -0.134 -14.002
  507   1H2*    C 208          1H2*        C 208  12.654  -0.609 -14.196
  508   2HO*    C 208          2HO*        C 208  12.794   0.603 -16.207
  509    H1*    C 208           H1*        C 208  12.755  -2.879 -15.896
  510   1H4     C 208          1H4         C 208  11.403  -5.461 -10.238
  511   2H4     C 208          2H4         C 208  12.974  -4.995  -9.626
  512    H5     C 208           H5         C 208  14.548  -3.739 -10.859
  513    H6     C 208           H6         C 208  15.006  -2.608 -13.007
  514   1H5*    G 209          1H5*        G 209  13.567   3.090 -12.746
  515   2H5*    G 209          2H5*        G 209  14.015   1.429 -13.132
  516    H4*    G 209           H4*        G 209  11.921   1.743 -14.813
  517    H3*    G 209           H3*        G 209  11.553   3.842 -12.756
  518   1H2*    G 209          1H2*        G 209   9.877   2.676 -11.735
  519   2HO*    G 209          2HO*        G 209   8.264   2.231 -13.823
  520    H1*    G 209           H1*        G 209   9.351   0.470 -13.471
  521    H8     G 209           H8         G 209  12.709   0.923 -11.721
  522    H1     G 209           H1         G 209   8.554  -3.018  -8.707
  523   1H2     G 209          1H2         G 209   6.741  -2.986  -9.687
  524   2H2     G 209          2H2         G 209   6.396  -2.034 -11.112
  525   1H5*    G 210          1H5*        G 210  10.351   6.640 -12.102
  526   2H5*    G 210          2H5*        G 210  10.259   4.974 -11.531
  527    H4*    G 210           H4*        G 210   8.330   5.319 -10.454
  528    H3*    G 210           H3*        G 210   7.417   6.533 -12.989
  529   1H2*    G 210          1H2*        G 210   6.792   8.439 -11.849
  530   2HO*    G 210          2HO*        G 210   4.697   7.933 -10.931
  531    H1*    G 210           H1*        G 210   6.524   7.543  -9.118
  532    H8     G 210           H8         G 210   9.654   8.272 -11.226
  533    H1     G 210           H1         G 210   8.358  12.559  -6.554
  534   1H2     G 210          1H2         G 210   6.615  12.023  -5.590
  535   2H2     G 210          2H2         G 210   5.649  10.619  -5.989
  536   1H5*    A 211          1H5*        A 211   7.777   3.462 -11.179
  537   2H5*    A 211          2H5*        A 211   7.739   1.721 -11.448
  538    H4*    A 211           H4*        A 211   6.573   1.839  -9.496
  539    H3*    A 211           H3*        A 211   4.659   1.879 -11.754
  540   1H2*    A 211          1H2*        A 211   3.540   3.504 -10.422
  541   2HO*    A 211          2HO*        A 211   1.887   2.124  -9.616
  542    H1*    A 211           H1*        A 211   4.307   1.909  -7.938
  543    H8     A 211           H8         A 211   4.816   5.524  -9.114
  544   1H6     A 211          1H6         A 211   1.670   7.114  -3.963
  545   2H6     A 211          2H6         A 211   2.525   7.744  -5.353
  546    H2     A 211           H2         A 211   1.791   2.678  -4.205
  547   1H5*    G 212          1H5*        G 212   4.025  -3.246 -10.883
  548   2H5*    G 212          2H5*        G 212   2.629  -3.475  -9.830
  549    H4*    G 212           H4*        G 212   4.949  -4.185  -8.982
  550    H3*    G 212           H3*        G 212   3.007  -2.534  -7.359
  551   1H2*    G 212          1H2*        G 212   4.456  -2.687  -5.534
  552   2HO*    G 212          2HO*        G 212   5.435  -4.629  -5.327
  553    H1*    G 212           H1*        G 212   6.795  -2.662  -7.278
  554    H8     G 212           H8         G 212   3.949  -0.223  -6.414
  555    H1     G 212           H1         G 212   9.914   1.762  -4.879
  556   1H2     G 212          1H2         G 212  11.283   0.325  -5.437
  557   2H2     G 212          2H2         G 212  10.876  -1.193  -6.206
  558   1H5*    G 213          1H5*        G 213   3.214  -7.011  -8.851
  559   2H5*    G 213          2H5*        G 213   3.495  -5.388  -9.482
  560    H4*    G 213           H4*        G 213   1.444  -6.799 -10.994
  561    H3*    G 213           H3*        G 213   3.708  -8.435 -10.285
  562   1H2*    G 213          1H2*        G 213   4.913  -8.437 -12.248
  563   2HO*    G 213          2HO*        G 213   3.622  -8.071 -14.239
  564    H1*    G 213           H1*        G 213   4.314  -5.908 -13.241
  565    H8     G 213           H8         G 213   5.072  -6.767  -9.572
  566    H1     G 213           H1         G 213   9.812  -3.750 -12.785
  567   1H2     G 213          1H2         G 213   9.229  -3.436 -14.738
  568   2H2     G 213          2H2         G 213   7.686  -3.920 -15.406
  569   1H5*    C 214          1H5*        C 214   1.924 -10.099 -13.454
  570   2H5*    C 214          2H5*        C 214   1.688 -11.831 -13.684
  571    H4*    C 214           H4*        C 214   3.195 -11.137 -15.357
  572    H3*    C 214           H3*        C 214   4.651 -12.535 -13.105
  573   1H2*    C 214          1H2*        C 214   6.599 -12.491 -14.416
  574   2HO*    C 214          2HO*        C 214   4.733 -11.745 -16.479
  575    H1*    C 214           H1*        C 214   6.325  -9.906 -15.354
  576   1H4     C 214          1H4         C 214   9.581  -8.815 -10.005
  577   2H4     C 214          2H4         C 214   8.283  -9.477  -9.037
  578    H5     C 214           H5         C 214   6.304 -10.395  -9.942
  579    H6     C 214           H6         C 214   5.071 -10.908 -12.019
  580   1H5*    U 215          1H5*        U 215   5.207 -14.411 -16.288
  581   2H5*    U 215          2H5*        U 215   5.524 -16.131 -16.519
  582    H4*    U 215           H4*        U 215   7.530 -14.830 -16.906
  583    H3*    U 215           H3*        U 215   7.742 -16.408 -14.313
  584   1H2*    U 215          1H2*        U 215   9.992 -15.952 -14.456
  585   2HO*    U 215          2HO*        U 215  10.743 -15.663 -16.825
  586    H1*    U 215           H1*        U 215   9.981 -13.634 -16.002
  587    H3     U 215           H3         U 215  11.151 -11.663 -12.154
  588    H5     U 215           H5         U 215   7.353 -13.195 -11.276
  589    H6     U 215           H6         U 215   7.358 -14.213 -13.507
  590   1H5*    A 216          1H5*        A 216   9.581 -18.210 -17.249
  591   2H5*    A 216          2H5*        A 216  10.025 -19.907 -17.426
  592    H4*    A 216           H4*        A 216  11.997 -18.547 -17.095
  593    H3*    A 216           H3*        A 216  11.289 -20.529 -14.970
  594   1H2*    A 216          1H2*        A 216  12.928 -19.770 -13.537
  595   2HO*    A 216          2HO*        A 216  14.098 -18.742 -15.962
  596    H1*    A 216           H1*        A 216  12.986 -17.073 -14.655
  597    H8     A 216           H8         A 216   9.866 -18.526 -13.068
  598   1H6     A 216          1H6         A 216  11.604 -15.513  -7.886
  599   2H6     A 216          2H6         A 216  10.326 -16.457  -8.614
  600    H2     A 216           H2         A 216  14.858 -15.112 -10.885
  601   1H5*    G 217          1H5*        G 217  14.948 -21.032 -16.141
  602   2H5*    G 217          2H5*        G 217  15.936 -22.490 -16.055
  603    H4*    G 217           H4*        G 217  16.651 -21.197 -14.254
  604    H3*    G 217           H3*        G 217  14.564 -23.065 -13.067
  605   1H2*    G 217          1H2*        G 217  15.645 -22.591 -11.027
  606   2HO*    G 217          2HO*        G 217  17.815 -21.386 -11.411
  607    H1*    G 217           H1*        G 217  16.145 -19.871 -11.758
  608    H8     G 217           H8         G 217  12.724 -21.506 -12.157
  609    H1     G 217           H1         G 217  13.505 -18.067  -6.732
  610   1H2     G 217          1H2         G 217  15.461 -17.426  -6.598
  611   2H2     G 217          2H2         G 217  16.703 -17.769  -7.780
  612   1H5*    U 218          1H5*        U 218  18.275 -24.115 -12.161
  613   2H5*    U 218          2H5*        U 218  18.834 -25.786 -12.079
  614    H4*    U 218           H4*        U 218  19.464 -24.937 -10.026
  615    H3*    U 218           H3*        U 218  16.866 -26.405  -9.772
  616   1H2*    U 218          1H2*        U 218  16.635 -25.808  -7.530
  617   2HO*    U 218          2HO*        U 218  18.517 -25.883  -6.443
  618    H1*    U 218           H1*        U 218  17.843 -23.207  -7.924
  619    H3     U 218           H3         U 218  13.904 -21.963  -6.111
  620    H5     U 218           H5         U 218  12.789 -23.670  -9.769
  621    H6     U 218           H6         U 218  15.135 -24.323 -10.066
  622   1H5*    C 219          1H5*        C 219  19.299 -27.737  -6.529
  623   2H5*    C 219          2H5*        C 219  19.283 -29.499  -6.478
  624    H4*    C 219           H4*        C 219  18.690 -28.802  -4.319
  625    H3*    C 219           H3*        C 219  16.420 -29.849  -5.923
  626   1H2*    C 219          1H2*        C 219  14.788 -29.178  -4.405
  627   2HO*    C 219          2HO*        C 219  17.022 -28.761  -2.634
  628    H1*    C 219           H1*        C 219  16.250 -26.778  -3.664
  629   1H4     C 219          1H4         C 219  11.113 -24.487  -6.655
  630   2H4     C 219          2H4         C 219  11.661 -25.185  -8.161
  631    H5     C 219           H5         C 219  13.586 -26.538  -8.361
  632    H6     C 219           H6         C 219  15.478 -27.565  -7.151
  633   1H5*    C 220          1H5*        C 220  16.064 -32.626  -2.387
  634   2H5*    C 220          2H5*        C 220  16.412 -34.196  -3.110
  635    H4*    C 220           H4*        C 220  14.392 -34.538  -2.029
  636    H3*    C 220           H3*        C 220  14.052 -34.151  -4.946
  637   1H2*    C 220          1H2*        C 220  11.702 -34.015  -4.843
  638   2HO*    C 220          2HO*        C 220  11.586 -35.716  -3.288
  639    H1*    C 220           H1*        C 220  11.750 -32.320  -2.543
  640   1H4     C 220          1H4         C 220  10.488 -28.172  -7.195
  641   2H4     C 220          2H4         C 220  12.000 -28.555  -7.988
  642    H5     C 220           H5         C 220  13.511 -30.197  -7.216
  643    H6     C 220           H6         C 220  13.948 -31.895  -5.477
   
  No H/Q in entry =         643
  Start of MODEL   13
    1    H    MET   1           HN       MET   1  -4.023 -10.216   0.837
    2    HA   MET   1           HA       MET   1  -2.888 -10.958  -0.921
    3   1HB   MET   1          2HB       MET   1  -2.644  -7.919  -0.896
    4   2HB   MET   1          3HB       MET   1  -2.012  -8.826  -2.256
    5   1HG   MET   1          2HG       MET   1  -4.826  -9.425  -1.331
    6   2HG   MET   1          3HG       MET   1  -4.549  -7.945  -2.226
    7   1HE   MET   1          2HE       MET   1  -6.329  -9.005  -3.404
    8   2HE   MET   1          3HE       MET   1  -5.764  -9.076  -5.090
    9   3HE   MET   1          1HE       MET   1  -6.287 -10.563  -4.264
   10    H    GLN   2           HN       GLN   2  -1.038 -12.152  -0.990
   11    HA   GLN   2           HA       GLN   2   1.121 -11.862   0.510
   12   1HB   GLN   2          2HB       GLN   2   1.016 -12.837  -2.377
   13   2HB   GLN   2          3HB       GLN   2   2.387 -13.099  -1.318
   14   1HG   GLN   2          2HG       GLN   2  -0.361 -13.897  -0.342
   15   2HG   GLN   2          3HG       GLN   2   0.436 -14.917  -1.523
   16   1HE2  GLN   2          2HE2      GLN   2   1.715 -16.593   1.289
   17   2HE2  GLN   2          1HE2      GLN   2   0.518 -16.567   0.036
   18    H    LYS   3           HN       LYS   3   3.424 -11.173   0.003
   19    HA   LYS   3           HA       LYS   3   3.620  -9.035  -1.942
   20   1HB   LYS   3          2HB       LYS   3   2.798  -8.206   0.431
   21   2HB   LYS   3          3HB       LYS   3   4.490  -8.377   0.852
   22   1HG   LYS   3          2HG       LYS   3   5.048  -6.982  -1.228
   23   2HG   LYS   3          3HG       LYS   3   3.331  -6.676  -1.402
   24   1HD   LYS   3          2HD       LYS   3   4.562  -6.155   1.298
   25   2HD   LYS   3          3HD       LYS   3   4.947  -5.033   0.008
   26   1HE   LYS   3          2HE       LYS   3   2.658  -4.411  -0.303
   27   2HE   LYS   3          3HE       LYS   3   2.062  -5.826   0.540
   28   1HZ   LYS   3          1HZ       LYS   3   3.760  -4.000   2.071
   29   2HZ   LYS   3          2HZ       LYS   3   2.249  -3.490   1.738
   30    H    GLY   4           HN       GLY   4   4.714 -11.450  -2.343
   31   1HA   GLY   4          1HA       GLY   4   7.166 -11.990  -1.107
   32   2HA   GLY   4          2HA       GLY   4   6.650 -12.533  -2.691
   33    H    ASN   5           HN       ASN   5   6.231  -9.743  -3.733
   34    HA   ASN   5           HA       ASN   5   8.721  -9.393  -4.836
   35   1HB   ASN   5          2HB       ASN   5   6.123  -7.985  -4.810
   36   2HB   ASN   5          3HB       ASN   5   7.461  -6.862  -4.952
   37   1HD2  ASN   5          2HD2      ASN   5   6.578  -7.707  -8.384
   38   2HD2  ASN   5          1HD2      ASN   5   5.950  -6.838  -7.024
   39    H    PHE   6           HN       PHE   6   7.508  -8.613  -1.696
   40    HA   PHE   6           HA       PHE   6   8.691  -6.200  -1.108
   41   1HB   PHE   6          2HB       PHE   6   7.136  -7.386   0.394
   42   2HB   PHE   6          3HB       PHE   6   8.177  -8.795   0.448
   43    HD1  PHE   6           HD1      PHE   6  10.519  -8.461   1.519
   44    HD2  PHE   6           HD2      PHE   6   7.274  -5.783   2.075
   45    HE1  PHE   6           HE1      PHE   6  11.602  -7.582   3.605
   46    HE2  PHE   6           HE2      PHE   6   8.358  -4.904   4.161
   47    HZ   PHE   6           HZ       PHE   6  10.509  -5.813   4.901
   48    H    ARG   7           HN       ARG   7  10.139  -9.399  -1.564
   49    HA   ARG   7           HA       ARG   7  12.404  -9.118  -0.087
   50   1HB   ARG   7          2HB       ARG   7  13.427 -10.732  -1.735
   51   2HB   ARG   7          3HB       ARG   7  11.828 -11.221  -1.209
   52   1HG   ARG   7          2HG       ARG   7  10.971  -9.914  -3.325
   53   2HG   ARG   7          3HG       ARG   7  12.636  -9.992  -3.867
   54   1HD   ARG   7          2HD       ARG   7  12.400 -12.165  -4.493
   55   2HD   ARG   7          3HD       ARG   7  11.825 -12.617  -2.901
   56    HE   ARG   7           HE       ARG   7   9.645 -12.601  -3.731
   57   1HH1  ARG   7          2HH2      ARG   7  11.663 -10.621  -5.868
   58   2HH1  ARG   7          1HH2      ARG   7  10.398 -10.354  -7.021
   59    HH2  ARG   7           HH1      ARG   7   8.239 -11.321  -6.639
   60    H    ASN   8           HN       ASN   8  11.349  -7.247  -2.783
   61    HA   ASN   8           HA       ASN   8  13.664  -6.735  -4.131
   62   1HB   ASN   8          2HB       ASN   8  12.568  -4.542  -4.734
   63   2HB   ASN   8          3HB       ASN   8  11.477  -5.903  -4.899
   64   1HD2  ASN   8          2HD2      ASN   8  10.046  -2.901  -2.987
   65   2HD2  ASN   8          1HD2      ASN   8  11.040  -3.013  -4.401
   66    H    GLN   9           HN       GLN   9  12.749  -5.994  -0.860
   67    HA   GLN   9           HA       GLN   9  14.014  -3.576  -0.473
   68   1HB   GLN   9          2HB       GLN   9  13.572  -5.897   1.457
   69   2HB   GLN   9          3HB       GLN   9  14.085  -4.296   1.953
   70   1HG   GLN   9          2HG       GLN   9  11.712  -4.236   0.184
   71   2HG   GLN   9          3HG       GLN   9  11.436  -5.148   1.654
   72   1HE2  GLN   9          2HE2      GLN   9  11.684  -2.442   3.900
   73   2HE2  GLN   9          1HE2      GLN   9  11.807  -4.158   3.694
   74    H    ARG  10           HN       ARG  10  15.334  -6.636  -1.295
   75    HA   ARG  10           HA       ARG  10  17.773  -6.282   0.118
   76   1HB   ARG  10          2HB       ARG  10  18.479  -8.336  -1.014
   77   2HB   ARG  10          3HB       ARG  10  16.821  -8.542  -0.484
   78   1HG   ARG  10          2HG       ARG  10  16.099  -8.843  -2.614
   79   2HG   ARG  10          3HG       ARG  10  16.846  -7.348  -3.141
   80   1HD   ARG  10          2HD       ARG  10  18.380  -9.966  -2.773
   81   2HD   ARG  10          3HD       ARG  10  17.726  -9.432  -4.308
   82    HE   ARG  10           HE       ARG  10  19.294  -7.593  -4.332
   83   1HH1  ARG  10          2HH2      ARG  10  19.718  -9.735  -1.542
   84   2HH1  ARG  10          1HH2      ARG  10  21.312  -9.159  -1.184
   85    HH2  ARG  10           HH1      ARG  10  22.279  -7.452  -2.561
   86    H    LYS  11           HN       LYS  11  16.497  -4.500  -2.283
   87    HA   LYS  11           HA       LYS  11  19.107  -4.100  -3.555
   88   1HB   LYS  11          2HB       LYS  11  17.852  -5.342  -5.169
   89   2HB   LYS  11          3HB       LYS  11  16.421  -4.360  -4.925
   90   1HG   LYS  11          2HG       LYS  11  17.340  -2.492  -6.048
   91   2HG   LYS  11          3HG       LYS  11  18.992  -3.013  -5.785
   92   1HD   LYS  11          2HD       LYS  11  17.217  -4.806  -7.432
   93   2HD   LYS  11          3HD       LYS  11  17.758  -3.310  -8.168
   94   1HE   LYS  11          2HE       LYS  11  19.642  -4.478  -8.721
   95   2HE   LYS  11          3HE       LYS  11  20.117  -4.229  -7.053
   96   1HZ   LYS  11          1HZ       LYS  11  18.653  -6.385  -6.721
   97   2HZ   LYS  11          2HZ       LYS  11  19.016  -6.646  -8.287
   98    H    THR  12           HN       THR  12  18.056  -2.791  -1.228
   99    HA   THR  12           HA       THR  12  17.264  -0.794  -0.483
  100    HB   THR  12           HB       THR  12  19.813  -0.744  -1.206
  101    HG1  THR  12           HG1      THR  12  19.626   1.652  -0.651
  102   1HG2  THR  12          2HG2      THR  12  18.869   0.041  -3.643
  103   2HG2  THR  12          3HG2      THR  12  18.943   1.627  -2.837
  104   3HG2  THR  12          1HG2      THR  12  20.413   0.635  -2.985
  105    H    VAL  13           HN       VAL  13  15.357  -1.689  -2.240
  106    HA   VAL  13           HA       VAL  13  14.744  -0.289  -4.449
  107    HB   VAL  13           HB       VAL  13  12.347  -0.553  -3.704
  108   1HG1  VAL  13          1HG1      VAL  13  14.385  -2.620  -4.137
  109   2HG1  VAL  13          2HG1      VAL  13  12.937  -3.221  -3.294
  110   3HG1  VAL  13          3HG1      VAL  13  12.778  -2.420  -4.874
  111   1HG2  VAL  13          1HG2      VAL  13  13.682  -1.728  -1.243
  112   2HG2  VAL  13          2HG2      VAL  13  12.626  -0.297  -1.305
  113   3HG2  VAL  13          3HG2      VAL  13  11.962  -1.910  -1.660
  114    H    LYS  14           HN       LYS  14  13.441   1.634  -4.908
  115    HA   LYS  14           HA       LYS  14  13.917   3.691  -2.872
  116   1HB   LYS  14          2HB       LYS  14  14.314   5.214  -4.547
  117   2HB   LYS  14          3HB       LYS  14  14.966   3.754  -5.263
  118   1HG   LYS  14          2HG       LYS  14  13.617   4.256  -7.038
  119   2HG   LYS  14          3HG       LYS  14  12.332   3.575  -6.061
  120   1HD   LYS  14          2HD       LYS  14  11.590   5.756  -6.824
  121   2HD   LYS  14          3HD       LYS  14  11.894   5.876  -5.102
  122   1HE   LYS  14          2HE       LYS  14  14.361   6.451  -6.518
  123   2HE   LYS  14          3HE       LYS  14  13.079   7.419  -7.216
  124   1HZ   LYS  14          1HZ       LYS  14  14.380   7.967  -4.873
  125   2HZ   LYS  14          2HZ       LYS  14  12.997   8.673  -5.361
  126    H    CYS  15           HN       CYS  15  12.232   5.004  -2.151
  127    HA   CYS  15           HA       CYS  15   9.636   3.862  -2.511
  128   1HB   CYS  15          2HB       CYS  15  10.401   4.669  -0.305
  129   2HB   CYS  15          3HB       CYS  15  10.506   6.303  -0.928
  130    H    PHE  16           HN       PHE  16   8.439   4.358  -4.318
  131    HA   PHE  16           HA       PHE  16   9.070   6.642  -5.888
  132   1HB   PHE  16          2HB       PHE  16   7.042   4.371  -5.811
  133   2HB   PHE  16          3HB       PHE  16   6.723   5.712  -6.893
  134    HD1  PHE  16           HD1      PHE  16   9.345   6.381  -7.954
  135    HD2  PHE  16           HD2      PHE  16   7.679   2.570  -7.110
  136    HE1  PHE  16           HE1      PHE  16  10.843   5.343  -9.680
  137    HE2  PHE  16           HE2      PHE  16   9.178   1.533  -8.835
  138    HZ   PHE  16           HZ       PHE  16  10.741   2.932 -10.100
  139    H    ASN  17           HN       ASN  17   7.696   6.601  -2.939
  140    HA   ASN  17           HA       ASN  17   5.498   8.350  -3.650
  141   1HB   ASN  17          2HB       ASN  17   5.401   6.367  -1.897
  142   2HB   ASN  17          3HB       ASN  17   6.230   7.477  -0.824
  143   1HD2  ASN  17          2HD2      ASN  17   3.093   8.537   0.254
  144   2HD2  ASN  17          1HD2      ASN  17   4.574   7.706   0.598
  145    H    CYS  18           HN       CYS  18   8.092   8.132  -1.083
  146    HA   CYS  18           HA       CYS  18   8.118  11.006  -0.887
  147   1HB   CYS  18          2HB       CYS  18   9.689  10.634   0.982
  148   2HB   CYS  18          3HB       CYS  18   8.192   9.746   1.181
  149    H    GLY  19           HN       GLY  19  10.173   8.244  -1.963
  150   1HA   GLY  19          1HA       GLY  19  11.593   8.452  -3.833
  151   2HA   GLY  19          2HA       GLY  19  11.816  10.155  -3.483
  152    H    LYS  20           HN       LYS  20  11.876   7.629  -0.949
  153    HA   LYS  20           HA       LYS  20  14.754   8.151  -0.669
  154   1HB   LYS  20          2HB       LYS  20  12.576   8.397   1.209
  155   2HB   LYS  20          3HB       LYS  20  13.702   7.179   1.773
  156   1HG   LYS  20          2HG       LYS  20  15.390   8.701   2.122
  157   2HG   LYS  20          3HG       LYS  20  15.016   9.608   0.669
  158   1HD   LYS  20          2HD       LYS  20  13.062  10.656   1.809
  159   2HD   LYS  20          3HD       LYS  20  13.393   9.725   3.256
  160   1HE   LYS  20          2HE       LYS  20  15.846  11.036   2.517
  161   2HE   LYS  20          3HE       LYS  20  14.571  12.236   2.421
  162   1HZ   LYS  20          1HZ       LYS  20  14.808  10.469   4.783
  163   2HZ   LYS  20          2HZ       LYS  20  15.647  11.862   4.691
  164    H    GLU  21           HN       GLU  21  16.147   6.386  -0.324
  165    HA   GLU  21           HA       GLU  21  15.034   3.920  -1.272
  166   1HB   GLU  21          2HB       GLU  21  17.782   5.069  -0.909
  167   2HB   GLU  21          3HB       GLU  21  17.646   3.323  -0.863
  168   1HG   GLU  21          2HG       GLU  21  17.210   3.175  -3.103
  169   2HG   GLU  21          3HG       GLU  21  16.081   4.514  -3.068
  170    HE1  GLU  21           HE2      GLU  21  18.650   6.916  -3.411
  171    H    GLY  22           HN       GLY  22  14.971   1.938  -0.114
  172   1HA   GLY  22          1HA       GLY  22  15.888   0.807   1.915
  173   2HA   GLY  22          2HA       GLY  22  15.384   2.232   2.802
  174    H    HIS  23           HN       HIS  23  12.930   2.595   1.039
  175    HA   HIS  23           HA       HIS  23  11.417   0.208   1.651
  176   1HB   HIS  23          2HB       HIS  23   9.835   1.218   3.055
  177   2HB   HIS  23          3HB       HIS  23  11.392   1.707   3.693
  178    HD1  HIS  23           HD1      HIS  23  12.009   4.221   3.599
  179    HD2  HIS  23           HD2      HIS  23   8.305   3.310   1.853
  180    HE1  HIS  23           HE1      HIS  23  10.830   6.452   3.217
  181    H    ILE  24           HN       ILE  24   9.236   0.260   0.600
  182    HA   ILE  24           HA       ILE  24   9.359   1.984  -1.772
  183    HB   ILE  24           HB       ILE  24   8.204   0.293  -2.962
  184   1HG1  ILE  24          2HG1      ILE  24   7.968  -1.293  -0.388
  185   2HG1  ILE  24          3HG1      ILE  24   6.668  -0.361  -1.103
  186   1HG2  ILE  24          1HG2      ILE  24  10.755  -0.014  -1.981
  187   2HG2  ILE  24          2HG2      ILE  24  10.001  -1.581  -1.602
  188   3HG2  ILE  24          3HG2      ILE  24  10.012  -0.981  -3.278
  189   1HD1  ILE  24          1HD1      ILE  24   8.145  -2.661  -2.467
  190   2HD1  ILE  24          2HD1      ILE  24   6.513  -2.744  -1.762
  191   3HD1  ILE  24          3HD1      ILE  24   6.815  -1.719  -3.184
  192    H    ALA  25           HN       ALA  25   7.221   2.713  -2.642
  193    HA   ALA  25           HA       ALA  25   5.821   4.164  -0.810
  194   1HB   ALA  25          3HB       ALA  25   5.867   4.116  -3.446
  195   2HB   ALA  25          1HB       ALA  25   4.448   3.058  -3.255
  196   3HB   ALA  25          2HB       ALA  25   4.422   4.710  -2.593
  197    H    LYS  26           HN       LYS  26   5.353   0.764  -1.836
  198    HA   LYS  26           HA       LYS  26   2.835   0.392  -0.710
  199   1HB   LYS  26          2HB       LYS  26   5.047  -1.659  -1.016
  200   2HB   LYS  26          3HB       LYS  26   3.328  -1.975  -0.882
  201   1HG   LYS  26          2HG       LYS  26   4.147  -0.080  -3.056
  202   2HG   LYS  26          3HG       LYS  26   4.636  -1.749  -3.271
  203   1HD   LYS  26          2HD       LYS  26   1.886  -1.707  -2.352
  204   2HD   LYS  26          3HD       LYS  26   2.038  -0.599  -3.702
  205   1HE   LYS  26          2HE       LYS  26   2.890  -2.323  -5.160
  206   2HE   LYS  26          3HE       LYS  26   3.197  -3.413  -3.823
  207   1HZ   LYS  26          1HZ       LYS  26   1.058  -3.746  -5.196
  208   2HZ   LYS  26          2HZ       LYS  26   0.917  -3.836  -3.577
  209    H    ASN  27           HN       ASN  27   6.156   0.046   0.671
  210    HA   ASN  27           HA       ASN  27   4.962  -0.545   3.224
  211   1HB   ASN  27          2HB       ASN  27   7.838  -0.431   2.198
  212   2HB   ASN  27          3HB       ASN  27   7.484  -0.633   3.902
  213   1HD2  ASN  27          2HD2      ASN  27   6.409  -3.583   1.182
  214   2HD2  ASN  27          1HD2      ASN  27   6.487  -1.914   0.731
  215    H    CYS  28           HN       CYS  28   5.194   2.185   1.518
  216    HA   CYS  28           HA       CYS  28   6.676   3.835   3.337
  217   1HB   CYS  28          2HB       CYS  28   6.669   4.281   0.901
  218   2HB   CYS  28          3HB       CYS  28   4.947   4.603   0.961
  219    H    ARG  29           HN       ARG  29   5.802   4.835   5.131
  220    HA   ARG  29           HA       ARG  29   3.130   4.271   5.786
  221   1HB   ARG  29          2HB       ARG  29   3.614   5.623   7.833
  222   2HB   ARG  29          3HB       ARG  29   4.885   4.458   7.518
  223   1HG   ARG  29          2HG       ARG  29   5.239   7.149   6.249
  224   2HG   ARG  29          3HG       ARG  29   5.354   7.109   7.997
  225   1HD   ARG  29          2HD       ARG  29   6.864   4.873   7.196
  226   2HD   ARG  29          3HD       ARG  29   7.242   6.075   5.978
  227    HE   ARG  29           HE       ARG  29   7.329   7.109   8.726
  228   1HH1  ARG  29          2HH2      ARG  29   9.191   5.566   6.137
  229   2HH1  ARG  29          1HH2      ARG  29  10.722   6.089   6.756
  230    HH2  ARG  29           HH1      ARG  29  10.791   7.401   8.761
  231    H    ALA  30           HN       ALA  30   4.798   6.871   4.119
  232    HA   ALA  30           HA       ALA  30   3.044   8.981   4.683
  233   1HB   ALA  30          2HB       ALA  30   5.399   8.533   3.214
  234   2HB   ALA  30          3HB       ALA  30   4.200   9.057   2.006
  235   3HB   ALA  30          1HB       ALA  30   4.546  10.083   3.419
  236    HA   PRO  31           HA       PRO  31  -0.380   8.015   2.226
  237   1HB   PRO  31          2HB       PRO  31  -1.367  10.488   1.612
  238   2HB   PRO  31          3HB       PRO  31  -1.633   9.706   3.159
  239   1HG   PRO  31          2HG       PRO  31   0.193  11.936   2.498
  240   2HG   PRO  31          3HG       PRO  31  -0.399  11.430   4.067
  241   1HD   PRO  31          2HD       PRO  31   2.208  10.939   2.976
  242   2HD   PRO  31          3HD       PRO  31   1.577  10.335   4.495
  243    H    ARG  32           HN       ARG  32  -1.269   7.735   0.140
  244    HA   ARG  32           HA       ARG  32   0.668   7.665  -1.784
  245   1HB   ARG  32          2HB       ARG  32  -2.309   7.954  -2.390
  246   2HB   ARG  32          3HB       ARG  32  -1.114   7.072  -3.320
  247   1HG   ARG  32          2HG       ARG  32  -2.196   6.353  -0.561
  248   2HG   ARG  32          3HG       ARG  32  -2.412   5.453  -2.048
  249   1HD   ARG  32          2HD       ARG  32   0.380   5.982  -0.964
  250   2HD   ARG  32          3HD       ARG  32  -0.578   4.653  -0.341
  251    HE   ARG  32           HE       ARG  32   0.786   4.702  -2.865
  252   1HH1  ARG  32          2HH2      ARG  32  -2.268   3.607  -1.442
  253   2HH1  ARG  32          1HH2      ARG  32  -2.493   2.336  -2.597
  254    HH2  ARG  32           HH1      ARG  32  -0.860   2.012  -4.320
  255    H    LYS  33           HN       LYS  33   1.743   9.428  -2.633
  256    HA   LYS  33           HA       LYS  33   0.080  11.665  -3.528
  257   1HB   LYS  33          2HB       LYS  33   1.716  13.266  -2.702
  258   2HB   LYS  33          3HB       LYS  33   1.065  12.313  -1.385
  259   1HG   LYS  33          2HG       LYS  33   3.136  11.579  -0.830
  260   2HG   LYS  33          3HG       LYS  33   3.375  10.929  -2.440
  261   1HD   LYS  33          2HD       LYS  33   4.971  12.522  -2.724
  262   2HD   LYS  33          3HD       LYS  33   3.665  13.684  -2.841
  263   1HE   LYS  33          2HE       LYS  33   3.883  13.411  -0.094
  264   2HE   LYS  33          3HE       LYS  33   5.548  13.176  -0.589
  265   1HZ   LYS  33          1HZ       LYS  33   5.539  15.438  -0.585
  266   2HZ   LYS  33          2HZ       LYS  33   4.878  15.306  -2.068
  267    H    LYS  34           HN       LYS  34   1.893  13.203  -4.829
  268    HA   LYS  34           HA       LYS  34   3.582  11.467  -6.417
  269   1HB   LYS  34          2HB       LYS  34   2.571  12.102  -8.535
  270   2HB   LYS  34          3HB       LYS  34   1.409  11.266  -7.526
  271   1HG   LYS  34          2HG       LYS  34   0.880  13.814  -6.736
  272   2HG   LYS  34          3HG       LYS  34   1.484  14.155  -8.346
  273   1HD   LYS  34          2HD       LYS  34  -0.213  12.834  -9.396
  274   2HD   LYS  34          3HD       LYS  34  -0.607  11.993  -7.911
  275   1HE   LYS  34          2HE       LYS  34  -1.876  13.764  -7.067
  276   2HE   LYS  34          3HE       LYS  34  -0.939  14.984  -7.907
  277   1HZ   LYS  34          1HZ       LYS  34  -2.568  13.107  -9.487
  278   2HZ   LYS  34          2HZ       LYS  34  -3.297  14.378  -8.775
  279    H    GLY  35           HN       GLY  35   4.607  13.151  -4.628
  280   1HA   GLY  35          1HA       GLY  35   5.024  15.754  -5.905
  281   2HA   GLY  35          2HA       GLY  35   5.468  15.285  -4.276
  282    H    CYS  36           HN       CYS  36   6.791  16.141  -7.159
  283    HA   CYS  36           HA       CYS  36   8.648  14.179  -7.735
  284   1HB   CYS  36          2HB       CYS  36   8.304  15.924  -9.313
  285   2HB   CYS  36          3HB       CYS  36   8.670  17.176  -8.143
  286    H    TRP  37           HN       TRP  37  10.260  13.360  -6.446
  287    HA   TRP  37           HA       TRP  37  11.001  14.796  -4.061
  288   1HB   TRP  37          2HB       TRP  37  12.562  12.428  -4.604
  289   2HB   TRP  37          3HB       TRP  37  11.498  12.795  -3.261
  290    HD1  TRP  37           HD1      TRP  37   8.764  12.213  -3.755
  291    HE1  TRP  37           HE1      TRP  37   7.618  10.258  -5.107
  292    HE3  TRP  37           HE3      TRP  37  12.868  11.001  -6.502
  293    HZ2  TRP  37           HZ2      TRP  37   8.535   8.464  -7.128
  294    HZ3  TRP  37           HZ3      TRP  37  12.658   9.135  -8.142
  295    HH2  TRP  37           HH2      TRP  37  10.586   7.883  -8.478
  296    H    LYS  38           HN       LYS  38  11.586  16.204  -6.503
  297    HA   LYS  38           HA       LYS  38  14.510  16.175  -6.341
  298   1HB   LYS  38          2HB       LYS  38  13.122  15.225  -8.537
  299   2HB   LYS  38          3HB       LYS  38  13.451  16.886  -8.985
  300   1HG   LYS  38          2HG       LYS  38  15.691  15.283  -7.752
  301   2HG   LYS  38          3HG       LYS  38  15.247  14.934  -9.412
  302   1HD   LYS  38          2HD       LYS  38  16.132  16.896 -10.192
  303   2HD   LYS  38          3HD       LYS  38  15.456  17.836  -8.878
  304   1HE   LYS  38          2HE       LYS  38  17.271  16.999  -7.357
  305   2HE   LYS  38          3HE       LYS  38  17.954  16.083  -8.685
  306   1HZ   LYS  38          1HZ       LYS  38  18.349  18.149  -9.875
  307   2HZ   LYS  38          2HZ       LYS  38  17.610  19.035  -8.724
  308    H    CYS  39           HN       CYS  39  11.528  17.953  -7.375
  309    HA   CYS  39           HA       CYS  39  12.944  20.414  -6.666
  310   1HB   CYS  39          2HB       CYS  39  11.185  21.553  -8.057
  311   2HB   CYS  39          3HB       CYS  39  12.284  20.522  -8.952
  312    H    GLY  40           HN       GLY  40  10.103  18.309  -6.178
  313   1HA   GLY  40          1HA       GLY  40   8.999  18.184  -4.117
  314   2HA   GLY  40          2HA       GLY  40   9.441  19.843  -3.763
  315    H    LYS  41           HN       LYS  41   8.311  19.085  -7.021
  316    HA   LYS  41           HA       LYS  41   5.911  20.641  -6.457
  317   1HB   LYS  41          2HB       LYS  41   7.783  20.722  -8.515
  318   2HB   LYS  41          3HB       LYS  41   6.411  19.912  -9.245
  319   1HG   LYS  41          2HG       LYS  41   5.088  21.902  -7.923
  320   2HG   LYS  41          3HG       LYS  41   6.623  22.709  -8.180
  321   1HD   LYS  41          2HD       LYS  41   6.451  22.583 -10.543
  322   2HD   LYS  41          3HD       LYS  41   5.306  21.258 -10.491
  323   1HE   LYS  41          2HE       LYS  41   3.490  22.672  -9.898
  324   2HE   LYS  41          3HE       LYS  41   4.540  23.935  -9.290
  325   1HZ   LYS  41          1HZ       LYS  41   3.675  23.469 -11.996
  326   2HZ   LYS  41          2HZ       LYS  41   4.230  24.843 -11.322
  327    H    GLU  42           HN       GLU  42   3.912  19.742  -6.351
  328    HA   GLU  42           HA       GLU  42   3.798  16.894  -6.710
  329   1HB   GLU  42          2HB       GLU  42   1.620  17.050  -5.603
  330   2HB   GLU  42          3HB       GLU  42   2.805  17.969  -4.695
  331   1HG   GLU  42          2HG       GLU  42   1.830  19.869  -6.495
  332   2HG   GLU  42          3HG       GLU  42   0.402  18.913  -6.147
  333    HE2  GLU  42           HE2      GLU  42  -0.225  21.079  -4.324
  334    H    GLY  43           HN       GLY  43   3.120  15.939  -8.578
  335   1HA   GLY  43          1HA       GLY  43   1.012  16.099 -10.053
  336   2HA   GLY  43          2HA       GLY  43   1.718  17.627 -10.540
  337    H    HIS  44           HN       HIS  44   4.461  17.081 -10.652
  338    HA   HIS  44           HA       HIS  44   4.496  15.148 -12.840
  339   1HB   HIS  44          2HB       HIS  44   6.280  16.354 -13.775
  340   2HB   HIS  44          3HB       HIS  44   5.135  17.563 -13.232
  341    HD1  HIS  44           HD1      HIS  44   5.935  19.272 -11.517
  342    HD2  HIS  44           HD2      HIS  44   8.652  16.131 -12.103
  343    HE1  HIS  44           HE1      HIS  44   8.072  19.936 -10.289
  344    H    GLN  45           HN       GLN  45   6.951  14.222 -13.063
  345    HA   GLN  45           HA       GLN  45   7.676  13.322 -10.387
  346   1HB   GLN  45          2HB       GLN  45   8.064  11.071 -11.239
  347   2HB   GLN  45          3HB       GLN  45   6.425  11.551 -11.631
  348   1HG   GLN  45          2HG       GLN  45   7.850  12.458 -13.851
  349   2HG   GLN  45          3HG       GLN  45   8.706  10.985 -13.439
  350   1HE2  GLN  45          2HE2      GLN  45   6.393   8.919 -14.936
  351   2HE2  GLN  45          1HE2      GLN  45   8.016   9.277 -14.452
  352    H    MET  46           HN       MET  46   9.988  12.547 -10.226
  353    HA   MET  46           HA       MET  46  11.714  14.425 -11.136
  354   1HB   MET  46          2HB       MET  46  12.182  12.808  -9.295
  355   2HB   MET  46          3HB       MET  46  12.214  11.478 -10.435
  356   1HG   MET  46          2HG       MET  46  14.061  13.594 -11.276
  357   2HG   MET  46          3HG       MET  46  14.409  13.091  -9.634
  358   1HE   MET  46          2HE       MET  46  14.451  10.940  -8.838
  359   2HE   MET  46          3HE       MET  46  13.992   9.501  -9.779
  360   3HE   MET  46          1HE       MET  46  15.711   9.896  -9.540
  361    H    LYS  47           HN       LYS  47  10.914  11.222 -12.606
  362    HA   LYS  47           HA       LYS  47  12.839  11.241 -14.593
  363   1HB   LYS  47          2HB       LYS  47  10.531   9.705 -13.863
  364   2HB   LYS  47          3HB       LYS  47  10.468  10.012 -15.586
  365   1HG   LYS  47          2HG       LYS  47  11.750   7.969 -15.216
  366   2HG   LYS  47          3HG       LYS  47  12.844   9.209 -15.796
  367   1HD   LYS  47          2HD       LYS  47  13.828   7.966 -13.881
  368   2HD   LYS  47          3HD       LYS  47  13.624   9.664 -13.498
  369   1HE   LYS  47          2HE       LYS  47  11.670   9.237 -12.149
  370   2HE   LYS  47          3HE       LYS  47  11.491   7.612 -12.780
  371   1HZ   LYS  47          1HZ       LYS  47  12.737   8.131 -10.487
  372   2HZ   LYS  47          2HZ       LYS  47  13.113   6.833 -11.394
  373    H    ASP  48           HN       ASP  48   9.682  12.898 -14.341
  374    HA   ASP  48           HA       ASP  48  10.242  14.047 -16.960
  375   1HB   ASP  48          2HB       ASP  48   8.017  12.738 -16.400
  376   2HB   ASP  48          3HB       ASP  48   7.566  14.192 -15.531
  377    HD2  ASP  48           HD2      ASP  48   8.500  13.159 -18.756
  378    H    CYS  49           HN       CYS  49  11.480  14.889 -14.407
  379    HA   CYS  49           HA       CYS  49  10.187  16.920 -13.108
  380   1HB   CYS  49          2HB       CYS  49  12.358  15.883 -12.433
  381   2HB   CYS  49          3HB       CYS  49  13.161  16.780 -13.706
  382    H    THR  50           HN       THR  50   9.208  18.687 -14.038
  383    HA   THR  50           HA       THR  50  10.125  19.659 -16.592
  384    HB   THR  50           HB       THR  50   7.699  19.441 -15.961
  385    HG1  THR  50           HG1      THR  50   8.632  22.214 -16.133
  386   1HG2  THR  50          1HG2      THR  50   8.359  21.762 -14.072
  387   2HG2  THR  50          2HG2      THR  50   6.730  21.146 -14.438
  388   3HG2  THR  50          3HG2      THR  50   7.886  20.130 -13.545
  389    H    GLU  51           HN       GLU  51  11.457  19.949 -13.621
  390    HA   GLU  51           HA       GLU  51  12.711  22.389 -14.397
  391   1HB   GLU  51          2HB       GLU  51  10.635  22.346 -12.304
  392   2HB   GLU  51          3HB       GLU  51  12.157  22.989 -11.721
  393   1HG   GLU  51          2HG       GLU  51  12.143  24.792 -13.230
  394   2HG   GLU  51          3HG       GLU  51  11.150  23.947 -14.400
  395    HE2  GLU  51           HE2      GLU  51   9.108  26.429 -12.608
  396    H    ARG  52           HN       ARG  52  14.455  20.773 -14.567
  397    HA   ARG  52           HA       ARG  52  15.216  19.375 -12.241
  398   1HB   ARG  52          2HB       ARG  52  17.201  18.708 -13.597
  399   2HB   ARG  52          3HB       ARG  52  15.717  18.509 -14.508
  400   1HG   ARG  52          2HG       ARG  52  16.388  21.125 -15.131
  401   2HG   ARG  52          3HG       ARG  52  17.973  20.397 -14.956
  402   1HD   ARG  52          2HD       ARG  52  16.642  18.459 -16.434
  403   2HD   ARG  52          3HD       ARG  52  15.899  19.927 -17.038
  404    HE   ARG  52           HE       ARG  52  18.707  19.117 -17.373
  405   1HH1  ARG  52          2HH2      ARG  52  16.404  21.804 -17.531
  406   2HH1  ARG  52          1HH2      ARG  52  17.397  22.756 -18.583
  407    HH2  ARG  52           HH1      ARG  52  19.518  21.895 -19.293
  408    H    GLN  53           HN       GLN  53  16.329  20.230 -10.513
  409    HA   GLN  53           HA       GLN  53  18.615  21.716 -10.779
  410   1HB   GLN  53          2HB       GLN  53  16.454  23.362 -11.347
  411   2HB   GLN  53          3HB       GLN  53  16.697  23.669  -9.639
  412   1HG   GLN  53          2HG       GLN  53  19.112  24.152 -10.063
  413   2HG   GLN  53          3HG       GLN  53  18.882  23.828 -11.770
  414   1HE2  GLN  53          2HE2      GLN  53  17.932  27.412 -10.095
  415   2HE2  GLN  53          1HE2      GLN  53  18.614  26.079  -9.226
  416    H    ALA  54           HN       ALA  54  18.938  23.046  -8.455
  417    HA   ALA  54           HA       ALA  54  19.155  22.836  -6.263
  418   1HB   ALA  54          2HB       ALA  54  16.704  23.080  -6.225
  419   2HB   ALA  54          3HB       ALA  54  16.518  21.322  -6.443
  420   3HB   ALA  54          1HB       ALA  54  17.248  21.962  -4.951
  421    H    ASN  55           HN       ASN  55  19.102  20.943  -4.397
  422    HA   ASN  55           HA       ASN  55  21.109  19.314  -4.879
  423   1HB   ASN  55          2HB       ASN  55  20.306  17.896  -3.034
  424   2HB   ASN  55          3HB       ASN  55  19.889  19.561  -2.681
  425   1HD2  ASN  55          2HD2      ASN  55  16.467  19.082  -2.523
  426   2HD2  ASN  55          1HD2      ASN  55  17.855  20.096  -2.307
  427   1H5*    G 201          1H5*        G 201   0.196 -19.726  -7.275
  428   2H5*    G 201          2H5*        G 201   0.693 -18.209  -6.524
  429    H4*    G 201           H4*        G 201   0.272 -19.890  -4.838
  430    H3*    G 201           H3*        G 201   3.171 -19.090  -5.144
  431   1H2*    G 201          1H2*        G 201   3.645 -20.304  -3.180
  432   2HO*    G 201          2HO*        G 201   1.715 -19.422  -2.184
  433    H1*    G 201           H1*        G 201   2.066 -22.510  -3.842
  434    H8     G 201           H8         G 201   4.193 -20.571  -6.379
  435    H1     G 201           H1         G 201   6.724 -26.155  -4.305
  436   1H2     G 201          1H2         G 201   5.490 -26.982  -2.876
  437   2H2     G 201          2H2         G 201   3.991 -26.269  -2.321
  438   1H5*    G 202          1H5*        G 202   2.744 -18.255  -0.751
  439   2H5*    G 202          2H5*        G 202   3.668 -16.755  -0.708
  440    H4*    G 202           H4*        G 202   4.612 -18.517   0.732
  441    H3*    G 202           H3*        G 202   6.263 -17.398  -1.517
  442   1H2*    G 202          1H2*        G 202   8.088 -18.738  -0.890
  443   2HO*    G 202          2HO*        G 202   7.451 -19.964   1.301
  444    H1*    G 202           H1*        G 202   6.540 -21.040  -0.376
  445    H8     G 202           H8         G 202   5.971 -18.797  -3.422
  446    H1     G 202           H1         G 202   9.493 -24.114  -4.517
  447   1H2     G 202          1H2         G 202   9.818 -25.104  -2.737
  448   2H2     G 202          2H2         G 202   9.224 -24.572  -1.181
  449   1H5*    A 203          1H5*        A 203   8.651 -17.458   1.779
  450   2H5*    A 203          2H5*        A 203   9.155 -15.830   2.231
  451    H4*    A 203           H4*        A 203  11.146 -16.961   2.315
  452    H3*    A 203           H3*        A 203  10.872 -15.620  -0.329
  453   1H2*    A 203          1H2*        A 203  12.795 -16.642  -1.209
  454   2HO*    A 203          2HO*        A 203  13.891 -18.027   0.685
  455    H1*    A 203           H1*        A 203  12.249 -19.197  -0.192
  456    H8     A 203           H8         A 203   9.521 -16.954  -1.668
  457   1H6     A 203          1H6         A 203  10.140 -20.421  -6.821
  458   2H6     A 203          2H6         A 203   9.226 -19.122  -6.088
  459    H2     A 203           H2         A 203  13.184 -21.757  -3.873
  460   1H5*    C 204          1H5*        C 204  14.855 -15.372   0.853
  461   2H5*    C 204          2H5*        C 204  15.636 -13.865   0.373
  462    H4*    C 204           H4*        C 204  16.761 -15.765  -0.620
  463    H3*    C 204           H3*        C 204  15.310 -13.937  -2.529
  464   1H2*    C 204          1H2*        C 204  16.095 -15.186  -4.328
  465   2HO*    C 204          2HO*        C 204  18.247 -15.050  -3.450
  466    H1*    C 204           H1*        C 204  16.006 -17.707  -3.048
  467   1H4     C 204          1H4         C 204  10.683 -17.779  -6.533
  468   2H4     C 204          2H4         C 204  10.007 -16.484  -5.571
  469    H5     C 204           H5         C 204  11.172 -15.390  -3.832
  470    H6     C 204           H6         C 204  13.295 -15.268  -2.577
  471   1H5*    U 205          1H5*        U 205  19.661 -13.140  -2.732
  472   2H5*    U 205          2H5*        U 205  20.166 -11.610  -3.448
  473    H4*    U 205           H4*        U 205  20.843 -13.449  -4.855
  474    H3*    U 205           H3*        U 205  18.704 -11.649  -5.971
  475   1H2*    U 205          1H2*        U 205  18.719 -12.851  -7.983
  476   2HO*    U 205          2HO*        U 205  21.127 -13.967  -6.861
  477    H1*    U 205           H1*        U 205  19.024 -15.388  -6.739
  478    H3     U 205           H3         U 205  14.931 -15.990  -8.499
  479    H5     U 205           H5         U 205  14.316 -12.920  -5.718
  480    H6     U 205           H6         U 205  16.738 -12.914  -5.336
  481   1H5*    A 206          1H5*        A 206  20.733 -11.722  -8.722
  482   2H5*    A 206          2H5*        A 206  21.680 -10.366  -9.331
  483    H4*    A 206           H4*        A 206  20.462 -11.078 -11.179
  484    H3*    A 206           H3*        A 206  19.063  -8.724  -9.910
  485   1H2*    A 206          1H2*        A 206  17.418  -8.825 -11.528
  486   2HO*    A 206          2HO*        A 206  19.333 -10.341 -13.053
  487    H1*    A 206           H1*        A 206  17.634 -11.643 -12.038
  488    H8     A 206           H8         A 206  17.135 -10.253  -8.529
  489   1H6     A 206          1H6         A 206  11.081 -11.510  -9.377
  490   2H6     A 206          2H6         A 206  12.264 -10.960  -8.212
  491    H2     A 206           H2         A 206  13.216 -12.321 -13.188
  492   1H5*    G 207          1H5*        G 207  19.994  -7.845 -13.546
  493   2H5*    G 207          2H5*        G 207  20.009  -6.226 -14.243
  494    H4*    G 207           H4*        G 207  17.927  -7.181 -14.803
  495    H3*    G 207           H3*        G 207  17.288  -5.471 -12.371
  496   1H2*    G 207          1H2*        G 207  15.196  -5.315 -13.431
  497   2HO*    G 207          2HO*        G 207  15.526  -6.271 -15.848
  498    H1*    G 207           H1*        G 207  15.291  -7.935 -14.500
  499    H8     G 207           H8         G 207  16.305  -7.162 -10.899
  500    H1     G 207           H1         G 207  10.252  -9.323 -11.657
  501   1H2     G 207          1H2         G 207   9.837  -9.516 -13.668
  502   2H2     G 207          2H2         G 207  10.961  -9.148 -14.956
  503   1H5*    C 208          1H5*        C 208  17.575  -1.743 -15.143
  504   2H5*    C 208          2H5*        C 208  17.016  -0.468 -14.060
  505    H4*    C 208           H4*        C 208  15.496  -2.103 -15.805
  506    H3*    C 208           H3*        C 208  14.881   0.135 -13.894
  507   1H2*    C 208          1H2*        C 208  12.812  -0.767 -13.587
  508   2HO*    C 208          2HO*        C 208  12.842  -0.837 -16.465
  509    H1*    C 208           H1*        C 208  12.789  -2.954 -15.477
  510   1H4     C 208          1H4         C 208  11.544  -5.796  -9.912
  511   2H4     C 208          2H4         C 208  13.169  -5.455  -9.362
  512    H5     C 208           H5         C 208  14.741  -4.197 -10.596
  513    H6     C 208           H6         C 208  15.144  -2.943 -12.685
  514   1H5*    G 209          1H5*        G 209  13.498   3.657 -13.855
  515   2H5*    G 209          2H5*        G 209  13.971   1.981 -13.580
  516    H4*    G 209           H4*        G 209  11.624   2.156 -15.285
  517    H3*    G 209           H3*        G 209  11.593   3.827 -12.827
  518   1H2*    G 209          1H2*        G 209   9.843   2.718 -11.859
  519   2HO*    G 209          2HO*        G 209   9.128   2.145 -14.591
  520    H1*    G 209           H1*        G 209   9.954   0.215 -13.100
  521    H8     G 209           H8         G 209  13.086   1.989 -11.796
  522    H1     G 209           H1         G 209  10.631  -2.543  -7.882
  523   1H2     G 209          1H2         G 209   8.881  -3.276  -8.690
  524   2H2     G 209          2H2         G 209   8.183  -2.741 -10.201
  525   1H5*    G 210          1H5*        G 210  10.764   6.231 -11.524
  526   2H5*    G 210          2H5*        G 210   9.996   4.721 -12.014
  527    H4*    G 210           H4*        G 210   8.395   5.440 -10.596
  528    H3*    G 210           H3*        G 210   7.730   6.504 -13.268
  529   1H2*    G 210          1H2*        G 210   7.048   8.486 -12.287
  530   2HO*    G 210          2HO*        G 210   4.849   8.084 -11.706
  531    H1*    G 210           H1*        G 210   6.424   7.693  -9.573
  532    H8     G 210           H8         G 210   9.698   8.476 -11.433
  533    H1     G 210           H1         G 210   8.070  12.624  -6.740
  534   1H2     G 210          1H2         G 210   6.290  12.032  -5.884
  535   2H2     G 210          2H2         G 210   5.374  10.622  -6.367
  536   1H5*    A 211          1H5*        A 211   8.050   3.603 -11.250
  537   2H5*    A 211          2H5*        A 211   8.043   1.843 -11.351
  538    H4*    A 211           H4*        A 211   6.848   2.183  -9.427
  539    H3*    A 211           H3*        A 211   4.942   1.908 -11.712
  540   1H2*    A 211          1H2*        A 211   3.690   3.439 -10.406
  541   2HO*    A 211          2HO*        A 211   2.544   1.515 -10.529
  542    H1*    A 211           H1*        A 211   4.818   2.057  -7.920
  543    H8     A 211           H8         A 211   4.594   5.682  -9.152
  544   1H6     A 211          1H6         A 211   1.512   6.772  -3.835
  545   2H6     A 211          2H6         A 211   2.159   7.521  -5.278
  546    H2     A 211           H2         A 211   2.414   2.426  -4.054
  547   1H5*    G 212          1H5*        G 212   3.525  -3.144 -10.501
  548   2H5*    G 212          2H5*        G 212   2.654  -2.961  -8.978
  549    H4*    G 212           H4*        G 212   5.324  -3.854  -9.426
  550    H3*    G 212           H3*        G 212   3.433  -3.710  -7.131
  551   1H2*    G 212          1H2*        G 212   5.076  -3.300  -5.612
  552   2HO*    G 212          2HO*        G 212   6.779  -5.003  -7.165
  553    H1*    G 212           H1*        G 212   7.288  -2.926  -7.509
  554    H8     G 212           H8         G 212   4.268  -0.822  -6.396
  555    H1     G 212           H1         G 212  10.080   1.594  -4.895
  556   1H2     G 212          1H2         G 212  11.551   0.308  -5.554
  557   2H2     G 212          2H2         G 212  11.255  -1.201  -6.389
  558   1H5*    G 213          1H5*        G 213   2.203  -4.880  -8.985
  559   2H5*    G 213          2H5*        G 213   0.747  -5.866  -9.116
  560    H4*    G 213           H4*        G 213   1.363  -6.046 -11.265
  561    H3*    G 213           H3*        G 213   3.070  -8.120  -9.913
  562   1H2*    G 213          1H2*        G 213   4.259  -8.487 -11.853
  563   2HO*    G 213          2HO*        G 213   1.990  -7.302 -13.176
  564    H1*    G 213           H1*        G 213   4.100  -5.953 -13.024
  565    H8     G 213           H8         G 213   4.837  -6.855  -9.358
  566    H1     G 213           H1         G 213   9.855  -4.589 -12.758
  567   1H2     G 213          1H2         G 213   9.256  -4.192 -14.691
  568   2H2     G 213          2H2         G 213   7.634  -4.437 -15.300
  569   1H5*    C 214          1H5*        C 214   1.448 -10.091 -13.521
  570   2H5*    C 214          2H5*        C 214   1.702 -11.817 -13.268
  571    H4*    C 214           H4*        C 214   3.080 -10.855 -15.087
  572    H3*    C 214           H3*        C 214   4.496 -12.102 -12.723
  573   1H2*    C 214          1H2*        C 214   6.508 -11.955 -13.946
  574   2HO*    C 214          2HO*        C 214   5.774 -10.987 -16.302
  575    H1*    C 214           H1*        C 214   5.984  -9.366 -14.919
  576   1H4     C 214          1H4         C 214   9.679  -8.154  -9.883
  577   2H4     C 214          2H4         C 214   8.450  -8.770  -8.801
  578    H5     C 214           H5         C 214   6.412  -9.718  -9.527
  579    H6     C 214           H6         C 214   5.038 -10.312 -11.490
  580   1H5*    U 215          1H5*        U 215   5.058 -14.020 -16.072
  581   2H5*    U 215          2H5*        U 215   5.100 -15.757 -16.368
  582    H4*    U 215           H4*        U 215   7.160 -14.848 -17.122
  583    H3*    U 215           H3*        U 215   7.261 -16.579 -14.726
  584   1H2*    U 215          1H2*        U 215   9.274 -15.819 -13.970
  585   2HO*    U 215          2HO*        U 215  10.691 -15.116 -16.016
  586    H1*    U 215           H1*        U 215   9.340 -13.421 -15.686
  587    H3     U 215           H3         U 215  10.958 -11.586 -11.895
  588    H5     U 215           H5         U 215   7.111 -12.833 -10.803
  589    H6     U 215           H6         U 215   6.934 -13.887 -13.010
  590   1H5*    A 216          1H5*        A 216  10.004 -17.441 -17.436
  591   2H5*    A 216          2H5*        A 216  10.521 -18.984 -18.116
  592    H4*    A 216           H4*        A 216  12.432 -18.092 -17.103
  593    H3*    A 216           H3*        A 216  11.168 -20.217 -15.396
  594   1H2*    A 216          1H2*        A 216  12.623 -19.795 -13.678
  595   2HO*    A 216          2HO*        A 216  14.681 -19.959 -14.369
  596    H1*    A 216           H1*        A 216  13.369 -17.118 -14.634
  597    H8     A 216           H8         A 216   9.882 -17.923 -13.407
  598   1H6     A 216          1H6         A 216  11.701 -15.555  -7.926
  599   2H6     A 216          2H6         A 216  10.327 -16.169  -8.819
  600    H2     A 216           H2         A 216  15.249 -15.773 -10.592
  601   1H5*    G 217          1H5*        G 217  15.013 -21.860 -16.204
  602   2H5*    G 217          2H5*        G 217  15.078 -23.581 -15.825
  603    H4*    G 217           H4*        G 217  16.211 -22.253 -14.130
  604    H3*    G 217           H3*        G 217  13.650 -23.544 -13.125
  605   1H2*    G 217          1H2*        G 217  14.489 -23.133 -10.968
  606   2HO*    G 217          2HO*        G 217  16.575 -23.976 -11.706
  607    H1*    G 217           H1*        G 217  15.657 -20.626 -11.759
  608    H8     G 217           H8         G 217  12.028 -21.527 -12.489
  609    H1     G 217           H1         G 217  12.948 -17.984  -7.152
  610   1H2     G 217          1H2         G 217  14.969 -17.769  -6.808
  611   2H2     G 217          2H2         G 217  16.228 -18.449  -7.815
  612   1H5*    U 218          1H5*        U 218  16.847 -25.944 -11.934
  613   2H5*    U 218          2H5*        U 218  16.590 -27.625 -11.463
  614    H4*    U 218           H4*        U 218  17.142 -26.443  -9.495
  615    H3*    U 218           H3*        U 218  14.135 -26.866  -9.580
  616   1H2*    U 218          1H2*        U 218  14.160 -26.337  -7.279
  617   2HO*    U 218          2HO*        U 218  16.978 -26.196  -7.207
  618    H1*    U 218           H1*        U 218  16.068 -24.263  -7.592
  619    H3     U 218           H3         U 218  12.550 -21.732  -6.412
  620    H5     U 218           H5         U 218  11.333 -23.380 -10.065
  621    H6     U 218           H6         U 218  13.397 -24.703 -10.044
  622   1H5*    C 219          1H5*        C 219  15.696 -28.947  -6.805
  623   2H5*    C 219          2H5*        C 219  15.243 -30.564  -6.265
  624    H4*    C 219           H4*        C 219  14.911 -29.144  -4.420
  625    H3*    C 219           H3*        C 219  12.267 -29.753  -5.763
  626   1H2*    C 219          1H2*        C 219  11.193 -28.620  -4.051
  627   2HO*    C 219          2HO*        C 219  13.635 -28.875  -2.556
  628    H1*    C 219           H1*        C 219  13.135 -26.688  -3.507
  629   1H4     C 219          1H4         C 219   9.329 -23.525  -7.501
  630   2H4     C 219          2H4         C 219   9.719 -24.633  -8.798
  631    H5     C 219           H5         C 219  11.118 -26.518  -8.542
  632    H6     C 219           H6         C 219  12.503 -27.817  -6.963
  633   1H5*    C 220          1H5*        C 220  11.572 -32.200  -2.207
  634   2H5*    C 220          2H5*        C 220  11.248 -33.818  -2.829
  635    H4*    C 220           H4*        C 220   9.374 -33.359  -1.551
  636    H3*    C 220           H3*        C 220   8.857 -32.929  -4.447
  637   1H2*    C 220          1H2*        C 220   6.713 -32.015  -4.083
  638   2HO*    C 220          2HO*        C 220   5.989 -33.356  -2.470
  639    H1*    C 220           H1*        C 220   7.572 -30.368  -1.942
  640   1H4     C 220          1H4         C 220   7.533 -26.238  -6.776
  641   2H4     C 220          2H4         C 220   8.717 -27.190  -7.642
  642    H5     C 220           H5         C 220   9.580 -29.245  -6.861
  643    H6     C 220           H6         C 220   9.518 -30.908  -5.037
   
  No H/Q in entry =         643
  Start of MODEL   14
    1    H    MET   1           HN       MET   1   2.144 -15.234   5.271
    2    HA   MET   1           HA       MET   1   2.897 -13.238   4.835
    3   1HB   MET   1          2HB       MET   1   5.373 -12.827   4.728
    4   2HB   MET   1          3HB       MET   1   4.966 -13.875   6.071
    5   1HG   MET   1          2HG       MET   1   5.382 -15.560   3.769
    6   2HG   MET   1          3HG       MET   1   6.715 -14.425   3.831
    7   1HE   MET   1          3HE       MET   1   8.575 -15.737   4.360
    8   2HE   MET   1          1HE       MET   1   8.667 -14.539   5.674
    9   3HE   MET   1          2HE       MET   1   8.986 -16.257   6.012
   10    H    GLN   2           HN       GLN   2   1.568 -14.054   2.790
   11    HA   GLN   2           HA       GLN   2   2.845 -14.710   0.466
   12   1HB   GLN   2          2HB       GLN   2   0.267 -13.183   0.991
   13   2HB   GLN   2          3HB       GLN   2   0.770 -13.619  -0.629
   14   1HG   GLN   2          2HG       GLN   2  -0.122 -15.678  -0.322
   15   2HG   GLN   2          3HG       GLN   2   1.078 -15.990   0.917
   16   1HE2  GLN   2          2HE2      GLN   2  -2.765 -15.825   1.885
   17   2HE2  GLN   2          1HE2      GLN   2  -2.079 -16.106   0.319
   18    H    LYS   3           HN       LYS   3   2.430 -12.975  -1.583
   19    HA   LYS   3           HA       LYS   3   3.200 -11.185  -2.620
   20   1HB   LYS   3          2HB       LYS   3   2.982  -9.948   0.134
   21   2HB   LYS   3          3HB       LYS   3   3.478  -9.039  -1.280
   22   1HG   LYS   3          2HG       LYS   3   0.933 -10.690  -1.359
   23   2HG   LYS   3          3HG       LYS   3   0.924  -9.106  -0.610
   24   1HD   LYS   3          2HD       LYS   3   1.841  -8.114  -2.730
   25   2HD   LYS   3          3HD       LYS   3   1.801  -9.700  -3.476
   26   1HE   LYS   3          2HE       LYS   3  -0.782  -9.545  -2.556
   27   2HE   LYS   3          3HE       LYS   3  -0.458  -7.844  -2.833
   28   1HZ   LYS   3          1HZ       LYS   3   0.538  -9.198  -5.048
   29   2HZ   LYS   3          2HZ       LYS   3  -0.922  -9.862  -4.763
   30    H    GLY   4           HN       GLY   4   5.005 -13.093  -2.417
   31   1HA   GLY   4          1HA       GLY   4   7.324 -12.627  -0.938
   32   2HA   GLY   4          2HA       GLY   4   7.206 -13.540  -2.430
   33    H    ASN   5           HN       ASN   5   5.986 -10.928  -3.705
   34    HA   ASN   5           HA       ASN   5   8.241 -10.134  -4.998
   35   1HB   ASN   5          2HB       ASN   5   5.562  -9.573  -5.216
   36   2HB   ASN   5          3HB       ASN   5   6.122  -8.046  -4.565
   37   1HD2  ASN   5          2HD2      ASN   5   6.770  -6.997  -7.812
   38   2HD2  ASN   5          1HD2      ASN   5   5.878  -6.816  -6.338
   39    H    PHE   6           HN       PHE   6   7.087  -9.383  -1.785
   40    HA   PHE   6           HA       PHE   6   8.057  -6.821  -1.405
   41   1HB   PHE   6          2HB       PHE   6   7.203  -9.217   0.114
   42   2HB   PHE   6          3HB       PHE   6   8.471  -8.364   0.971
   43    HD1  PHE   6           HD1      PHE   6   7.746  -5.552   0.096
   44    HD2  PHE   6           HD2      PHE   6   5.372  -8.765   1.524
   45    HE1  PHE   6           HE1      PHE   6   6.056  -3.915   0.969
   46    HE2  PHE   6           HE2      PHE   6   3.682  -7.128   2.398
   47    HZ   PHE   6           HZ       PHE   6   4.044  -4.723   2.110
   48    H    ARG   7           HN       ARG   7   9.784  -9.744  -2.057
   49    HA   ARG   7           HA       ARG   7  12.021  -9.376  -0.507
   50   1HB   ARG   7          2HB       ARG   7  13.165 -10.813  -2.230
   51   2HB   ARG   7          3HB       ARG   7  11.614 -11.461  -1.738
   52   1HG   ARG   7          2HG       ARG   7  10.875 -11.393  -3.878
   53   2HG   ARG   7          3HG       ARG   7  11.135  -9.661  -3.937
   54   1HD   ARG   7          2HD       ARG   7  13.693 -11.070  -4.118
   55   2HD   ARG   7          3HD       ARG   7  12.589 -11.664  -5.342
   56    HE   ARG   7           HE       ARG   7  13.737  -8.968  -5.181
   57   1HH1  ARG   7          2HH2      ARG   7  11.122 -10.932  -6.545
   58   2HH1  ARG   7          1HH2      ARG   7  10.815  -9.838  -7.852
   59    HH2  ARG   7           HH1      ARG   7  12.127  -7.841  -8.045
   60    H    ASN   8           HN       ASN   8  10.756  -7.352  -2.921
   61    HA   ASN   8           HA       ASN   8  12.930  -6.599  -4.384
   62   1HB   ASN   8          2HB       ASN   8  11.703  -4.482  -4.772
   63   2HB   ASN   8          3HB       ASN   8  10.576  -5.824  -4.781
   64   1HD2  ASN   8          2HD2      ASN   8   9.577  -2.810  -2.596
   65   2HD2  ASN   8          1HD2      ASN   8  10.361  -2.901  -4.138
   66    H    GLN   9           HN       GLN   9  12.068  -6.023  -1.007
   67    HA   GLN   9           HA       GLN   9  13.475  -3.686  -0.566
   68   1HB   GLN   9          2HB       GLN   9  12.821  -6.005   1.301
   69   2HB   GLN   9          3HB       GLN   9  13.488  -4.482   1.852
   70   1HG   GLN   9          2HG       GLN   9  11.544  -3.246   1.118
   71   2HG   GLN   9          3HG       GLN   9  10.945  -4.600   0.179
   72   1HE2  GLN   9          2HE2      GLN   9  10.153  -4.191   4.157
   73   2HE2  GLN   9          1HE2      GLN   9  11.114  -3.080   3.238
   74    H    ARG  10           HN       ARG  10  14.617  -6.748  -1.521
   75    HA   ARG  10           HA       ARG  10  17.029  -6.670  -0.028
   76   1HB   ARG  10          2HB       ARG  10  17.630  -8.674  -1.292
   77   2HB   ARG  10          3HB       ARG  10  15.937  -8.800  -0.854
   78   1HG   ARG  10          2HG       ARG  10  15.506  -9.151  -3.057
   79   2HG   ARG  10          3HG       ARG  10  15.847  -7.451  -3.308
   80   1HD   ARG  10          2HD       ARG  10  18.388  -8.278  -3.372
   81   2HD   ARG  10          3HD       ARG  10  17.666  -9.831  -3.743
   82    HE   ARG  10           HE       ARG  10  17.768  -7.501  -5.496
   83   1HH1  ARG  10          2HH2      ARG  10  15.950 -10.457  -4.778
   84   2HH1  ARG  10          1HH2      ARG  10  15.290 -10.586  -6.374
   85    HH2  ARG  10           HH1      ARG  10  15.860  -8.938  -8.018
   86    H    LYS  11           HN       LYS  11  15.890  -4.730  -2.449
   87    HA   LYS  11           HA       LYS  11  18.586  -4.338  -3.536
   88   1HB   LYS  11          2HB       LYS  11  17.303  -5.460  -5.251
   89   2HB   LYS  11          3HB       LYS  11  15.968  -4.341  -5.061
   90   1HG   LYS  11          2HG       LYS  11  17.051  -2.625  -6.190
   91   2HG   LYS  11          3HG       LYS  11  18.639  -3.102  -5.622
   92   1HD   LYS  11          2HD       LYS  11  18.946  -3.935  -7.722
   93   2HD   LYS  11          3HD       LYS  11  17.958  -5.281  -7.187
   94   1HE   LYS  11          2HE       LYS  11  15.901  -3.978  -7.964
   95   2HE   LYS  11          3HE       LYS  11  16.983  -2.780  -8.646
   96   1HZ   LYS  11          1HZ       LYS  11  18.015  -4.935  -9.757
   97   2HZ   LYS  11          2HZ       LYS  11  16.512  -5.523  -9.545
   98    H    THR  12           HN       THR  12  17.514  -3.112  -1.191
   99    HA   THR  12           HA       THR  12  16.783  -1.132  -0.356
  100    HB   THR  12           HB       THR  12  19.339  -1.114  -1.012
  101    HG1  THR  12           HG1      THR  12  18.388   0.324   0.553
  102   1HG2  THR  12          2HG2      THR  12  18.270  -0.037  -3.407
  103   2HG2  THR  12          3HG2      THR  12  18.857   1.375  -2.496
  104   3HG2  THR  12          1HG2      THR  12  19.971   0.042  -2.883
  105    H    VAL  13           HN       VAL  13  14.855  -1.857  -2.139
  106    HA   VAL  13           HA       VAL  13  14.289  -0.401  -4.303
  107    HB   VAL  13           HB       VAL  13  11.890  -0.491  -3.509
  108   1HG1  VAL  13          2HG1      VAL  13  13.759  -2.666  -4.053
  109   2HG1  VAL  13          3HG1      VAL  13  12.353  -3.208  -3.106
  110   3HG1  VAL  13          1HG1      VAL  13  12.111  -2.392  -4.670
  111   1HG2  VAL  13          2HG2      VAL  13  13.221  -1.710  -1.071
  112   2HG2  VAL  13          3HG2      VAL  13  12.165  -0.279  -1.132
  113   3HG2  VAL  13          1HG2      VAL  13  11.495  -1.894  -1.464
  114    H    LYS  14           HN       LYS  14  13.099   1.607  -4.736
  115    HA   LYS  14           HA       LYS  14  13.723   3.618  -2.691
  116   1HB   LYS  14          2HB       LYS  14  14.112   5.177  -4.405
  117   2HB   LYS  14          3HB       LYS  14  14.912   3.711  -4.935
  118   1HG   LYS  14          2HG       LYS  14  12.408   3.324  -6.013
  119   2HG   LYS  14          3HG       LYS  14  12.503   5.073  -6.061
  120   1HD   LYS  14          2HD       LYS  14  15.006   3.784  -6.961
  121   2HD   LYS  14          3HD       LYS  14  13.625   3.312  -7.931
  122   1HE   LYS  14          2HE       LYS  14  13.764   5.290  -9.029
  123   2HE   LYS  14          3HE       LYS  14  13.333   6.114  -7.543
  124   1HZ   LYS  14          1HZ       LYS  14  15.928   5.875  -8.776
  125   2HZ   LYS  14          2HZ       LYS  14  15.393   6.998  -7.725
  126    H    CYS  15           HN       CYS  15  12.102   4.888  -1.860
  127    HA   CYS  15           HA       CYS  15   9.457   3.990  -2.289
  128   1HB   CYS  15          2HB       CYS  15  10.255   4.811  -0.102
  129   2HB   CYS  15          3HB       CYS  15  10.468   6.417  -0.770
  130    H    PHE  16           HN       PHE  16   8.276   4.517  -4.096
  131    HA   PHE  16           HA       PHE  16   9.055   6.732  -5.716
  132   1HB   PHE  16          2HB       PHE  16   6.883   4.585  -5.641
  133   2HB   PHE  16          3HB       PHE  16   6.745   5.888  -6.804
  134    HD1  PHE  16           HD1      PHE  16   9.584   6.250  -7.586
  135    HD2  PHE  16           HD2      PHE  16   7.335   2.710  -6.944
  136    HE1  PHE  16           HE1      PHE  16  11.094   5.006  -9.159
  137    HE2  PHE  16           HE2      PHE  16   8.844   1.466  -8.517
  138    HZ   PHE  16           HZ       PHE  16  10.705   2.628  -9.606
  139    H    ASN  17           HN       ASN  17   7.653   6.825  -2.796
  140    HA   ASN  17           HA       ASN  17   5.523   8.628  -3.579
  141   1HB   ASN  17          2HB       ASN  17   5.341   6.686  -1.779
  142   2HB   ASN  17          3HB       ASN  17   6.173   7.807  -0.720
  143   1HD2  ASN  17          2HD2      ASN  17   3.032   8.960   0.254
  144   2HD2  ASN  17          1HD2      ASN  17   4.479   8.096   0.655
  145    H    CYS  18           HN       CYS  18   8.208   8.339  -1.119
  146    HA   CYS  18           HA       CYS  18   8.300  11.231  -0.943
  147   1HB   CYS  18          2HB       CYS  18   9.822  10.850   0.962
  148   2HB   CYS  18          3HB       CYS  18   8.284  10.034   1.165
  149    H    GLY  19           HN       GLY  19  10.257   8.342  -1.867
  150   1HA   GLY  19          1HA       GLY  19  11.701   8.431  -3.740
  151   2HA   GLY  19          2HA       GLY  19  12.012  10.126  -3.422
  152    H    LYS  20           HN       LYS  20  11.893   7.656  -0.836
  153    HA   LYS  20           HA       LYS  20  14.793   8.015  -0.525
  154   1HB   LYS  20          2HB       LYS  20  12.563   8.299   1.361
  155   2HB   LYS  20          3HB       LYS  20  13.823   7.233   1.949
  156   1HG   LYS  20          2HG       LYS  20  15.245   9.377   0.798
  157   2HG   LYS  20          3HG       LYS  20  13.877  10.152   1.571
  158   1HD   LYS  20          2HD       LYS  20  14.631   9.674   3.682
  159   2HD   LYS  20          3HD       LYS  20  15.108   8.044   3.249
  160   1HE   LYS  20          2HE       LYS  20  17.125   9.053   2.031
  161   2HE   LYS  20          3HE       LYS  20  16.682  10.605   2.714
  162   1HZ   LYS  20          1HZ       LYS  20  18.325   9.073   3.996
  163   2HZ   LYS  20          2HZ       LYS  20  17.197   9.881   4.851
  164    H    GLU  21           HN       GLU  21  16.073   6.189  -0.250
  165    HA   GLU  21           HA       GLU  21  14.810   3.768  -1.081
  166   1HB   GLU  21          2HB       GLU  21  17.638   4.719  -0.680
  167   2HB   GLU  21          3HB       GLU  21  17.351   2.991  -0.682
  168   1HG   GLU  21          2HG       GLU  21  16.967   2.941  -2.932
  169   2HG   GLU  21          3HG       GLU  21  15.916   4.342  -2.874
  170    HE2  GLU  21           HE2      GLU  21  18.118   4.295  -4.946
  171    H    GLY  22           HN       GLY  22  14.719   1.783   0.116
  172   1HA   GLY  22          1HA       GLY  22  15.505   0.657   2.172
  173   2HA   GLY  22          2HA       GLY  22  15.116   2.136   3.029
  174    H    HIS  23           HN       HIS  23  12.702   2.523   1.100
  175    HA   HIS  23           HA       HIS  23  11.017   0.311   1.825
  176   1HB   HIS  23          2HB       HIS  23   9.514   1.442   3.221
  177   2HB   HIS  23          3HB       HIS  23  11.102   1.840   3.847
  178    HD1  HIS  23           HD1      HIS  23  11.905   4.310   3.651
  179    HD2  HIS  23           HD2      HIS  23   8.092   3.608   2.051
  180    HE1  HIS  23           HE1      HIS  23  10.864   6.605   3.252
  181    H    ILE  24           HN       ILE  24   8.859   0.481   0.760
  182    HA   ILE  24           HA       ILE  24   9.093   2.169  -1.627
  183    HB   ILE  24           HB       ILE  24   7.825   0.546  -2.796
  184   1HG1  ILE  24          2HG1      ILE  24   7.505  -1.026  -0.226
  185   2HG1  ILE  24          3HG1      ILE  24   6.270   0.026  -0.889
  186   1HG2  ILE  24          1HG2      ILE  24  10.351   0.115  -1.922
  187   2HG2  ILE  24          2HG2      ILE  24   9.550  -1.363  -1.339
  188   3HG2  ILE  24          3HG2      ILE  24   9.492  -0.943  -3.068
  189   1HD1  ILE  24          3HD1      ILE  24   7.526  -2.302  -2.413
  190   2HD1  ILE  24          1HD1      ILE  24   5.973  -2.382  -1.548
  191   3HD1  ILE  24          2HD1      ILE  24   6.156  -1.301  -2.949
  192    H    ALA  25           HN       ALA  25   6.969   2.974  -2.527
  193    HA   ALA  25           HA       ALA  25   5.688   4.581  -0.742
  194   1HB   ALA  25          3HB       ALA  25   5.618   4.796  -3.204
  195   2HB   ALA  25          1HB       ALA  25   4.576   3.357  -3.299
  196   3HB   ALA  25          2HB       ALA  25   3.982   4.833  -2.503
  197    H    LYS  26           HN       LYS  26   4.990   1.176  -1.620
  198    HA   LYS  26           HA       LYS  26   2.485   1.013  -0.409
  199   1HB   LYS  26          2HB       LYS  26   4.538  -1.193  -0.730
  200   2HB   LYS  26          3HB       LYS  26   2.809  -1.388  -0.525
  201   1HG   LYS  26          2HG       LYS  26   3.632   0.399  -2.777
  202   2HG   LYS  26          3HG       LYS  26   4.064  -1.289  -2.967
  203   1HD   LYS  26          2HD       LYS  26   1.300  -0.903  -1.969
  204   2HD   LYS  26          3HD       LYS  26   1.569  -0.176  -3.541
  205   1HE   LYS  26          2HE       LYS  26   2.845  -2.668  -3.765
  206   2HE   LYS  26          3HE       LYS  26   1.429  -3.032  -2.798
  207   1HZ   LYS  26          1HZ       LYS  26   0.354  -3.035  -4.769
  208   2HZ   LYS  26          2HZ       LYS  26   0.449  -1.410  -4.758
  209    H    ASN  27           HN       ASN  27   5.822   0.478   0.869
  210    HA   ASN  27           HA       ASN  27   4.687   0.029   3.475
  211   1HB   ASN  27          2HB       ASN  27   7.632   0.166   2.647
  212   2HB   ASN  27          3HB       ASN  27   7.009  -0.496   4.145
  213   1HD2  ASN  27          2HD2      ASN  27   7.754  -3.116   1.469
  214   2HD2  ASN  27          1HD2      ASN  27   8.609  -1.711   2.013
  215    H    CYS  28           HN       CYS  28   4.899   2.704   1.754
  216    HA   CYS  28           HA       CYS  28   6.587   4.315   3.432
  217   1HB   CYS  28          2HB       CYS  28   6.446   4.718   0.991
  218   2HB   CYS  28          3HB       CYS  28   4.748   5.122   1.153
  219    H    ARG  29           HN       ARG  29   5.841   5.772   5.029
  220    HA   ARG  29           HA       ARG  29   3.248   5.182   6.015
  221   1HB   ARG  29          2HB       ARG  29   5.404   5.674   7.386
  222   2HB   ARG  29          3HB       ARG  29   5.131   7.365   7.016
  223   1HG   ARG  29          2HG       ARG  29   2.757   7.069   7.979
  224   2HG   ARG  29          3HG       ARG  29   3.275   5.496   8.554
  225   1HD   ARG  29          2HD       ARG  29   5.347   7.092   9.460
  226   2HD   ARG  29          3HD       ARG  29   4.002   8.210   9.554
  227    HE   ARG  29           HE       ARG  29   3.015   6.883  11.242
  228   1HH1  ARG  29          2HH2      ARG  29   5.764   5.167   9.809
  229   2HH1  ARG  29          1HH2      ARG  29   5.792   3.938  11.031
  230    HH2  ARG  29           HH1      ARG  29   4.190   4.014  12.811
  231    H    ALA  30           HN       ALA  30   4.843   7.735   4.134
  232    HA   ALA  30           HA       ALA  30   3.005   9.796   4.584
  233   1HB   ALA  30          3HB       ALA  30   5.247   9.164   2.795
  234   2HB   ALA  30          1HB       ALA  30   3.991  10.148   2.005
  235   3HB   ALA  30          2HB       ALA  30   4.759  10.722   3.505
  236    HA   PRO  31           HA       PRO  31  -0.379   8.575   2.186
  237   1HB   PRO  31          2HB       PRO  31  -1.459  10.973   1.445
  238   2HB   PRO  31          3HB       PRO  31  -1.695  10.264   3.030
  239   1HG   PRO  31          2HG       PRO  31   0.044  12.524   2.251
  240   2HG   PRO  31          3HG       PRO  31  -0.528  12.078   3.846
  241   1HD   PRO  31          2HD       PRO  31   2.096  11.631   2.779
  242   2HD   PRO  31          3HD       PRO  31   1.487  11.084   4.328
  243    H    ARG  32           HN       ARG  32  -1.305   8.222   0.105
  244    HA   ARG  32           HA       ARG  32   0.619   8.039  -1.813
  245   1HB   ARG  32          2HB       ARG  32  -2.072   7.309  -1.541
  246   2HB   ARG  32          3HB       ARG  32  -2.117   8.420  -2.896
  247   1HG   ARG  32          2HG       ARG  32  -1.494   6.632  -4.168
  248   2HG   ARG  32          3HG       ARG  32   0.113   6.893  -3.519
  249   1HD   ARG  32          2HD       ARG  32  -1.803   5.266  -1.855
  250   2HD   ARG  32          3HD       ARG  32  -1.153   4.515  -3.298
  251    HE   ARG  32           HE       ARG  32   1.048   4.616  -2.368
  252   1HH1  ARG  32          2HH2      ARG  32  -1.347   6.090  -0.211
  253   2HH1  ARG  32          1HH2      ARG  32  -0.291   6.092   1.162
  254    HH2  ARG  32           HH1      ARG  32   1.931   5.223   0.937
  255    H    LYS  33           HN       LYS  33   1.753   9.752  -2.693
  256    HA   LYS  33           HA       LYS  33   0.152  11.993  -3.693
  257   1HB   LYS  33          2HB       LYS  33   2.187  12.056  -1.604
  258   2HB   LYS  33          3HB       LYS  33   2.609  13.098  -2.948
  259   1HG   LYS  33          2HG       LYS  33   0.914  14.569  -2.502
  260   2HG   LYS  33          3HG       LYS  33  -0.252  13.291  -2.228
  261   1HD   LYS  33          2HD       LYS  33   1.167  12.918   0.016
  262   2HD   LYS  33          3HD       LYS  33   1.648  14.580  -0.263
  263   1HE   LYS  33          2HE       LYS  33  -1.282  13.750  -0.308
  264   2HE   LYS  33          3HE       LYS  33  -0.473  14.163   1.191
  265   1HZ   LYS  33          1HZ       LYS  33  -0.041  16.354   0.374
  266   2HZ   LYS  33          2HZ       LYS  33  -0.491  15.987  -1.148
  267    H    LYS  34           HN       LYS  34   2.015  13.427  -5.045
  268    HA   LYS  34           HA       LYS  34   3.685  11.606  -6.543
  269   1HB   LYS  34          2HB       LYS  34   2.679  12.084  -8.691
  270   2HB   LYS  34          3HB       LYS  34   1.495  11.347  -7.630
  271   1HG   LYS  34          2HG       LYS  34   0.912  13.885  -7.025
  272   2HG   LYS  34          3HG       LYS  34   1.677  14.217  -8.566
  273   1HD   LYS  34          2HD       LYS  34  -0.158  13.512  -9.697
  274   2HD   LYS  34          3HD       LYS  34  -0.115  11.958  -8.888
  275   1HE   LYS  34          2HE       LYS  34  -2.147  12.683  -8.061
  276   2HE   LYS  34          3HE       LYS  34  -1.120  13.416  -6.844
  277   1HZ   LYS  34          1HZ       LYS  34  -1.089  15.353  -8.641
  278   2HZ   LYS  34          2HZ       LYS  34  -2.529  14.712  -9.051
  279    H    GLY  35           HN       GLY  35   4.727  13.376  -4.870
  280   1HA   GLY  35          1HA       GLY  35   5.138  15.902  -6.306
  281   2HA   GLY  35          2HA       GLY  35   5.551  15.552  -4.640
  282    H    CYS  36           HN       CYS  36   6.960  16.260  -7.494
  283    HA   CYS  36           HA       CYS  36   8.808  14.264  -7.960
  284   1HB   CYS  36          2HB       CYS  36   8.543  15.967  -9.594
  285   2HB   CYS  36          3HB       CYS  36   8.876  17.249  -8.446
  286    H    TRP  37           HN       TRP  37  10.385  13.463  -6.617
  287    HA   TRP  37           HA       TRP  37  11.062  14.932  -4.235
  288   1HB   TRP  37          2HB       TRP  37  12.630  12.547  -4.728
  289   2HB   TRP  37          3HB       TRP  37  11.566  12.945  -3.394
  290    HD1  TRP  37           HD1      TRP  37   8.794  12.467  -3.985
  291    HE1  TRP  37           HE1      TRP  37   7.645  10.471  -5.273
  292    HE3  TRP  37           HE3      TRP  37  12.972  10.971  -6.466
  293    HZ2  TRP  37           HZ2      TRP  37   8.592   8.533  -7.143
  294    HZ3  TRP  37           HZ3      TRP  37  12.774   9.019  -8.003
  295    HH2  TRP  37           HH2      TRP  37  10.679   7.812  -8.361
  296    H    LYS  38           HN       LYS  38  11.717  16.315  -6.670
  297    HA   LYS  38           HA       LYS  38  14.633  16.298  -6.418
  298   1HB   LYS  38          2HB       LYS  38  13.330  15.290  -8.638
  299   2HB   LYS  38          3HB       LYS  38  13.660  16.945  -9.113
  300   1HG   LYS  38          2HG       LYS  38  15.594  15.654  -9.751
  301   2HG   LYS  38          3HG       LYS  38  16.072  16.605  -8.359
  302   1HD   LYS  38          2HD       LYS  38  15.188  14.396  -7.052
  303   2HD   LYS  38          3HD       LYS  38  15.617  13.640  -8.574
  304   1HE   LYS  38          2HE       LYS  38  17.751  13.571  -7.778
  305   2HE   LYS  38          3HE       LYS  38  17.814  15.293  -8.099
  306   1HZ   LYS  38          1HZ       LYS  38  17.776  15.724  -5.899
  307   2HZ   LYS  38          2HZ       LYS  38  16.533  14.717  -5.599
  308    H    CYS  39           HN       CYS  39  11.680  18.034  -7.595
  309    HA   CYS  39           HA       CYS  39  13.057  20.519  -6.885
  310   1HB   CYS  39          2HB       CYS  39  11.333  21.614  -8.367
  311   2HB   CYS  39          3HB       CYS  39  12.490  20.589  -9.193
  312    H    GLY  40           HN       GLY  40  10.208  18.408  -6.466
  313   1HA   GLY  40          1HA       GLY  40   9.027  18.321  -4.446
  314   2HA   GLY  40          2HA       GLY  40   9.442  19.990  -4.114
  315    H    LYS  41           HN       LYS  41   8.472  19.206  -7.405
  316    HA   LYS  41           HA       LYS  41   6.034  20.737  -6.969
  317   1HB   LYS  41          2HB       LYS  41   7.985  20.790  -8.948
  318   2HB   LYS  41          3HB       LYS  41   6.659  19.942  -9.716
  319   1HG   LYS  41          2HG       LYS  41   6.282  22.285 -10.123
  320   2HG   LYS  41          3HG       LYS  41   5.106  21.803  -8.918
  321   1HD   LYS  41          2HD       LYS  41   7.546  22.613  -7.570
  322   2HD   LYS  41          3HD       LYS  41   7.093  23.861  -8.714
  323   1HE   LYS  41          2HE       LYS  41   4.845  22.735  -7.089
  324   2HE   LYS  41          3HE       LYS  41   6.038  23.648  -6.187
  325   1HZ   LYS  41          1HZ       LYS  41   4.321  24.600  -8.386
  326   2HZ   LYS  41          2HZ       LYS  41   4.565  25.278  -6.925
  327    H    GLU  42           HN       GLU  42   4.036  19.830  -6.926
  328    HA   GLU  42           HA       GLU  42   3.946  16.976  -7.215
  329   1HB   GLU  42          2HB       GLU  42   1.709  17.160  -6.224
  330   2HB   GLU  42          3HB       GLU  42   2.857  18.085  -5.277
  331   1HG   GLU  42          2HG       GLU  42   2.149  20.164  -6.559
  332   2HG   GLU  42          3HG       GLU  42   0.914  19.204  -7.351
  333    HE2  GLU  42           HE2      GLU  42   1.104  21.307  -5.023
  334    H    GLY  43           HN       GLY  43   3.270  15.931  -9.041
  335   1HA   GLY  43          1HA       GLY  43   1.276  16.028 -10.627
  336   2HA   GLY  43          2HA       GLY  43   1.957  17.567 -11.116
  337    H    HIS  44           HN       HIS  44   4.736  17.042 -11.052
  338    HA   HIS  44           HA       HIS  44   4.904  15.088 -13.219
  339   1HB   HIS  44          2HB       HIS  44   6.667  16.329 -14.126
  340   2HB   HIS  44          3HB       HIS  44   5.496  17.527 -13.615
  341    HD1  HIS  44           HD1      HIS  44   6.280  19.307 -11.991
  342    HD2  HIS  44           HD2      HIS  44   8.967  16.102 -12.311
  343    HE1  HIS  44           HE1      HIS  44   8.372  19.997 -10.702
  344    H    GLN  45           HN       GLN  45   7.271  14.090 -13.339
  345    HA   GLN  45           HA       GLN  45   7.985  13.349 -10.609
  346   1HB   GLN  45          2HB       GLN  45   8.513  11.060 -11.493
  347   2HB   GLN  45          3HB       GLN  45   6.812  11.467 -11.603
  348   1HG   GLN  45          2HG       GLN  45   6.820  11.426 -13.893
  349   2HG   GLN  45          3HG       GLN  45   8.344  12.285 -14.000
  350   1HE2  GLN  45          1HE2      GLN  45   7.108   9.737 -15.174
  351   2HE2  GLN  45          2HE2      GLN  45   8.346   8.534 -15.026
  352    H    MET  46           HN       MET  46  10.302  12.429 -10.478
  353    HA   MET  46           HA       MET  46  12.067  14.295 -11.338
  354   1HB   MET  46          2HB       MET  46  12.576  12.672  -9.556
  355   2HB   MET  46          3HB       MET  46  12.436  11.326 -10.670
  356   1HG   MET  46          2HG       MET  46  14.439  13.443 -11.397
  357   2HG   MET  46          3HG       MET  46  14.825  12.458 -10.000
  358   1HE   MET  46          3HE       MET  46  15.170  13.135 -13.234
  359   2HE   MET  46          1HE       MET  46  16.520  11.980 -13.333
  360   3HE   MET  46          2HE       MET  46  15.043  11.708 -14.289
  361    H    LYS  47           HN       LYS  47  11.337  11.077 -12.848
  362    HA   LYS  47           HA       LYS  47  13.202  11.186 -14.870
  363   1HB   LYS  47          2HB       LYS  47  11.573   9.308 -14.097
  364   2HB   LYS  47          3HB       LYS  47  10.459  10.000 -15.259
  365   1HG   LYS  47          2HG       LYS  47  13.207   9.653 -16.325
  366   2HG   LYS  47          3HG       LYS  47  12.454   8.146 -15.844
  367   1HD   LYS  47          2HD       LYS  47  10.956  10.161 -17.561
  368   2HD   LYS  47          3HD       LYS  47  12.061   9.009 -18.284
  369   1HE   LYS  47          2HE       LYS  47  10.164   7.789 -16.347
  370   2HE   LYS  47          3HE       LYS  47   9.380   8.522 -17.733
  371   1HZ   LYS  47          1HZ       LYS  47   9.937   6.294 -18.330
  372   2HZ   LYS  47          2HZ       LYS  47  11.002   7.223 -19.138
  373    H    ASP  48           HN       ASP  48  10.123  12.909 -14.470
  374    HA   ASP  48           HA       ASP  48  10.603  14.082 -17.097
  375   1HB   ASP  48          2HB       ASP  48   8.282  12.832 -16.088
  376   2HB   ASP  48          3HB       ASP  48   7.930  14.542 -15.946
  377    HD2  ASP  48           HD2      ASP  48   7.772  12.808 -19.478
  378    H    CYS  49           HN       CYS  49  11.888  14.890 -14.579
  379    HA   CYS  49           HA       CYS  49  10.601  16.846 -13.171
  380   1HB   CYS  49          2HB       CYS  49  12.832  15.847 -12.633
  381   2HB   CYS  49          3HB       CYS  49  13.548  16.823 -13.900
  382    H    THR  50           HN       THR  50   9.547  18.625 -13.987
  383    HA   THR  50           HA       THR  50  10.286  19.683 -16.559
  384    HB   THR  50           HB       THR  50   7.911  19.411 -15.705
  385    HG1  THR  50           HG1      THR  50   8.844  21.128 -17.262
  386   1HG2  THR  50          2HG2      THR  50   8.526  20.301 -13.322
  387   2HG2  THR  50          3HG2      THR  50   8.504  21.916 -14.070
  388   3HG2  THR  50          1HG2      THR  50   7.029  20.920 -14.060
  389    H    GLU  51           HN       GLU  51  11.790  19.919 -13.651
  390    HA   GLU  51           HA       GLU  51  12.987  22.381 -14.459
  391   1HB   GLU  51          2HB       GLU  51  10.883  22.596 -12.661
  392   2HB   GLU  51          3HB       GLU  51  12.264  22.503 -11.586
  393   1HG   GLU  51          2HG       GLU  51  13.204  24.262 -13.506
  394   2HG   GLU  51          3HG       GLU  51  11.495  24.652 -13.499
  395    HE2  GLU  51           HE2      GLU  51  12.882  26.621 -12.496
  396    H    ARG  52           HN       ARG  52  14.483  20.372 -14.748
  397    HA   ARG  52           HA       ARG  52  15.451  19.013 -12.584
  398   1HB   ARG  52          2HB       ARG  52  17.486  18.609 -14.052
  399   2HB   ARG  52          3HB       ARG  52  15.960  18.287 -14.853
  400   1HG   ARG  52          2HG       ARG  52  16.150  20.114 -16.275
  401   2HG   ARG  52          3HG       ARG  52  17.001  21.088 -15.094
  402   1HD   ARG  52          2HD       ARG  52  19.033  19.567 -15.423
  403   2HD   ARG  52          3HD       ARG  52  18.169  18.794 -16.739
  404    HE   ARG  52           HE       ARG  52  19.278  21.534 -16.731
  405   1HH1  ARG  52          2HH2      ARG  52  17.219  19.177 -18.394
  406   2HH1  ARG  52          1HH2      ARG  52  17.283  20.007 -19.913
  407    HH2  ARG  52           HH1      ARG  52  18.551  22.033 -20.091
  408    H    GLN  53           HN       GLN  53  17.187  19.361 -11.110
  409    HA   GLN  53           HA       GLN  53  19.085  21.324 -11.384
  410   1HB   GLN  53          2HB       GLN  53  16.762  22.633 -10.944
  411   2HB   GLN  53          3HB       GLN  53  17.182  22.299  -9.276
  412   1HG   GLN  53          2HG       GLN  53  19.598  23.180 -10.484
  413   2HG   GLN  53          3HG       GLN  53  18.359  24.243 -11.118
  414   1HE2  GLN  53          2HE2      GLN  53  17.631  25.908  -8.126
  415   2HE2  GLN  53          1HE2      GLN  53  17.158  25.547  -9.752
  416    H    ALA  54           HN       ALA  54  20.543  21.385  -9.514
  417    HA   ALA  54           HA       ALA  54  20.515  18.943  -8.085
  418   1HB   ALA  54          3HB       ALA  54  22.219  21.435  -8.149
  419   2HB   ALA  54          1HB       ALA  54  22.473  20.211  -6.881
  420   3HB   ALA  54          2HB       ALA  54  22.644  19.766  -8.596
  421    H    ASN  55           HN       ASN  55  20.310  22.405  -6.973
  422    HA   ASN  55           HA       ASN  55  19.595  23.245  -5.088
  423   1HB   ASN  55          2HB       ASN  55  17.447  22.759  -6.373
  424   2HB   ASN  55          3HB       ASN  55  17.287  21.268  -5.469
  425   1HD2  ASN  55          2HD2      ASN  55  15.319  22.945  -3.157
  426   2HD2  ASN  55          1HD2      ASN  55  15.493  21.693  -4.341
  427   1H5*    G 201          1H5*        G 201   0.344 -22.219  -2.559
  428   2H5*    G 201          2H5*        G 201   0.618 -20.639  -1.824
  429    H4*    G 201           H4*        G 201   1.645 -22.348  -0.478
  430    H3*    G 201           H3*        G 201   3.748 -20.741  -1.975
  431   1H2*    G 201          1H2*        G 201   5.260 -21.609  -0.414
  432   2HO*    G 201          2HO*        G 201   4.116 -21.105   1.434
  433    H1*    G 201           H1*        G 201   4.051 -24.140  -0.196
  434    H8     G 201           H8         G 201   4.850 -22.031  -3.312
  435    H1     G 201           H1         G 201   8.391 -27.396  -2.565
  436   1H2     G 201          1H2         G 201   7.812 -28.370  -0.842
  437   2H2     G 201          2H2         G 201   6.554 -27.814   0.240
  438   1H5*    G 202          1H5*        G 202   4.165 -19.062   1.562
  439   2H5*    G 202          2H5*        G 202   4.892 -17.456   1.586
  440    H4*    G 202           H4*        G 202   6.467 -19.231   2.232
  441    H3*    G 202           H3*        G 202   7.170 -17.808  -0.360
  442   1H2*    G 202          1H2*        G 202   9.333 -18.673  -0.038
  443   2HO*    G 202          2HO*        G 202   9.986 -19.007   2.068
  444    H1*    G 202           H1*        G 202   8.504 -21.175   0.889
  445    H8     G 202           H8         G 202   6.726 -19.322  -1.955
  446    H1     G 202           H1         G 202  10.840 -23.963  -3.805
  447   1H2     G 202          1H2         G 202  11.785 -24.746  -2.148
  448   2H2     G 202          2H2         G 202  11.506 -24.221  -0.502
  449   1H5*    A 203          1H5*        A 203   9.488 -16.767   2.452
  450   2H5*    A 203          2H5*        A 203  10.306 -15.235   2.758
  451    H4*    A 203           H4*        A 203  12.026 -16.747   2.308
  452    H3*    A 203           H3*        A 203  11.420 -15.119  -0.160
  453   1H2*    A 203          1H2*        A 203  13.229 -16.137  -1.248
  454   2HO*    A 203          2HO*        A 203  14.819 -17.196   0.131
  455    H1*    A 203           H1*        A 203  12.764 -18.704  -0.125
  456    H8     A 203           H8         A 203   9.959 -16.573  -1.596
  457   1H6     A 203          1H6         A 203  10.601 -20.094  -6.708
  458   2H6     A 203          2H6         A 203   9.652 -18.821  -5.974
  459    H2     A 203           H2         A 203  13.764 -21.257  -3.813
  460   1H5*    C 204          1H5*        C 204  15.500 -14.159   0.681
  461   2H5*    C 204          2H5*        C 204  16.016 -12.808  -0.329
  462    H4*    C 204           H4*        C 204  16.455 -15.476  -0.835
  463    H3*    C 204           H3*        C 204  16.609 -13.015  -2.551
  464   1H2*    C 204          1H2*        C 204  16.269 -14.325  -4.382
  465   2HO*    C 204          2HO*        C 204  18.388 -15.786  -3.088
  466    H1*    C 204           H1*        C 204  16.300 -16.987  -3.213
  467   1H4     C 204          1H4         C 204  10.761 -16.888  -6.349
  468   2H4     C 204          2H4         C 204  10.170 -15.616  -5.304
  469    H5     C 204           H5         C 204  11.469 -14.586  -3.622
  470    H6     C 204           H6         C 204  13.677 -14.522  -2.518
  471   1H5*    U 205          1H5*        U 205  20.821 -13.959  -3.487
  472   2H5*    U 205          2H5*        U 205  21.244 -12.422  -4.242
  473    H4*    U 205           H4*        U 205  20.778 -14.338  -5.808
  474    H3*    U 205           H3*        U 205  18.877 -12.010  -6.250
  475   1H2*    U 205          1H2*        U 205  19.065 -12.738  -8.489
  476   2HO*    U 205          2HO*        U 205  20.961 -14.053  -8.998
  477    H1*    U 205           H1*        U 205  19.136 -15.451  -7.883
  478    H3     U 205           H3         U 205  14.900 -15.383  -9.338
  479    H5     U 205           H5         U 205  14.758 -12.855  -6.001
  480    H6     U 205           H6         U 205  17.185 -13.144  -5.803
  481   1H5*    A 206          1H5*        A 206  21.062 -11.573  -8.955
  482   2H5*    A 206          2H5*        A 206  21.833 -10.032  -9.331
  483    H4*    A 206           H4*        A 206  20.740 -10.584 -11.299
  484    H3*    A 206           H3*        A 206  19.030  -8.676  -9.716
  485   1H2*    A 206          1H2*        A 206  17.407  -8.717 -11.378
  486   2HO*    A 206          2HO*        A 206  18.836 -10.028 -13.335
  487    H1*    A 206           H1*        A 206  17.956 -11.449 -12.146
  488    H8     A 206           H8         A 206  17.121 -10.463  -8.569
  489   1H6     A 206          1H6         A 206  11.289 -12.238  -9.908
  490   2H6     A 206          2H6         A 206  12.344 -11.689  -8.626
  491    H2     A 206           H2         A 206  13.695 -12.440 -13.639
  492   1H5*    G 207          1H5*        G 207  19.894  -7.307 -13.219
  493   2H5*    G 207          2H5*        G 207  19.866  -5.647 -13.814
  494    H4*    G 207           H4*        G 207  17.901  -6.672 -14.613
  495    H3*    G 207           H3*        G 207  17.117  -5.061 -12.155
  496   1H2*    G 207          1H2*        G 207  14.946  -5.251 -12.971
  497   2HO*    G 207          2HO*        G 207  16.316  -5.787 -15.448
  498    H1*    G 207           H1*        G 207  15.427  -7.777 -14.279
  499    H8     G 207           H8         G 207  16.202  -7.208 -10.598
  500    H1     G 207           H1         G 207  10.428  -9.879 -11.788
  501   1H2     G 207          1H2         G 207  10.091  -9.911 -13.822
  502   2H2     G 207          2H2         G 207  11.205  -9.304 -15.026
  503   1H5*    C 208          1H5*        C 208  17.475  -2.030 -15.662
  504   2H5*    C 208          2H5*        C 208  17.375  -0.351 -15.131
  505    H4*    C 208           H4*        C 208  15.508  -0.820 -16.548
  506    H3*    C 208           H3*        C 208  14.945  -0.307 -13.678
  507   1H2*    C 208          1H2*        C 208  12.659  -0.837 -13.860
  508   2HO*    C 208          2HO*        C 208  12.470  -1.420 -16.501
  509    H1*    C 208           H1*        C 208  13.172  -3.113 -15.523
  510   1H4     C 208          1H4         C 208  11.830  -5.779  -9.902
  511   2H4     C 208          2H4         C 208  13.258  -5.058  -9.194
  512    H5     C 208           H5         C 208  14.700  -3.587 -10.349
  513    H6     C 208           H6         C 208  15.132  -2.437 -12.491
  514   1H5*    G 209          1H5*        G 209  12.668   1.788 -16.073
  515   2H5*    G 209          2H5*        G 209  11.829   3.334 -15.958
  516    H4*    G 209           H4*        G 209  10.445   1.647 -14.989
  517    H3*    G 209           H3*        G 209  11.705   3.178 -12.680
  518   1H2*    G 209          1H2*        G 209   9.869   2.386 -11.506
  519   2HO*    G 209          2HO*        G 209   8.037   1.713 -13.206
  520    H1*    G 209           H1*        G 209   9.458   0.067 -13.146
  521    H8     G 209           H8         G 209  12.801   0.996 -11.548
  522    H1     G 209           H1         G 209   9.347  -3.436  -8.337
  523   1H2     G 209          1H2         G 209   7.514  -3.675  -9.252
  524   2H2     G 209          2H2         G 209   6.991  -2.805 -10.677
  525   1H5*    G 210          1H5*        G 210  10.873   6.210 -10.685
  526   2H5*    G 210          2H5*        G 210  10.574   4.649 -11.451
  527    H4*    G 210           H4*        G 210   8.483   4.851 -10.722
  528    H3*    G 210           H3*        G 210   8.487   6.211 -13.214
  529   1H2*    G 210          1H2*        G 210   7.764   8.275 -12.552
  530   2HO*    G 210          2HO*        G 210   5.703   7.676 -12.977
  531    H1*    G 210           H1*        G 210   6.866   7.656  -9.824
  532    H8     G 210           H8         G 210  10.192   8.514 -11.555
  533    H1     G 210           H1         G 210   8.226  12.690  -7.020
  534   1H2     G 210          1H2         G 210   6.440  12.044  -6.215
  535   2H2     G 210          2H2         G 210   5.601  10.586  -6.698
  536   1H5*    A 211          1H5*        A 211   7.681   1.758 -11.033
  537   2H5*    A 211          2H5*        A 211   6.174   2.180 -11.845
  538    H4*    A 211           H4*        A 211   6.447   0.533  -9.652
  539    H3*    A 211           H3*        A 211   4.361   1.258 -11.334
  540   1H2*    A 211          1H2*        A 211   3.605   3.023  -9.932
  541   2HO*    A 211          2HO*        A 211   2.430   0.690  -8.756
  542    H1*    A 211           H1*        A 211   4.080   1.209  -7.522
  543    H8     A 211           H8         A 211   5.236   4.719  -8.547
  544   1H6     A 211          1H6         A 211   2.470   6.622  -3.286
  545   2H6     A 211          2H6         A 211   3.420   7.147  -4.658
  546    H2     A 211           H2         A 211   1.764   2.257  -3.727
  547   1H5*    G 212          1H5*        G 212   2.763  -3.335  -8.787
  548   2H5*    G 212          2H5*        G 212   3.561  -1.777  -8.562
  549    H4*    G 212           H4*        G 212   5.216  -4.239  -9.008
  550    H3*    G 212           H3*        G 212   3.499  -3.852  -6.676
  551   1H2*    G 212          1H2*        G 212   5.107  -3.295  -5.163
  552   2HO*    G 212          2HO*        G 212   6.743  -5.118  -6.680
  553    H1*    G 212           H1*        G 212   7.302  -2.934  -7.087
  554    H8     G 212           H8         G 212   4.188  -0.916  -6.071
  555    H1     G 212           H1         G 212   9.887   1.871  -4.787
  556   1H2     G 212          1H2         G 212  11.415   0.622  -5.387
  557   2H2     G 212          2H2         G 212  11.186  -0.946  -6.127
  558   1H5*    G 213          1H5*        G 213   2.049  -5.192  -8.878
  559   2H5*    G 213          2H5*        G 213   1.009  -6.570  -9.244
  560    H4*    G 213           H4*        G 213   2.015  -5.956 -11.279
  561    H3*    G 213           H3*        G 213   3.507  -8.342 -10.138
  562   1H2*    G 213          1H2*        G 213   4.696  -8.386 -12.096
  563   2HO*    G 213          2HO*        G 213   3.330  -7.538 -14.025
  564    H1*    G 213           H1*        G 213   4.471  -5.790 -13.026
  565    H8     G 213           H8         G 213   4.985  -6.634  -9.318
  566    H1     G 213           H1         G 213  10.278  -4.696 -12.500
  567   1H2     G 213          1H2         G 213   9.815  -4.396 -14.487
  568   2H2     G 213          2H2         G 213   8.230  -4.633 -15.186
  569   1H5*    C 214          1H5*        C 214   1.672  -9.863 -13.737
  570   2H5*    C 214          2H5*        C 214   1.693 -11.624 -13.659
  571    H4*    C 214           H4*        C 214   3.156 -10.739 -15.419
  572    H3*    C 214           H3*        C 214   4.513 -12.224 -13.156
  573   1H2*    C 214          1H2*        C 214   6.470 -12.251 -14.477
  574   2HO*    C 214          2HO*        C 214   5.985 -11.319 -16.778
  575    H1*    C 214           H1*        C 214   6.301  -9.607 -15.291
  576   1H4     C 214          1H4         C 214   9.720  -8.981  -9.967
  577   2H4     C 214          2H4         C 214   8.385  -9.569  -9.001
  578    H5     C 214           H5         C 214   6.328 -10.299  -9.905
  579    H6     C 214           H6         C 214   5.034 -10.648 -11.980
  580   1H5*    U 215          1H5*        U 215   5.006 -14.017 -16.395
  581   2H5*    U 215          2H5*        U 215   5.198 -15.737 -16.734
  582    H4*    U 215           H4*        U 215   7.285 -14.643 -17.126
  583    H3*    U 215           H3*        U 215   7.425 -16.174 -14.502
  584   1H2*    U 215          1H2*        U 215   9.699 -15.850 -14.647
  585   2HO*    U 215          2HO*        U 215  10.604 -15.878 -16.838
  586    H1*    U 215           H1*        U 215   9.772 -13.555 -16.271
  587    H3     U 215           H3         U 215  11.357 -11.670 -12.522
  588    H5     U 215           H5         U 215   7.481 -12.809 -11.416
  589    H6     U 215           H6         U 215   7.269 -13.863 -13.620
  590   1H5*    A 216          1H5*        A 216   9.161 -18.103 -17.433
  591   2H5*    A 216          2H5*        A 216   9.494 -19.825 -17.607
  592    H4*    A 216           H4*        A 216  11.560 -18.630 -17.326
  593    H3*    A 216           H3*        A 216  10.735 -20.479 -15.133
  594   1H2*    A 216          1H2*        A 216  12.414 -19.786 -13.713
  595   2HO*    A 216          2HO*        A 216  13.630 -18.903 -16.172
  596    H1*    A 216           H1*        A 216  12.577 -17.132 -14.988
  597    H8     A 216           H8         A 216   9.530 -18.270 -13.060
  598   1H6     A 216          1H6         A 216  11.920 -15.141  -8.218
  599   2H6     A 216          2H6         A 216  10.516 -16.019  -8.785
  600    H2     A 216           H2         A 216  14.928 -15.152 -11.487
  601   1H5*    G 217          1H5*        G 217  14.364 -21.286 -16.118
  602   2H5*    G 217          2H5*        G 217  15.204 -22.819 -15.886
  603    H4*    G 217           H4*        G 217  15.899 -21.453 -14.115
  604    H3*    G 217           H3*        G 217  13.643 -23.142 -12.966
  605   1H2*    G 217          1H2*        G 217  14.567 -22.567 -10.914
  606   2HO*    G 217          2HO*        G 217  16.916 -22.106 -12.519
  607    H1*    G 217           H1*        G 217  15.690 -20.082 -11.927
  608    H8     G 217           H8         G 217  11.980 -20.874 -12.096
  609    H1     G 217           H1         G 217  13.775 -17.366  -6.963
  610   1H2     G 217          1H2         G 217  15.832 -17.230  -6.907
  611   2H2     G 217          2H2         G 217  16.910 -17.959  -8.076
  612   1H5*    U 218          1H5*        U 218  17.280 -24.750 -12.267
  613   2H5*    U 218          2H5*        U 218  17.664 -26.423 -11.862
  614    H4*    U 218           H4*        U 218  18.216 -25.129  -9.969
  615    H3*    U 218           H3*        U 218  15.612 -26.608  -9.577
  616   1H2*    U 218          1H2*        U 218  15.498 -25.802  -7.405
  617   2HO*    U 218          2HO*        U 218  17.416 -26.145  -6.453
  618    H1*    U 218           H1*        U 218  16.944 -23.356  -8.062
  619    H3     U 218           H3         U 218  13.339 -21.613  -5.969
  620    H5     U 218           H5         U 218  11.725 -23.348  -9.422
  621    H6     U 218           H6         U 218  13.950 -24.273  -9.879
  622   1H5*    C 219          1H5*        C 219  18.212 -28.060  -6.432
  623   2H5*    C 219          2H5*        C 219  17.712 -29.688  -5.977
  624    H4*    C 219           H4*        C 219  17.498 -28.106  -4.125
  625    H3*    C 219           H3*        C 219  14.990 -29.393  -5.184
  626   1H2*    C 219          1H2*        C 219  13.711 -28.278  -3.601
  627   2HO*    C 219          2HO*        C 219  15.258 -29.069  -1.995
  628    H1*    C 219           H1*        C 219  15.421 -25.953  -3.509
  629   1H4     C 219          1H4         C 219  10.150 -23.776  -6.346
  630   2H4     C 219          2H4         C 219  10.478 -24.770  -7.748
  631    H5     C 219           H5         C 219  12.271 -26.300  -7.887
  632    H6     C 219           H6         C 219  14.212 -27.264  -6.701
  633   1H5*    C 220          1H5*        C 220  15.016 -31.479  -1.120
  634   2H5*    C 220          2H5*        C 220  14.997 -33.162  -1.649
  635    H4*    C 220           H4*        C 220  13.183 -32.978  -0.195
  636    H3*    C 220           H3*        C 220  12.415 -33.070  -3.051
  637   1H2*    C 220          1H2*        C 220  10.163 -32.507  -2.678
  638   2HO*    C 220          2HO*        C 220   9.543 -33.550  -0.874
  639    H1*    C 220           H1*        C 220  10.858 -30.525  -0.705
  640   1H4     C 220          1H4         C 220   9.154 -26.897  -5.641
  641   2H4     C 220          2H4         C 220  10.378 -27.637  -6.648
  642    H5     C 220           H5         C 220  11.788 -29.390  -5.931
  643    H6     C 220           H6         C 220  12.378 -30.879  -4.051
   
  No H/Q in entry =         643
  Start of MODEL   15
    1    H    MET   1           HN       MET   1  -0.759 -12.468   1.510
    2    HA   MET   1           HA       MET   1  -1.442  -9.705   1.544
    3   1HB   MET   1          2HB       MET   1  -3.295 -10.901   2.876
    4   2HB   MET   1          3HB       MET   1  -2.063 -11.432   4.002
    5   1HG   MET   1          2HG       MET   1  -1.927  -9.377   5.007
    6   2HG   MET   1          3HG       MET   1  -1.924  -8.525   3.476
    7   1HE   MET   1          2HE       MET   1  -3.742  -8.224   2.026
    8   2HE   MET   1          3HE       MET   1  -5.454  -8.039   2.475
    9   3HE   MET   1          1HE       MET   1  -4.254  -6.849   3.031
   10    H    GLN   2           HN       GLN   2   0.995 -10.873   0.983
   11    HA   GLN   2           HA       GLN   2   2.464 -10.256   3.421
   12   1HB   GLN   2          2HB       GLN   2   2.378 -12.779   2.069
   13   2HB   GLN   2          3HB       GLN   2   3.966 -12.101   1.771
   14   1HG   GLN   2          2HG       GLN   2   2.659 -12.483   4.506
   15   2HG   GLN   2          3HG       GLN   2   3.981 -13.431   3.852
   16   1HE2  GLN   2          2HE2      GLN   2   4.608  -9.920   5.768
   17   2HE2  GLN   2          1HE2      GLN   2   3.071 -10.703   5.611
   18    H    LYS   3           HN       LYS   3   2.532 -10.578  -0.184
   19    HA   LYS   3           HA       LYS   3   3.335  -9.163  -1.705
   20   1HB   LYS   3          2HB       LYS   3   3.045  -7.451   0.396
   21   2HB   LYS   3          3HB       LYS   3   4.772  -7.337   0.128
   22   1HG   LYS   3          2HG       LYS   3   3.935  -5.698  -1.341
   23   2HG   LYS   3          3HG       LYS   3   4.156  -7.071  -2.408
   24   1HD   LYS   3          2HD       LYS   3   1.509  -7.088  -1.099
   25   2HD   LYS   3          3HD       LYS   3   1.775  -5.632  -2.038
   26   1HE   LYS   3          2HE       LYS   3   2.552  -7.172  -3.964
   27   2HE   LYS   3          3HE       LYS   3   1.937  -8.515  -3.019
   28   1HZ   LYS   3          1HZ       LYS   3   0.355  -7.381  -4.682
   29   2HZ   LYS   3          2HZ       LYS   3  -0.245  -7.716  -3.206
   30    H    GLY   4           HN       GLY   4   4.542 -11.345  -1.820
   31   1HA   GLY   4          1HA       GLY   4   7.120 -11.658  -0.800
   32   2HA   GLY   4          2HA       GLY   4   6.457 -12.449  -2.217
   33    H    ASN   5           HN       ASN   5   5.873  -9.859  -3.633
   34    HA   ASN   5           HA       ASN   5   8.192  -9.682  -5.065
   35   1HB   ASN   5          2HB       ASN   5   5.723  -8.789  -5.512
   36   2HB   ASN   5          3HB       ASN   5   6.315  -7.305  -4.793
   37   1HD2  ASN   5          2HD2      ASN   5   7.951  -6.171  -7.614
   38   2HD2  ASN   5          1HD2      ASN   5   7.289  -5.892  -6.037
   39    H    PHE   6           HN       PHE   6   7.394  -8.444  -1.933
   40    HA   PHE   6           HA       PHE   6   8.718  -6.014  -1.876
   41   1HB   PHE   6          2HB       PHE   6   7.265  -6.822  -0.060
   42   2HB   PHE   6          3HB       PHE   6   8.214  -8.282   0.127
   43    HD1  PHE   6           HD2      PHE   6  10.378  -8.219   1.281
   44    HD2  PHE   6           HD1      PHE   6   7.966  -4.744   0.948
   45    HE1  PHE   6           HE2      PHE   6  11.722  -7.113   3.090
   46    HE2  PHE   6           HE1      PHE   6   9.309  -3.638   2.758
   47    HZ   PHE   6           HZ       PHE   6  11.171  -4.836   3.807
   48    H    ARG   7           HN       ARG   7   9.992  -9.178  -2.374
   49    HA   ARG   7           HA       ARG   7  12.339  -9.084  -0.994
   50   1HB   ARG   7          2HB       ARG   7  13.112 -10.805  -2.507
   51   2HB   ARG   7          3HB       ARG   7  11.378 -11.019  -2.370
   52   1HG   ARG   7          2HG       ARG   7  11.777  -9.154  -4.499
   53   2HG   ARG   7          3HG       ARG   7  12.962 -10.423  -4.740
   54   1HD   ARG   7          2HD       ARG   7  11.181 -12.150  -4.626
   55   2HD   ARG   7          3HD       ARG   7   9.979 -10.921  -4.283
   56    HE   ARG   7           HE       ARG   7  11.174 -10.068  -6.658
   57   1HH1  ARG   7          2HH2      ARG   7   9.504 -13.012  -5.614
   58   2HH1  ARG   7          1HH2      ARG   7   8.906 -13.383  -7.197
   59    HH2  ARG   7           HH1      ARG   7   9.438 -11.926  -9.024
   60    H    ASN   8           HN       ASN   8  11.247  -7.097  -3.617
   61    HA   ASN   8           HA       ASN   8  13.527  -6.616  -5.019
   62   1HB   ASN   8          2HB       ASN   8  12.493  -4.320  -5.447
   63   2HB   ASN   8          3HB       ASN   8  11.403  -5.662  -5.735
   64   1HD2  ASN   8          2HD2      ASN   8  10.025  -2.795  -3.545
   65   2HD2  ASN   8          1HD2      ASN   8  11.070  -2.777  -4.927
   66    H    GLN   9           HN       GLN   9  12.731  -5.909  -1.699
   67    HA   GLN   9           HA       GLN   9  14.142  -3.568  -1.310
   68   1HB   GLN   9          2HB       GLN   9  13.614  -5.875   0.616
   69   2HB   GLN   9          3HB       GLN   9  14.188  -4.292   1.104
   70   1HG   GLN   9          2HG       GLN   9  11.790  -4.176  -0.638
   71   2HG   GLN   9          3HG       GLN   9  11.512  -5.039   0.861
   72   1HE2  GLN   9          2HE2      GLN   9  12.365  -2.232   2.990
   73   2HE2  GLN   9          1HE2      GLN   9  12.672  -3.927   2.808
   74    H    ARG  10           HN       ARG  10  15.264  -6.662  -2.234
   75    HA   ARG  10           HA       ARG  10  17.653  -6.724  -0.794
   76   1HB   ARG  10          2HB       ARG  10  18.324  -8.468  -2.423
   77   2HB   ARG  10          3HB       ARG  10  16.663  -8.718  -1.919
   78   1HG   ARG  10          2HG       ARG  10  15.826  -8.289  -4.012
   79   2HG   ARG  10          3HG       ARG  10  16.912  -6.942  -4.281
   80   1HD   ARG  10          2HD       ARG  10  18.417  -9.452  -4.211
   81   2HD   ARG  10          3HD       ARG  10  17.118  -9.556  -5.382
   82    HE   ARG  10           HE       ARG  10  18.117  -7.817  -6.657
   83   1HH1  ARG  10          2HH2      ARG  10  19.862  -8.300  -3.611
   84   2HH1  ARG  10          1HH2      ARG  10  21.228  -7.356  -4.101
   85    HH2  ARG  10           HH1      ARG  10  21.242  -6.349  -6.276
   86    H    LYS  11           HN       LYS  11  16.559  -4.563  -3.149
   87    HA   LYS  11           HA       LYS  11  19.321  -3.917  -3.901
   88   1HB   LYS  11          2HB       LYS  11  18.202  -4.954  -5.813
   89   2HB   LYS  11          3HB       LYS  11  16.868  -3.826  -5.683
   90   1HG   LYS  11          2HG       LYS  11  18.198  -1.969  -6.359
   91   2HG   LYS  11          3HG       LYS  11  19.701  -2.780  -5.970
   92   1HD   LYS  11          2HD       LYS  11  19.823  -3.253  -8.197
   93   2HD   LYS  11          3HD       LYS  11  18.640  -4.501  -7.862
   94   1HE   LYS  11          2HE       LYS  11  17.567  -3.336  -9.586
   95   2HE   LYS  11          3HE       LYS  11  16.873  -2.549  -8.183
   96   1HZ   LYS  11          1HZ       LYS  11  19.204  -1.166  -8.700
   97   2HZ   LYS  11          2HZ       LYS  11  18.564  -1.421 -10.176
   98    H    THR  12           HN       THR  12  18.008  -2.972  -1.568
   99    HA   THR  12           HA       THR  12  17.085  -1.125  -0.622
  100    HB   THR  12           HB       THR  12  19.678  -0.905  -1.056
  101    HG1  THR  12           HG1      THR  12  17.778   1.288  -0.620
  102   1HG2  THR  12          3HG2      THR  12  18.969   0.152  -3.469
  103   2HG2  THR  12          1HG2      THR  12  18.900   1.628  -2.477
  104   3HG2  THR  12          2HG2      THR  12  20.413   0.695  -2.580
  105    H    VAL  13           HN       VAL  13  15.339  -1.775  -2.597
  106    HA   VAL  13           HA       VAL  13  14.839  -0.195  -4.675
  107    HB   VAL  13           HB       VAL  13  12.404  -0.416  -4.051
  108   1HG1  VAL  13          1HG1      VAL  13  14.388  -2.538  -4.504
  109   2HG1  VAL  13          2HG1      VAL  13  12.866  -3.121  -3.789
  110   3HG1  VAL  13          3HG1      VAL  13  12.839  -2.217  -5.323
  111   1HG2  VAL  13          1HG2      VAL  13  13.611  -1.725  -1.594
  112   2HG2  VAL  13          2HG2      VAL  13  12.521  -0.319  -1.649
  113   3HG2  VAL  13          3HG2      VAL  13  11.921  -1.930  -2.110
  114    H    LYS  14           HN       LYS  14  13.611   1.798  -5.060
  115    HA   LYS  14           HA       LYS  14  14.092   3.710  -2.890
  116   1HB   LYS  14          2HB       LYS  14  14.470   5.357  -4.497
  117   2HB   LYS  14          3HB       LYS  14  15.254   3.941  -5.167
  118   1HG   LYS  14          2HG       LYS  14  12.711   3.641  -6.190
  119   2HG   LYS  14          3HG       LYS  14  12.822   5.388  -6.114
  120   1HD   LYS  14          2HD       LYS  14  15.301   4.221  -7.169
  121   2HD   LYS  14          3HD       LYS  14  13.915   3.706  -8.109
  122   1HE   LYS  14          2HE       LYS  14  14.286   5.709  -9.194
  123   2HE   LYS  14          3HE       LYS  14  13.283   6.333  -7.900
  124   1HZ   LYS  14          1HZ       LYS  14  15.059   7.639  -7.466
  125   2HZ   LYS  14          2HZ       LYS  14  15.767   6.335  -6.794
  126    H    CYS  15           HN       CYS  15  12.413   4.838  -1.983
  127    HA   CYS  15           HA       CYS  15   9.822   3.849  -2.413
  128   1HB   CYS  15          2HB       CYS  15  10.596   4.719  -0.239
  129   2HB   CYS  15          3HB       CYS  15  10.723   6.331  -0.914
  130    H    PHE  16           HN       PHE  16   8.620   4.288  -4.231
  131    HA   PHE  16           HA       PHE  16   9.247   6.527  -5.871
  132   1HB   PHE  16          2HB       PHE  16   7.335   4.184  -5.744
  133   2HB   PHE  16          3HB       PHE  16   6.833   5.522  -6.759
  134    HD1  PHE  16           HD1      PHE  16   9.479   6.388  -7.835
  135    HD2  PHE  16           HD2      PHE  16   7.840   2.512  -7.293
  136    HE1  PHE  16           HE1      PHE  16  10.920   5.519  -9.697
  137    HE2  PHE  16           HE2      PHE  16   9.282   1.642  -9.154
  138    HZ   PHE  16           HZ       PHE  16  10.805   3.156 -10.334
  139    H    ASN  17           HN       ASN  17   7.803   6.496  -2.924
  140    HA   ASN  17           HA       ASN  17   5.602   8.209  -3.677
  141   1HB   ASN  17          2HB       ASN  17   5.589   6.303  -1.832
  142   2HB   ASN  17          3HB       ASN  17   6.389   7.493  -0.824
  143   1HD2  ASN  17          2HD2      ASN  17   3.124   8.299   0.201
  144   2HD2  ASN  17          1HD2      ASN  17   4.579   7.430   0.555
  145    H    CYS  18           HN       CYS  18   8.208   8.171  -1.113
  146    HA   CYS  18           HA       CYS  18   8.172  11.042  -1.028
  147   1HB   CYS  18          2HB       CYS  18   9.837  10.766   0.786
  148   2HB   CYS  18          3HB       CYS  18   8.362   9.863   1.073
  149    H    GLY  19           HN       GLY  19  10.270   8.321  -2.119
  150   1HA   GLY  19          1HA       GLY  19  11.594   8.562  -4.068
  151   2HA   GLY  19          2HA       GLY  19  11.824  10.261  -3.702
  152    H    LYS  20           HN       LYS  20  11.978   7.763  -1.159
  153    HA   LYS  20           HA       LYS  20  14.801   8.437  -0.824
  154   1HB   LYS  20          2HB       LYS  20  12.754   8.437   0.983
  155   2HB   LYS  20          3HB       LYS  20  13.409   6.832   1.237
  156   1HG   LYS  20          2HG       LYS  20  15.748   7.999   1.302
  157   2HG   LYS  20          3HG       LYS  20  14.856   9.498   1.472
  158   1HD   LYS  20          2HD       LYS  20  14.177   9.019   3.624
  159   2HD   LYS  20          3HD       LYS  20  13.968   7.311   3.295
  160   1HE   LYS  20          2HE       LYS  20  15.838   7.296   4.722
  161   2HE   LYS  20          3HE       LYS  20  16.596   7.245   3.143
  162   1HZ   LYS  20          1HZ       LYS  20  16.792   9.281   5.104
  163   2HZ   LYS  20          2HZ       LYS  20  17.640   9.132   3.722
  164    H    GLU  21           HN       GLU  21  15.740   6.214   0.536
  165    HA   GLU  21           HA       GLU  21  15.203   4.016  -1.287
  166   1HB   GLU  21          2HB       GLU  21  17.690   5.555  -1.071
  167   2HB   GLU  21          3HB       GLU  21  17.965   3.856  -0.742
  168   1HG   GLU  21          2HG       GLU  21  17.242   3.176  -2.882
  169   2HG   GLU  21          3HG       GLU  21  16.257   4.605  -3.121
  170    HE2  GLU  21           HE2      GLU  21  17.975   4.325  -5.218
  171    H    GLY  22           HN       GLY  22  14.930   2.082  -0.224
  172   1HA   GLY  22          1HA       GLY  22  15.916   0.618   1.501
  173   2HA   GLY  22          2HA       GLY  22  15.825   1.983   2.596
  174    H    HIS  23           HN       HIS  23  13.202   1.956   0.347
  175    HA   HIS  23           HA       HIS  23  11.518   0.102   1.568
  176   1HB   HIS  23          2HB       HIS  23  10.194   1.328   3.036
  177   2HB   HIS  23          3HB       HIS  23  11.829   1.808   3.449
  178    HD1  HIS  23           HD1      HIS  23  12.568   4.257   2.842
  179    HD2  HIS  23           HD2      HIS  23   8.567   3.362   1.954
  180    HE1  HIS  23           HE1      HIS  23  11.419   6.490   2.390
  181    H    ILE  24           HN       ILE  24   9.275   0.263   0.686
  182    HA   ILE  24           HA       ILE  24   9.315   1.828  -1.799
  183    HB   ILE  24           HB       ILE  24   8.028   0.136  -2.823
  184   1HG1  ILE  24          2HG1      ILE  24   7.854  -1.307  -0.163
  185   2HG1  ILE  24          3HG1      ILE  24   6.569  -0.329  -0.844
  186   1HG2  ILE  24          3HG2      ILE  24  10.579  -0.431  -1.610
  187   2HG2  ILE  24          1HG2      ILE  24   9.627  -1.927  -1.768
  188   3HG2  ILE  24          2HG2      ILE  24   9.943  -0.919  -3.200
  189   1HD1  ILE  24          3HD1      ILE  24   7.834  -2.702  -2.290
  190   2HD1  ILE  24          1HD1      ILE  24   6.336  -2.795  -1.333
  191   3HD1  ILE  24          2HD1      ILE  24   6.394  -1.786  -2.798
  192    H    ALA  25           HN       ALA  25   7.152   2.614  -2.551
  193    HA   ALA  25           HA       ALA  25   5.949   4.198  -0.679
  194   1HB   ALA  25          1HB       ALA  25   5.768   4.474  -3.123
  195   2HB   ALA  25          2HB       ALA  25   4.760   3.011  -3.219
  196   3HB   ALA  25          3HB       ALA  25   4.158   4.452  -2.364
  197    H    LYS  26           HN       LYS  26   5.266   0.798  -1.569
  198    HA   LYS  26           HA       LYS  26   2.801   0.573  -0.298
  199   1HB   LYS  26          2HB       LYS  26   4.914  -1.570  -0.666
  200   2HB   LYS  26          3HB       LYS  26   3.204  -1.826  -0.390
  201   1HG   LYS  26          2HG       LYS  26   3.930  -0.046  -2.696
  202   2HG   LYS  26          3HG       LYS  26   4.310  -1.747  -2.877
  203   1HD   LYS  26          2HD       LYS  26   1.641  -1.477  -1.747
  204   2HD   LYS  26          3HD       LYS  26   1.762  -0.482  -3.185
  205   1HE   LYS  26          2HE       LYS  26   2.615  -2.439  -4.481
  206   2HE   LYS  26          3HE       LYS  26   2.531  -3.438  -3.045
  207   1HZ   LYS  26          1HZ       LYS  26   0.542  -3.615  -4.516
  208   2HZ   LYS  26          2HZ       LYS  26   0.149  -3.168  -3.000
  209    H    ASN  27           HN       ASN  27   6.175   0.175   0.923
  210    HA   ASN  27           HA       ASN  27   5.107  -0.319   3.549
  211   1HB   ASN  27          2HB       ASN  27   7.920  -0.288   2.362
  212   2HB   ASN  27          3HB       ASN  27   7.669  -0.409   4.092
  213   1HD2  ASN  27          2HD2      ASN  27   6.298  -3.446   1.607
  214   2HD2  ASN  27          1HD2      ASN  27   6.324  -1.793   1.092
  215    H    CYS  28           HN       CYS  28   5.411   2.356   1.696
  216    HA   CYS  28           HA       CYS  28   6.956   4.030   3.421
  217   1HB   CYS  28          2HB       CYS  28   6.880   4.411   0.983
  218   2HB   CYS  28          3HB       CYS  28   5.162   4.741   1.076
  219    H    ARG  29           HN       ARG  29   6.156   5.405   5.039
  220    HA   ARG  29           HA       ARG  29   3.582   4.784   5.992
  221   1HB   ARG  29          2HB       ARG  29   4.131   6.503   7.758
  222   2HB   ARG  29          3HB       ARG  29   5.387   5.296   7.568
  223   1HG   ARG  29          2HG       ARG  29   6.885   6.945   7.165
  224   2HG   ARG  29          3HG       ARG  29   6.017   7.354   5.699
  225   1HD   ARG  29          2HD       ARG  29   4.876   9.129   6.692
  226   2HD   ARG  29          3HD       ARG  29   4.844   8.372   8.272
  227    HE   ARG  29           HE       ARG  29   7.016  10.024   7.159
  228   1HH1  ARG  29          2HH2      ARG  29   6.076   7.730   9.690
  229   2HH1  ARG  29          1HH2      ARG  29   7.356   8.195  10.760
  230    HH2  ARG  29           HH1      ARG  29   8.888   9.907  10.082
  231    H    ALA  30           HN       ALA  30   5.046   7.351   4.020
  232    HA   ALA  30           HA       ALA  30   3.048   9.295   4.375
  233   1HB   ALA  30          2HB       ALA  30   5.469   9.376   3.337
  234   2HB   ALA  30          3HB       ALA  30   4.623   8.975   1.823
  235   3HB   ALA  30          1HB       ALA  30   4.201  10.458   2.714
  236    HA   PRO  31           HA       PRO  31  -0.130   7.698   1.913
  237   1HB   PRO  31          2HB       PRO  31  -1.497   9.973   1.263
  238   2HB   PRO  31          3HB       PRO  31  -1.661   9.165   2.809
  239   1HG   PRO  31          2HG       PRO  31  -0.213  11.661   2.167
  240   2HG   PRO  31          3HG       PRO  31  -0.744  11.072   3.729
  241   1HD   PRO  31          2HD       PRO  31   1.929  11.010   2.690
  242   2HD   PRO  31          3HD       PRO  31   1.375  10.317   4.203
  243    H    ARG  32           HN       ARG  32  -1.062   7.434  -0.213
  244    HA   ARG  32           HA       ARG  32   0.898   7.496  -2.105
  245   1HB   ARG  32          2HB       ARG  32  -2.055   7.076  -2.058
  246   2HB   ARG  32          3HB       ARG  32  -1.428   7.562  -3.622
  247   1HG   ARG  32          2HG       ARG  32  -1.168   5.247  -3.772
  248   2HG   ARG  32          3HG       ARG  32   0.409   5.699  -3.157
  249   1HD   ARG  32          2HD       ARG  32  -1.087   5.424  -0.812
  250   2HD   ARG  32          3HD       ARG  32  -1.756   4.167  -1.833
  251    HE   ARG  32           HE       ARG  32   1.010   3.913  -2.143
  252   1HH1  ARG  32          2HH2      ARG  32  -1.232   3.821   0.598
  253   2HH1  ARG  32          1HH2      ARG  32  -0.244   2.746   1.531
  254    HH2  ARG  32           HH1      ARG  32   1.838   1.982   0.622
  255    H    LYS  33           HN       LYS  33   1.939   9.409  -2.678
  256    HA   LYS  33           HA       LYS  33   0.189  11.596  -3.566
  257   1HB   LYS  33          2HB       LYS  33   2.459  11.593  -1.668
  258   2HB   LYS  33          3HB       LYS  33   2.504  12.864  -2.873
  259   1HG   LYS  33          2HG       LYS  33  -0.137  12.355  -1.522
  260   2HG   LYS  33          3HG       LYS  33   1.119  13.105  -0.557
  261   1HD   LYS  33          2HD       LYS  33   1.184  15.040  -1.878
  262   2HD   LYS  33          3HD       LYS  33   0.640  14.209  -3.322
  263   1HE   LYS  33          2HE       LYS  33  -1.652  14.018  -2.383
  264   2HE   LYS  33          3HE       LYS  33  -1.124  14.764  -0.887
  265   1HZ   LYS  33          1HZ       LYS  33  -1.585  16.721  -1.863
  266   2HZ   LYS  33          2HZ       LYS  33  -0.346  16.502  -2.897
  267    H    LYS  34           HN       LYS  34   1.871  13.204  -4.911
  268    HA   LYS  34           HA       LYS  34   3.478  11.519  -6.658
  269   1HB   LYS  34          2HB       LYS  34   2.403  12.343  -8.671
  270   2HB   LYS  34          3HB       LYS  34   1.241  11.506  -7.663
  271   1HG   LYS  34          2HG       LYS  34   0.680  13.868  -6.682
  272   2HG   LYS  34          3HG       LYS  34   1.551  14.505  -8.063
  273   1HD   LYS  34          2HD       LYS  34  -0.250  14.175  -9.396
  274   2HD   LYS  34          3HD       LYS  34  -0.244  12.461  -9.027
  275   1HE   LYS  34          2HE       LYS  34  -2.209  12.785  -7.933
  276   2HE   LYS  34          3HE       LYS  34  -1.299  13.624  -6.693
  277   1HZ   LYS  34          1HZ       LYS  34  -1.964  15.650  -7.491
  278   2HZ   LYS  34          2HZ       LYS  34  -1.988  15.194  -9.054
  279    H    GLY  35           HN       GLY  35   4.573  13.085  -4.739
  280   1HA   GLY  35          1HA       GLY  35   5.087  15.729  -5.868
  281   2HA   GLY  35          2HA       GLY  35   5.576  15.125  -4.297
  282    H    CYS  36           HN       CYS  36   6.754  16.051  -7.267
  283    HA   CYS  36           HA       CYS  36   8.550  14.054  -7.941
  284   1HB   CYS  36          2HB       CYS  36   8.135  15.764  -9.531
  285   2HB   CYS  36          3HB       CYS  36   8.544  17.042  -8.403
  286    H    TRP  37           HN       TRP  37  10.208  13.232  -6.714
  287    HA   TRP  37           HA       TRP  37  11.121  14.723  -4.423
  288   1HB   TRP  37          2HB       TRP  37  12.616  12.326  -4.923
  289   2HB   TRP  37          3HB       TRP  37  11.554  12.727  -3.588
  290    HD1  TRP  37           HD1      TRP  37   8.830  12.110  -4.037
  291    HE1  TRP  37           HE1      TRP  37   7.676  10.133  -5.350
  292    HE3  TRP  37           HE3      TRP  37  12.902  10.889  -6.826
  293    HZ2  TRP  37           HZ2      TRP  37   8.576   8.321  -7.362
  294    HZ3  TRP  37           HZ3      TRP  37  12.680   9.004  -8.442
  295    HH2  TRP  37           HH2      TRP  37  10.610   7.736  -8.733
  296    H    LYS  38           HN       LYS  38  11.595  16.065  -6.907
  297    HA   LYS  38           HA       LYS  38  14.522  15.944  -6.941
  298   1HB   LYS  38          2HB       LYS  38  12.960  15.003  -9.023
  299   2HB   LYS  38          3HB       LYS  38  13.312  16.644  -9.524
  300   1HG   LYS  38          2HG       LYS  38  15.362  14.538  -8.692
  301   2HG   LYS  38          3HG       LYS  38  15.076  15.112 -10.322
  302   1HD   LYS  38          2HD       LYS  38  16.276  17.041  -9.996
  303   2HD   LYS  38          3HD       LYS  38  15.621  17.297  -8.390
  304   1HE   LYS  38          2HE       LYS  38  17.718  16.718  -7.674
  305   2HE   LYS  38          3HE       LYS  38  17.176  15.072  -7.935
  306   1HZ   LYS  38          1HZ       LYS  38  18.796  16.734  -9.768
  307   2HZ   LYS  38          2HZ       LYS  38  19.161  15.266  -9.163
  308    H    CYS  39           HN       CYS  39  11.528  17.795  -7.793
  309    HA   CYS  39           HA       CYS  39  13.068  20.226  -7.261
  310   1HB   CYS  39          2HB       CYS  39  11.234  21.393  -8.515
  311   2HB   CYS  39          3HB       CYS  39  12.189  20.286  -9.481
  312    H    GLY  40           HN       GLY  40  10.227  18.217  -6.459
  313   1HA   GLY  40          1HA       GLY  40   9.301  18.162  -4.316
  314   2HA   GLY  40          2HA       GLY  40   9.853  19.799  -4.018
  315    H    LYS  41           HN       LYS  41   8.343  18.993  -7.127
  316    HA   LYS  41           HA       LYS  41   6.102  20.703  -6.367
  317   1HB   LYS  41          2HB       LYS  41   7.763  20.693  -8.588
  318   2HB   LYS  41          3HB       LYS  41   6.315  19.901  -9.180
  319   1HG   LYS  41          2HG       LYS  41   5.709  22.120  -9.526
  320   2HG   LYS  41          3HG       LYS  41   5.070  21.894  -7.909
  321   1HD   LYS  41          2HD       LYS  41   7.199  22.830  -6.952
  322   2HD   LYS  41          3HD       LYS  41   7.805  23.085  -8.577
  323   1HE   LYS  41          2HE       LYS  41   6.778  25.107  -8.598
  324   2HE   LYS  41          3HE       LYS  41   5.230  24.286  -8.561
  325   1HZ   LYS  41          1HZ       LYS  41   6.793  25.216  -6.221
  326   2HZ   LYS  41          2HZ       LYS  41   5.304  25.701  -6.667
  327    H    GLU  42           HN       GLU  42   4.076  19.909  -6.070
  328    HA   GLU  42           HA       GLU  42   3.797  17.063  -6.360
  329   1HB   GLU  42          2HB       GLU  42   1.719  17.357  -5.071
  330   2HB   GLU  42          3HB       GLU  42   3.054  18.167  -4.273
  331   1HG   GLU  42          2HG       GLU  42   2.005  20.122  -6.025
  332   2HG   GLU  42          3HG       GLU  42   0.588  19.310  -5.391
  333    HE2  GLU  42           HE2      GLU  42   0.463  20.998  -2.762
  334    H    GLY  43           HN       GLY  43   3.017  16.175  -8.219
  335   1HA   GLY  43          1HA       GLY  43   0.740  16.402  -9.463
  336   2HA   GLY  43          2HA       GLY  43   1.474  17.887 -10.035
  337    H    HIS  44           HN       HIS  44   4.141  17.252 -10.439
  338    HA   HIS  44           HA       HIS  44   3.889  15.270 -12.566
  339   1HB   HIS  44          2HB       HIS  44   5.618  16.387 -13.696
  340   2HB   HIS  44          3HB       HIS  44   4.582  17.651 -13.065
  341    HD1  HIS  44           HD1      HIS  44   5.580  19.283 -11.341
  342    HD2  HIS  44           HD2      HIS  44   8.172  16.157 -12.393
  343    HE1  HIS  44           HE1      HIS  44   7.863  19.894 -10.380
  344    H    GLN  45           HN       GLN  45   6.311  14.280 -13.007
  345    HA   GLN  45           HA       GLN  45   7.294  13.424 -10.405
  346   1HB   GLN  45          2HB       GLN  45   7.359  11.118 -11.081
  347   2HB   GLN  45          3HB       GLN  45   5.749  11.701 -11.457
  348   1HG   GLN  45          2HG       GLN  45   7.159  12.295 -13.793
  349   2HG   GLN  45          3HG       GLN  45   7.895  10.788 -13.285
  350   1HE2  GLN  45          2HE2      GLN  45   5.363   8.886 -14.649
  351   2HE2  GLN  45          1HE2      GLN  45   7.040   9.162 -14.317
  352    H    MET  46           HN       MET  46   9.540  12.346 -10.614
  353    HA   MET  46           HA       MET  46  11.268  14.098 -11.763
  354   1HB   MET  46          2HB       MET  46  11.574  12.097 -10.044
  355   2HB   MET  46          3HB       MET  46  11.914  11.131 -11.466
  356   1HG   MET  46          2HG       MET  46  13.820  12.515 -12.065
  357   2HG   MET  46          3HG       MET  46  13.383  13.743 -10.893
  358   1HE   MET  46          1HE       MET  46  15.451  11.315 -11.884
  359   2HE   MET  46          2HE       MET  46  16.439  10.886 -10.467
  360   3HE   MET  46          3HE       MET  46  15.075   9.849 -10.948
  361    H    LYS  47           HN       LYS  47   9.853  11.087 -13.132
  362    HA   LYS  47           HA       LYS  47  11.474  10.846 -15.354
  363   1HB   LYS  47          2HB       LYS  47   9.863   9.153 -14.552
  364   2HB   LYS  47          3HB       LYS  47   8.531  10.168 -15.070
  365   1HG   LYS  47          2HG       LYS  47  10.507   9.803 -17.221
  366   2HG   LYS  47          3HG       LYS  47   9.899   8.265 -16.640
  367   1HD   LYS  47          2HD       LYS  47   7.934  10.501 -17.192
  368   2HD   LYS  47          3HD       LYS  47   8.599   9.605 -18.543
  369   1HE   LYS  47          2HE       LYS  47   7.795   7.473 -17.581
  370   2HE   LYS  47          3HE       LYS  47   7.230   8.300 -16.143
  371   1HZ   LYS  47          1HZ       LYS  47   5.387   8.010 -17.641
  372   2HZ   LYS  47          2HZ       LYS  47   5.725   9.603 -17.629
  373    H    ASP  48           HN       ASP  48   8.786  13.075 -14.644
  374    HA   ASP  48           HA       ASP  48   9.292  14.253 -17.263
  375   1HB   ASP  48          2HB       ASP  48   6.902  13.177 -16.457
  376   2HB   ASP  48          3HB       ASP  48   6.699  14.814 -15.868
  377    HD2  ASP  48           HD2      ASP  48   5.406  15.923 -18.141
  378    H    CYS  49           HN       CYS  49  10.811  14.864 -14.901
  379    HA   CYS  49           HA       CYS  49   9.777  16.871 -13.318
  380   1HB   CYS  49          2HB       CYS  49  11.891  15.604 -12.896
  381   2HB   CYS  49          3HB       CYS  49  12.673  16.529 -14.163
  382    H    THR  50           HN       THR  50   8.920  18.799 -14.020
  383    HA   THR  50           HA       THR  50   9.774  19.881 -16.567
  384    HB   THR  50           HB       THR  50   7.359  19.745 -15.860
  385    HG1  THR  50           HG1      THR  50   7.202  21.666 -16.968
  386   1HG2  THR  50          2HG2      THR  50   8.441  21.097 -13.481
  387   2HG2  THR  50          3HG2      THR  50   7.159  22.063 -14.250
  388   3HG2  THR  50          1HG2      THR  50   6.823  20.394 -13.730
  389    H    GLU  51           HN       GLU  51  11.242  19.850 -13.662
  390    HA   GLU  51           HA       GLU  51  12.674  22.201 -14.294
  391   1HB   GLU  51          2HB       GLU  51  12.273  23.288 -12.015
  392   2HB   GLU  51          3HB       GLU  51  10.951  23.407 -13.160
  393   1HG   GLU  51          2HG       GLU  51   9.945  21.315 -12.073
  394   2HG   GLU  51          3HG       GLU  51  11.185  21.435 -10.840
  395    HE1  GLU  51           HE2      GLU  51   9.788  24.547  -9.666
  396    H    ARG  52           HN       ARG  52  14.367  20.594 -14.399
  397    HA   ARG  52           HA       ARG  52  14.866  18.917 -12.218
  398   1HB   ARG  52          2HB       ARG  52  16.988  18.398 -13.410
  399   2HB   ARG  52          3HB       ARG  52  15.634  18.394 -14.521
  400   1HG   ARG  52          2HG       ARG  52  16.353  20.290 -15.636
  401   2HG   ARG  52          3HG       ARG  52  16.991  21.036 -14.185
  402   1HD   ARG  52          2HD       ARG  52  19.089  20.235 -14.580
  403   2HD   ARG  52          3HD       ARG  52  18.499  18.607 -14.849
  404    HE   ARG  52           HE       ARG  52  17.977  20.485 -17.062
  405   1HH1  ARG  52          2HH2      ARG  52  20.175  18.044 -15.733
  406   2HH1  ARG  52          1HH2      ARG  52  20.919  17.704 -17.259
  407    HH2  ARG  52           HH1      ARG  52  20.189  18.888 -19.211
  408    H    GLN  53           HN       GLN  53  16.661  19.023 -10.670
  409    HA   GLN  53           HA       GLN  53  18.467  21.082 -10.562
  410   1HB   GLN  53          2HB       GLN  53  16.106  22.255 -10.078
  411   2HB   GLN  53          3HB       GLN  53  16.385  21.648  -8.459
  412   1HG   GLN  53          2HG       GLN  53  17.285  23.958  -8.755
  413   2HG   GLN  53          3HG       GLN  53  18.543  22.815  -8.326
  414   1HE2  GLN  53          2HE2      GLN  53  20.270  24.509 -10.918
  415   2HE2  GLN  53          1HE2      GLN  53  19.938  24.474  -9.217
  416    H    ALA  54           HN       ALA  54  19.583  21.165  -8.323
  417    HA   ALA  54           HA       ALA  54  19.306  18.507  -7.104
  418   1HB   ALA  54          3HB       ALA  54  21.460  19.133  -8.302
  419   2HB   ALA  54          1HB       ALA  54  21.710  20.366  -7.044
  420   3HB   ALA  54          2HB       ALA  54  21.651  18.644  -6.601
  421    H    ASN  55           HN       ASN  55  17.358  19.919  -6.119
  422    HA   ASN  55           HA       ASN  55  17.823  20.133  -3.478
  423   1HB   ASN  55          2HB       ASN  55  17.714  22.712  -3.195
  424   2HB   ASN  55          3HB       ASN  55  19.263  22.045  -3.674
  425   1HD2  ASN  55          2HD2      ASN  55  16.990  24.357  -6.223
  426   2HD2  ASN  55          1HD2      ASN  55  16.356  23.679  -4.762
  427   1H5*    G 201          1H5*        G 201  -0.652 -19.970  -4.668
  428   2H5*    G 201          2H5*        G 201   0.763 -19.101  -5.260
  429    H4*    G 201           H4*        G 201   0.546 -20.391  -2.843
  430    H3*    G 201           H3*        G 201   2.986 -19.540  -4.419
  431   1H2*    G 201          1H2*        G 201   4.312 -20.313  -2.639
  432   2HO*    G 201          2HO*        G 201   2.908 -19.285  -1.103
  433    H1*    G 201           H1*        G 201   2.823 -22.633  -2.162
  434    H8     G 201           H8         G 201   4.032 -20.964  -5.407
  435    H1     G 201           H1         G 201   6.560 -26.784  -4.133
  436   1H2     G 201          1H2         G 201   5.751 -27.519  -2.385
  437   2H2     G 201          2H2         G 201   4.564 -26.683  -1.409
  438   1H5*    G 202          1H5*        G 202   2.425 -17.322  -0.904
  439   2H5*    G 202          2H5*        G 202   3.063 -15.702  -0.622
  440    H4*    G 202           H4*        G 202   4.155 -17.090   0.923
  441    H3*    G 202           H3*        G 202   5.869 -16.291  -1.383
  442   1H2*    G 202          1H2*        G 202   7.662 -17.637  -0.680
  443   2HO*    G 202          2HO*        G 202   6.275 -18.397   1.674
  444    H1*    G 202           H1*        G 202   6.047 -19.848   0.016
  445    H8     G 202           H8         G 202   5.532 -17.837  -3.195
  446    H1     G 202           H1         G 202   8.912 -23.315  -3.871
  447   1H2     G 202          1H2         G 202   9.217 -24.169  -2.019
  448   2H2     G 202          2H2         G 202   8.643 -23.500  -0.508
  449   1H5*    A 203          1H5*        A 203   8.640 -16.643   2.338
  450   2H5*    A 203          2H5*        A 203   9.182 -14.966   2.308
  451    H4*    A 203           H4*        A 203  11.117 -16.315   2.476
  452    H3*    A 203           H3*        A 203  10.709 -14.964  -0.132
  453   1H2*    A 203          1H2*        A 203  12.459 -16.099  -1.208
  454   2HO*    A 203          2HO*        A 203  13.051 -17.052   1.448
  455    H1*    A 203           H1*        A 203  11.842 -18.617  -0.053
  456    H8     A 203           H8         A 203   9.158 -16.334  -1.525
  457   1H6     A 203          1H6         A 203   9.545 -19.938  -6.605
  458   2H6     A 203          2H6         A 203   8.681 -18.604  -5.877
  459    H2     A 203           H2         A 203  12.656 -21.262  -3.721
  460   1H5*    C 204          1H5*        C 204  14.837 -14.980   0.859
  461   2H5*    C 204          2H5*        C 204  15.654 -13.483   0.412
  462    H4*    C 204           H4*        C 204  16.779 -15.301  -0.647
  463    H3*    C 204           H3*        C 204  15.228 -13.498  -2.467
  464   1H2*    C 204          1H2*        C 204  15.747 -14.787  -4.344
  465   2HO*    C 204          2HO*        C 204  17.542 -16.390  -2.834
  466    H1*    C 204           H1*        C 204  15.577 -17.280  -2.921
  467   1H4     C 204          1H4         C 204  10.307 -17.300  -6.496
  468   2H4     C 204          2H4         C 204   9.655 -15.966  -5.571
  469    H5     C 204           H5         C 204  10.835 -14.855  -3.853
  470    H6     C 204           H6         C 204  12.952 -14.750  -2.586
  471   1H5*    U 205          1H5*        U 205  19.413 -13.569  -2.946
  472   2H5*    U 205          2H5*        U 205  20.434 -12.246  -3.509
  473    H4*    U 205           H4*        U 205  20.762 -14.009  -5.028
  474    H3*    U 205           H3*        U 205  19.139 -11.757  -6.073
  475   1H2*    U 205          1H2*        U 205  18.453 -12.874  -7.993
  476   2HO*    U 205          2HO*        U 205  19.945 -15.110  -7.966
  477    H1*    U 205           H1*        U 205  18.417 -15.455  -6.620
  478    H3     U 205           H3         U 205  14.316 -15.546  -8.504
  479    H5     U 205           H5         U 205  14.086 -12.337  -5.822
  480    H6     U 205           H6         U 205  16.484 -12.638  -5.409
  481   1H5*    A 206          1H5*        A 206  21.078 -12.408  -8.870
  482   2H5*    A 206          2H5*        A 206  22.066 -11.336  -9.861
  483    H4*    A 206           H4*        A 206  20.301 -11.690 -11.264
  484    H3*    A 206           H3*        A 206  19.212  -9.369  -9.624
  485   1H2*    A 206          1H2*        A 206  17.675  -9.195 -11.337
  486   2HO*    A 206          2HO*        A 206  19.359 -10.604 -13.136
  487    H1*    A 206           H1*        A 206  17.885 -11.908 -12.255
  488    H8     A 206           H8         A 206  17.174 -11.027  -8.618
  489   1H6     A 206          1H6         A 206  11.178 -12.050 -10.014
  490   2H6     A 206          2H6         A 206  12.288 -11.689  -8.711
  491    H2     A 206           H2         A 206  13.549 -12.354 -13.760
  492   1H5*    G 207          1H5*        G 207  20.304  -7.926 -13.036
  493   2H5*    G 207          2H5*        G 207  20.370  -6.198 -13.384
  494    H4*    G 207           H4*        G 207  18.330  -7.095 -14.262
  495    H3*    G 207           H3*        G 207  17.618  -5.583 -11.720
  496   1H2*    G 207          1H2*        G 207  15.538  -5.379 -12.756
  497   2HO*    G 207          2HO*        G 207  16.034  -6.075 -15.295
  498    H1*    G 207           H1*        G 207  15.713  -7.834 -14.189
  499    H8     G 207           H8         G 207  16.545  -7.595 -10.474
  500    H1     G 207           H1         G 207  10.519  -9.534 -11.820
  501   1H2     G 207          1H2         G 207  10.195  -9.419 -13.854
  502   2H2     G 207          2H2         G 207  11.381  -8.877 -15.020
  503   1H5*    C 208          1H5*        C 208  18.059  -1.543 -14.094
  504   2H5*    C 208          2H5*        C 208  17.453  -0.442 -12.857
  505    H4*    C 208           H4*        C 208  16.000  -1.591 -14.915
  506    H3*    C 208           H3*        C 208  15.226  -0.110 -12.416
  507   1H2*    C 208          1H2*        C 208  13.113  -0.945 -12.544
  508   2HO*    C 208          2HO*        C 208  12.106  -0.631 -14.622
  509    H1*    C 208           H1*        C 208  13.402  -2.912 -14.617
  510   1H4     C 208          1H4         C 208  12.047  -6.424  -9.481
  511   2H4     C 208          2H4         C 208  13.582  -5.993  -8.762
  512    H5     C 208           H5         C 208  15.112  -4.479  -9.733
  513    H6     C 208           H6         C 208  15.549  -2.989 -11.653
  514   1H5*    G 209          1H5*        G 209  13.500   4.449 -15.477
  515   2H5*    G 209          2H5*        G 209  14.006   4.578 -13.792
  516    H4*    G 209           H4*        G 209  12.161   2.579 -15.069
  517    H3*    G 209           H3*        G 209  11.914   4.250 -12.537
  518   1H2*    G 209          1H2*        G 209  10.061   2.943 -12.135
  519   2HO*    G 209          2HO*        G 209   9.088   2.071 -14.311
  520    H1*    G 209           H1*        G 209  10.838   0.749 -13.847
  521    H8     G 209           H8         G 209  13.063   2.004 -11.032
  522    H1     G 209           H1         G 209   9.275  -3.008  -9.477
  523   1H2     G 209          1H2         G 209   7.987  -3.407 -11.037
  524   2H2     G 209          2H2         G 209   7.939  -2.517 -12.541
  525   1H5*    G 210          1H5*        G 210  10.061   4.897 -11.474
  526   2H5*    G 210          2H5*        G 210   9.087   4.684 -12.928
  527    H4*    G 210           H4*        G 210   7.853   5.027 -10.732
  528    H3*    G 210           H3*        G 210   7.243   6.242 -13.331
  529   1H2*    G 210          1H2*        G 210   6.711   8.265 -12.379
  530   2HO*    G 210          2HO*        G 210   4.719   7.051 -12.628
  531    H1*    G 210           H1*        G 210   6.299   7.484  -9.587
  532    H8     G 210           H8         G 210   9.382   8.338 -11.723
  533    H1     G 210           H1         G 210   8.046  12.482  -6.933
  534   1H2     G 210          1H2         G 210   6.352  11.859  -5.937
  535   2H2     G 210          2H2         G 210   5.430  10.428  -6.338
  536   1H5*    A 211          1H5*        A 211   7.241   3.158 -11.063
  537   2H5*    A 211          2H5*        A 211   7.206   1.450 -11.500
  538    H4*    A 211           H4*        A 211   6.284   1.319  -9.430
  539    H3*    A 211           H3*        A 211   4.090   1.591 -11.403
  540   1H2*    A 211          1H2*        A 211   3.168   3.032  -9.740
  541   2HO*    A 211          2HO*        A 211   1.951   1.104 -10.213
  542    H1*    A 211           H1*        A 211   4.179   1.151  -7.572
  543    H8     A 211           H8         A 211   4.743   4.847  -8.427
  544   1H6     A 211          1H6         A 211   2.292   6.002  -2.805
  545   2H6     A 211          2H6         A 211   3.016   6.742  -4.214
  546    H2     A 211           H2         A 211   2.144   1.618  -3.511
  547   1H5*    G 212          1H5*        G 212   2.379  -2.900  -8.785
  548   2H5*    G 212          2H5*        G 212   3.025  -1.261  -8.703
  549    H4*    G 212           H4*        G 212   4.840  -3.666  -8.705
  550    H3*    G 212           H3*        G 212   3.331  -2.519  -6.357
  551   1H2*    G 212          1H2*        G 212   5.187  -2.878  -5.000
  552   2HO*    G 212          2HO*        G 212   6.059  -4.582  -7.154
  553    H1*    G 212           H1*        G 212   7.053  -2.440  -7.194
  554    H8     G 212           H8         G 212   4.436  -0.313  -5.343
  555    H1     G 212           H1         G 212  10.571   1.675  -4.796
  556   1H2     G 212          1H2         G 212  11.802   0.410  -5.861
  557   2H2     G 212          2H2         G 212  11.254  -0.982  -6.768
  558   1H5*    G 213          1H5*        G 213   3.335  -6.719  -8.594
  559   2H5*    G 213          2H5*        G 213   3.863  -5.120  -9.118
  560    H4*    G 213           H4*        G 213   1.656  -6.056 -10.744
  561    H3*    G 213           H3*        G 213   3.547  -8.140 -10.087
  562   1H2*    G 213          1H2*        G 213   4.704  -8.328 -12.080
  563   2HO*    G 213          2HO*        G 213   3.388  -8.292 -13.816
  564    H1*    G 213           H1*        G 213   4.721  -5.665 -12.882
  565    H8     G 213           H8         G 213   5.204  -6.695  -9.223
  566    H1     G 213           H1         G 213  10.634  -5.325 -12.466
  567   1H2     G 213          1H2         G 213  10.177  -4.923 -14.437
  568   2H2     G 213          2H2         G 213   8.562  -4.954 -15.110
  569   1H5*    C 214          1H5*        C 214   1.666  -9.893 -13.500
  570   2H5*    C 214          2H5*        C 214   1.800 -11.649 -13.421
  571    H4*    C 214           H4*        C 214   3.248 -10.602 -15.138
  572    H3*    C 214           H3*        C 214   4.698 -12.081 -12.914
  573   1H2*    C 214          1H2*        C 214   6.543 -12.114 -14.383
  574   2HO*    C 214          2HO*        C 214   4.722 -11.114 -16.371
  575    H1*    C 214           H1*        C 214   6.291  -9.512 -15.259
  576   1H4     C 214          1H4         C 214   9.940  -8.641 -10.126
  577   2H4     C 214          2H4         C 214   8.662  -9.216  -9.079
  578    H5     C 214           H5         C 214   6.578 -10.009  -9.859
  579    H6     C 214           H6         C 214   5.195 -10.449 -11.856
  580   1H5*    U 215          1H5*        U 215   4.853 -14.198 -16.166
  581   2H5*    U 215          2H5*        U 215   5.139 -15.936 -16.259
  582    H4*    U 215           H4*        U 215   7.024 -14.312 -16.936
  583    H3*    U 215           H3*        U 215   7.329 -16.778 -15.259
  584   1H2*    U 215          1H2*        U 215   9.270 -15.895 -14.437
  585   2HO*    U 215          2HO*        U 215   9.750 -15.791 -17.277
  586    H1*    U 215           H1*        U 215   9.657 -13.644 -16.276
  587    H3     U 215           H3         U 215  11.226 -11.461 -12.697
  588    H5     U 215           H5         U 215   7.490 -12.810 -11.369
  589    H6     U 215           H6         U 215   7.252 -13.963 -13.519
  590   1H5*    A 216          1H5*        A 216  10.524 -17.939 -18.236
  591   2H5*    A 216          2H5*        A 216  10.486 -19.680 -17.960
  592    H4*    A 216           H4*        A 216  12.572 -18.502 -17.210
  593    H3*    A 216           H3*        A 216  10.974 -20.108 -15.197
  594   1H2*    A 216          1H2*        A 216  12.730 -19.830 -13.704
  595   2HO*    A 216          2HO*        A 216  14.776 -19.900 -14.569
  596    H1*    A 216           H1*        A 216  13.531 -17.267 -14.749
  597    H8     A 216           H8         A 216   9.958 -17.996 -13.660
  598   1H6     A 216          1H6         A 216  11.506 -15.234  -8.282
  599   2H6     A 216          2H6         A 216  10.181 -15.933  -9.187
  600    H2     A 216           H2         A 216  15.164 -15.553 -10.784
  601   1H5*    G 217          1H5*        G 217  14.374 -21.751 -15.921
  602   2H5*    G 217          2H5*        G 217  14.889 -23.410 -15.613
  603    H4*    G 217           H4*        G 217  15.826 -22.152 -13.879
  604    H3*    G 217           H3*        G 217  13.245 -23.272 -12.721
  605   1H2*    G 217          1H2*        G 217  14.303 -22.907 -10.649
  606   2HO*    G 217          2HO*        G 217  16.785 -22.204 -11.670
  607    H1*    G 217           H1*        G 217  15.549 -20.501 -11.483
  608    H8     G 217           H8         G 217  11.890 -21.287 -12.248
  609    H1     G 217           H1         G 217  12.880 -17.539  -7.066
  610   1H2     G 217          1H2         G 217  14.906 -17.370  -6.715
  611   2H2     G 217          2H2         G 217  16.150 -18.132  -7.680
  612   1H5*    U 218          1H5*        U 218  16.268 -25.276 -11.380
  613   2H5*    U 218          2H5*        U 218  16.236 -26.924 -10.754
  614    H4*    U 218           H4*        U 218  16.682 -25.588  -8.893
  615    H3*    U 218           H3*        U 218  13.677 -26.053  -8.852
  616   1H2*    U 218          1H2*        U 218  13.831 -25.456  -6.581
  617   2HO*    U 218          2HO*        U 218  16.340 -25.298  -5.973
  618    H1*    U 218           H1*        U 218  15.682 -23.409  -6.937
  619    H3     U 218           H3         U 218  12.128 -20.758  -6.298
  620    H5     U 218           H5         U 218  11.111 -22.816  -9.801
  621    H6     U 218           H6         U 218  13.177 -24.108  -9.524
  622   1H5*    C 219          1H5*        C 219  15.276 -28.047  -6.136
  623   2H5*    C 219          2H5*        C 219  14.823 -29.613  -5.465
  624    H4*    C 219           H4*        C 219  14.627 -27.551  -3.963
  625    H3*    C 219           H3*        C 219  12.679 -29.764  -4.233
  626   1H2*    C 219          1H2*        C 219  10.966 -28.239  -3.933
  627   2HO*    C 219          2HO*        C 219  12.375 -28.128  -1.422
  628    H1*    C 219           H1*        C 219  12.353 -26.082  -2.530
  629   1H4     C 219          1H4         C 219   9.130 -22.742  -6.867
  630   2H4     C 219          2H4         C 219   9.620 -23.840  -8.138
  631    H5     C 219           H5         C 219  10.964 -25.749  -7.780
  632    H6     C 219           H6         C 219  12.181 -27.088  -6.100
  633   1H5*    C 220          1H5*        C 220  12.251 -31.175  -0.210
  634   2H5*    C 220          2H5*        C 220  12.443 -32.854  -0.712
  635    H4*    C 220           H4*        C 220  10.145 -32.461  -0.162
  636    H3*    C 220           H3*        C 220  10.655 -32.802  -3.119
  637   1H2*    C 220          1H2*        C 220   8.343 -32.776  -3.489
  638   2HO*    C 220          2HO*        C 220   7.701 -34.185  -1.903
  639    H1*    C 220           H1*        C 220   7.876 -30.810  -1.436
  640   1H4     C 220          1H4         C 220   7.209 -27.104  -6.552
  641   2H4     C 220          2H4         C 220   8.511 -27.933  -7.375
  642    H5     C 220           H5         C 220   9.747 -29.709  -6.429
  643    H6     C 220           H6         C 220  10.040 -31.142  -4.438
   
  No H/Q in entry =         643
  Start of MODEL   16
    1    H    MET   1           HN       MET   1   5.408 -16.309   2.616
    2    HA   MET   1           HA       MET   1   4.330 -14.532   1.149
    3   1HB   MET   1          2HB       MET   1   3.206 -15.823   3.663
    4   2HB   MET   1          3HB       MET   1   2.179 -14.733   2.751
    5   1HG   MET   1          2HG       MET   1   3.195 -16.308   0.718
    6   2HG   MET   1          3HG       MET   1   3.153 -17.462   2.037
    7   1HE   MET   1          3HE       MET   1   1.549 -18.196   3.225
    8   2HE   MET   1          1HE       MET   1  -0.036 -17.438   3.506
    9   3HE   MET   1          2HE       MET   1   0.123 -18.753   2.319
   10    H    GLN   2           HN       GLN   2   2.367 -12.860   2.024
   11    HA   GLN   2           HA       GLN   2   1.867 -10.974   3.024
   12   1HB   GLN   2          2HB       GLN   2   3.430 -12.092   4.989
   13   2HB   GLN   2          3HB       GLN   2   4.346 -10.638   4.645
   14   1HG   GLN   2          2HG       GLN   2   2.148  -9.326   4.866
   15   2HG   GLN   2          3HG       GLN   2   1.409 -10.804   5.453
   16   1HE2  GLN   2          2HE2      GLN   2   3.636  -8.427   7.855
   17   2HE2  GLN   2          1HE2      GLN   2   3.193  -8.054   6.222
   18    H    LYS   3           HN       LYS   3   2.869 -10.900   0.525
   19    HA   LYS   3           HA       LYS   3   3.702  -9.488  -0.959
   20   1HB   LYS   3          2HB       LYS   3   4.425  -7.687   1.371
   21   2HB   LYS   3          3HB       LYS   3   4.381  -7.228  -0.319
   22   1HG   LYS   3          2HG       LYS   3   1.938  -8.394   1.076
   23   2HG   LYS   3          3HG       LYS   3   2.294  -6.678   1.134
   24   1HD   LYS   3          2HD       LYS   3   1.596  -6.348  -1.013
   25   2HD   LYS   3          3HD       LYS   3   2.497  -7.728  -1.608
   26   1HE   LYS   3          2HE       LYS   3  -0.089  -8.081  -0.038
   27   2HE   LYS   3          3HE       LYS   3  -0.103  -7.818  -1.770
   28   1HZ   LYS   3          1HZ       LYS   3   1.156  -9.813  -2.096
   29   2HZ   LYS   3          2HZ       LYS   3   1.476  -9.992  -0.509
   30    H    GLY   4           HN       GLY   4   5.151 -11.617  -0.743
   31   1HA   GLY   4          1HA       GLY   4   7.715 -11.481   0.333
   32   2HA   GLY   4          2HA       GLY   4   7.201 -12.497  -0.999
   33    H    ASN   5           HN       ASN   5   6.322 -10.069  -2.625
   34    HA   ASN   5           HA       ASN   5   8.628  -9.789  -4.082
   35   1HB   ASN   5          2HB       ASN   5   6.079  -9.212  -4.605
   36   2HB   ASN   5          3HB       ASN   5   6.505  -7.612  -4.028
   37   1HD2  ASN   5          2HD2      ASN   5   8.307  -6.611  -6.829
   38   2HD2  ASN   5          1HD2      ASN   5   7.749  -6.277  -5.223
   39    H    PHE   6           HN       PHE   6   7.639  -8.350  -1.082
   40    HA   PHE   6           HA       PHE   6   8.737  -5.808  -1.263
   41   1HB   PHE   6          2HB       PHE   6   7.288  -6.509   0.586
   42   2HB   PHE   6          3HB       PHE   6   8.312  -7.882   0.954
   43    HD1  PHE   6           HD2      PHE   6  10.409  -7.577   2.181
   44    HD2  PHE   6           HD1      PHE   6   7.839  -4.295   1.386
   45    HE1  PHE   6           HE2      PHE   6  11.615  -6.214   3.910
   46    HE2  PHE   6           HE1      PHE   6   9.045  -2.932   3.116
   47    HZ   PHE   6           HZ       PHE   6  10.918  -3.908   4.356
   48    H    ARG   7           HN       ARG   7  10.287  -8.886  -1.358
   49    HA   ARG   7           HA       ARG   7  12.578  -8.358   0.066
   50   1HB   ARG   7          2HB       ARG   7  13.598 -10.170  -1.349
   51   2HB   ARG   7          3HB       ARG   7  12.020 -10.615  -0.731
   52   1HG   ARG   7          2HG       ARG   7  10.951 -10.180  -2.858
   53   2HG   ARG   7          3HG       ARG   7  12.360  -9.345  -3.479
   54   1HD   ARG   7          2HD       ARG   7  13.662 -11.519  -3.306
   55   2HD   ARG   7          3HD       ARG   7  12.183 -12.325  -2.821
   56    HE   ARG   7           HE       ARG   7  12.900 -11.521  -5.515
   57   1HH1  ARG   7          2HH2      ARG   7  10.121 -11.987  -3.368
   58   2HH1  ARG   7          1HH2      ARG   7   9.009 -12.271  -4.665
   59    HH2  ARG   7           HH1      ARG   7   9.803 -12.214  -6.925
   60    H    ASN   8           HN       ASN   8  11.372  -6.884  -2.789
   61    HA   ASN   8           HA       ASN   8  13.593  -6.523  -4.323
   62   1HB   ASN   8          2HB       ASN   8  12.439  -4.443  -5.138
   63   2HB   ASN   8          3HB       ASN   8  11.336  -5.801  -5.027
   64   1HD2  ASN   8          2HD2      ASN   8  10.224  -2.466  -3.361
   65   2HD2  ASN   8          1HD2      ASN   8  11.194  -2.745  -4.769
   66    H    GLN   9           HN       GLN   9  12.836  -5.353  -1.126
   67    HA   GLN   9           HA       GLN   9  14.132  -2.919  -1.131
   68   1HB   GLN   9          2HB       GLN   9  13.343  -4.937   0.946
   69   2HB   GLN   9          3HB       GLN   9  14.493  -3.708   1.434
   70   1HG   GLN   9          2HG       GLN   9  12.385  -2.434  -0.093
   71   2HG   GLN   9          3HG       GLN   9  11.646  -3.448   1.130
   72   1HE2  GLN   9          2HE2      GLN   9  14.361  -0.562   2.387
   73   2HE2  GLN   9          1HE2      GLN   9  14.629  -1.501   0.956
   74    H    ARG  10           HN       ARG  10  15.392  -6.088  -1.561
   75    HA   ARG  10           HA       ARG  10  17.782  -5.915  -0.222
   76   1HB   ARG  10          2HB       ARG  10  18.559  -7.673  -1.814
   77   2HB   ARG  10          3HB       ARG  10  16.934  -8.006  -1.247
   78   1HG   ARG  10          2HG       ARG  10  16.028  -6.905  -3.343
   79   2HG   ARG  10          3HG       ARG  10  17.673  -6.717  -3.916
   80   1HD   ARG  10          2HD       ARG  10  16.618  -8.761  -4.869
   81   2HD   ARG  10          3HD       ARG  10  18.008  -9.171  -3.883
   82    HE   ARG  10           HE       ARG  10  15.171  -9.697  -3.232
   83   1HH1  ARG  10          2HH2      ARG  10  18.522  -9.675  -2.078
   84   2HH1  ARG  10          1HH2      ARG  10  18.202 -10.740  -0.750
   85    HH2  ARG  10           HH1      ARG  10  15.977 -11.567  -0.419
   86    H    LYS  11           HN       LYS  11  16.598  -4.078  -2.884
   87    HA   LYS  11           HA       LYS  11  19.340  -3.296  -3.594
   88   1HB   LYS  11          2HB       LYS  11  18.320  -4.400  -5.473
   89   2HB   LYS  11          3HB       LYS  11  16.856  -3.450  -5.319
   90   1HG   LYS  11          2HG       LYS  11  17.852  -1.504  -6.169
   91   2HG   LYS  11          3HG       LYS  11  19.459  -1.963  -5.644
   92   1HD   LYS  11          2HD       LYS  11  19.766  -2.477  -7.859
   93   2HD   LYS  11          3HD       LYS  11  18.981  -3.982  -7.424
   94   1HE   LYS  11          2HE       LYS  11  17.300  -3.514  -8.871
   95   2HE   LYS  11          3HE       LYS  11  16.879  -2.105  -7.918
   96   1HZ   LYS  11          1HZ       LYS  11  18.332  -2.221 -10.404
   97   2HZ   LYS  11          2HZ       LYS  11  17.503  -0.976  -9.759
   98    H    THR  12           HN       THR  12  17.902  -2.325  -1.285
   99    HA   THR  12           HA       THR  12  16.948  -0.461  -0.419
  100    HB   THR  12           HB       THR  12  19.547  -0.210  -0.796
  101    HG1  THR  12           HG1      THR  12  18.255   1.038   0.724
  102   1HG2  THR  12          2HG2      THR  12  18.644   0.941  -3.226
  103   2HG2  THR  12          3HG2      THR  12  19.023   2.329  -2.177
  104   3HG2  THR  12          1HG2      THR  12  20.270   1.106  -2.522
  105    H    VAL  13           HN       VAL  13  15.267  -1.204  -2.422
  106    HA   VAL  13           HA       VAL  13  14.804   0.331  -4.554
  107    HB   VAL  13           HB       VAL  13  12.355   0.036  -4.012
  108   1HG1  VAL  13          3HG1      VAL  13  14.416  -1.959  -4.495
  109   2HG1  VAL  13          1HG1      VAL  13  13.007  -2.666  -3.669
  110   3HG1  VAL  13          2HG1      VAL  13  12.793  -1.800  -5.209
  111   1HG2  VAL  13          1HG2      VAL  13  13.562  -1.055  -1.465
  112   2HG2  VAL  13          2HG2      VAL  13  12.223   0.101  -1.668
  113   3HG2  VAL  13          3HG2      VAL  13  11.983  -1.617  -2.067
  114    H    LYS  14           HN       LYS  14  13.499   2.270  -4.998
  115    HA   LYS  14           HA       LYS  14  13.843   4.222  -2.837
  116   1HB   LYS  14          2HB       LYS  14  14.277   5.846  -4.424
  117   2HB   LYS  14          3HB       LYS  14  15.045   4.436  -5.123
  118   1HG   LYS  14          2HG       LYS  14  12.667   4.074  -6.275
  119   2HG   LYS  14          3HG       LYS  14  12.458   5.780  -5.933
  120   1HD   LYS  14          2HD       LYS  14  15.083   5.041  -7.158
  121   2HD   LYS  14          3HD       LYS  14  13.687   4.804  -8.189
  122   1HE   LYS  14          2HE       LYS  14  12.991   7.156  -7.856
  123   2HE   LYS  14          3HE       LYS  14  14.295   7.411  -6.714
  124   1HZ   LYS  14          1HZ       LYS  14  14.564   7.967  -9.281
  125   2HZ   LYS  14          2HZ       LYS  14  15.837   7.474  -8.395
  126    H    CYS  15           HN       CYS  15  12.119   5.588  -2.236
  127    HA   CYS  15           HA       CYS  15   9.556   4.412  -2.696
  128   1HB   CYS  15          2HB       CYS  15  10.185   5.253  -0.471
  129   2HB   CYS  15          3HB       CYS  15  10.347   6.877  -1.109
  130    H    PHE  16           HN       PHE  16   8.459   4.853  -4.580
  131    HA   PHE  16           HA       PHE  16   9.135   7.093  -6.177
  132   1HB   PHE  16          2HB       PHE  16   6.977   4.922  -6.091
  133   2HB   PHE  16          3HB       PHE  16   6.889   6.183  -7.305
  134    HD1  PHE  16           HD1      PHE  16   9.610   6.550  -8.186
  135    HD2  PHE  16           HD2      PHE  16   7.618   2.959  -7.115
  136    HE1  PHE  16           HE1      PHE  16  11.171   5.245  -9.656
  137    HE2  PHE  16           HE2      PHE  16   9.179   1.654  -8.586
  138    HZ   PHE  16           HZ       PHE  16  10.937   2.813  -9.838
  139    H    ASN  17           HN       ASN  17   7.493   6.992  -3.287
  140    HA   ASN  17           HA       ASN  17   5.385   8.773  -4.102
  141   1HB   ASN  17          2HB       ASN  17   5.257   6.878  -2.273
  142   2HB   ASN  17          3HB       ASN  17   6.095   8.014  -1.234
  143   1HD2  ASN  17          2HD2      ASN  17   3.011   9.226  -0.201
  144   2HD2  ASN  17          1HD2      ASN  17   4.505   8.436   0.178
  145    H    CYS  18           HN       CYS  18   7.845   8.729  -1.401
  146    HA   CYS  18           HA       CYS  18   7.857  11.595  -1.348
  147   1HB   CYS  18          2HB       CYS  18   9.442  11.312   0.532
  148   2HB   CYS  18          3HB       CYS  18   7.954  10.416   0.761
  149    H    GLY  19           HN       GLY  19  10.041   8.854  -2.245
  150   1HA   GLY  19          1HA       GLY  19  11.430   9.061  -4.169
  151   2HA   GLY  19          2HA       GLY  19  11.647  10.764  -3.819
  152    H    LYS  20           HN       LYS  20  11.687   8.264  -1.264
  153    HA   LYS  20           HA       LYS  20  14.486   8.962  -0.788
  154   1HB   LYS  20          2HB       LYS  20  12.199   8.090   0.930
  155   2HB   LYS  20          3HB       LYS  20  13.814   7.620   1.421
  156   1HG   LYS  20          2HG       LYS  20  14.333  10.214   0.852
  157   2HG   LYS  20          3HG       LYS  20  12.621  10.375   1.196
  158   1HD   LYS  20          2HD       LYS  20  13.126  10.396   3.406
  159   2HD   LYS  20          3HD       LYS  20  13.599   8.713   3.267
  160   1HE   LYS  20          2HE       LYS  20  15.882   9.213   3.112
  161   2HE   LYS  20          3HE       LYS  20  15.604  10.787   2.394
  162   1HZ   LYS  20          1HZ       LYS  20  16.156  11.367   4.544
  163   2HZ   LYS  20          2HZ       LYS  20  14.542  11.263   4.739
  164    H    GLU  21           HN       GLU  21  15.395   6.761   0.603
  165    HA   GLU  21           HA       GLU  21  14.948   4.550  -1.231
  166   1HB   GLU  21          2HB       GLU  21  17.425   6.100  -0.882
  167   2HB   GLU  21          3HB       GLU  21  17.677   4.392  -0.582
  168   1HG   GLU  21          2HG       GLU  21  17.093   3.769  -2.767
  169   2HG   GLU  21          3HG       GLU  21  16.056   5.162  -3.006
  170    HE2  GLU  21           HE2      GLU  21  19.003   5.607  -4.959
  171    H    GLY  22           HN       GLY  22  14.617   2.629  -0.167
  172   1HA   GLY  22          1HA       GLY  22  15.574   1.189   1.619
  173   2HA   GLY  22          2HA       GLY  22  15.361   2.554   2.696
  174    H    HIS  23           HN       HIS  23  12.853   2.669   0.420
  175    HA   HIS  23           HA       HIS  23  11.161   0.679   1.484
  176   1HB   HIS  23          2HB       HIS  23   9.733   1.868   2.874
  177   2HB   HIS  23          3HB       HIS  23  11.326   2.412   3.366
  178    HD1  HIS  23           HD1      HIS  23  11.997   4.883   2.797
  179    HD2  HIS  23           HD2      HIS  23   8.099   3.828   1.660
  180    HE1  HIS  23           HE1      HIS  23  10.795   7.067   2.254
  181    H    ILE  24           HN       ILE  24   8.930   0.848   0.506
  182    HA   ILE  24           HA       ILE  24   9.105   2.373  -1.998
  183    HB   ILE  24           HB       ILE  24   7.966   0.660  -3.102
  184   1HG1  ILE  24          2HG1      ILE  24   7.459  -0.765  -0.477
  185   2HG1  ILE  24          3HG1      ILE  24   6.291   0.294  -1.246
  186   1HG2  ILE  24          3HG2      ILE  24  10.271  -0.064  -1.435
  187   2HG2  ILE  24          1HG2      ILE  24   9.329  -1.459  -2.013
  188   3HG2  ILE  24          2HG2      ILE  24   9.991  -0.288  -3.179
  189   1HD1  ILE  24          3HD1      ILE  24   7.559  -1.982  -2.805
  190   2HD1  ILE  24          1HD1      ILE  24   6.155  -2.265  -1.748
  191   3HD1  ILE  24          2HD1      ILE  24   6.023  -1.138  -3.120
  192    H    ALA  25           HN       ALA  25   6.947   3.079  -2.888
  193    HA   ALA  25           HA       ALA  25   5.641   4.704  -1.124
  194   1HB   ALA  25          2HB       ALA  25   5.619   4.677  -3.681
  195   2HB   ALA  25          3HB       ALA  25   4.356   3.429  -3.561
  196   3HB   ALA  25          1HB       ALA  25   4.070   5.053  -2.889
  197    H    LYS  26           HN       LYS  26   4.949   1.288  -2.017
  198    HA   LYS  26           HA       LYS  26   2.483   1.095  -0.748
  199   1HB   LYS  26          2HB       LYS  26   4.551  -1.091  -1.113
  200   2HB   LYS  26          3HB       LYS  26   2.827  -1.303  -0.875
  201   1HG   LYS  26          2HG       LYS  26   3.588   0.498  -3.138
  202   2HG   LYS  26          3HG       LYS  26   4.034  -1.184  -3.341
  203   1HD   LYS  26          2HD       LYS  26   1.340  -1.072  -2.279
  204   2HD   LYS  26          3HD       LYS  26   1.439   0.007  -3.656
  205   1HE   LYS  26          2HE       LYS  26   2.607  -1.949  -4.908
  206   2HE   LYS  26          3HE       LYS  26   2.086  -2.969  -3.582
  207   1HZ   LYS  26          1HZ       LYS  26   0.232  -3.136  -4.871
  208   2HZ   LYS  26          2HZ       LYS  26  -0.205  -1.730  -4.174
  209    H    ASN  27           HN       ASN  27   5.851   0.715   0.472
  210    HA   ASN  27           HA       ASN  27   4.773   0.188   3.096
  211   1HB   ASN  27          2HB       ASN  27   7.588   0.184   1.911
  212   2HB   ASN  27          3HB       ASN  27   7.332   0.055   3.640
  213   1HD2  ASN  27          2HD2      ASN  27   5.905  -2.942   1.138
  214   2HD2  ASN  27          1HD2      ASN  27   5.948  -1.285   0.638
  215    H    CYS  28           HN       CYS  28   4.917   2.871   1.356
  216    HA   CYS  28           HA       CYS  28   6.566   4.524   3.031
  217   1HB   CYS  28          2HB       CYS  28   6.446   4.948   0.611
  218   2HB   CYS  28          3HB       CYS  28   4.724   5.248   0.730
  219    H    ARG  29           HN       ARG  29   5.809   5.839   4.710
  220    HA   ARG  29           HA       ARG  29   3.216   5.236   5.655
  221   1HB   ARG  29          2HB       ARG  29   5.530   5.929   6.894
  222   2HB   ARG  29          3HB       ARG  29   4.811   7.524   6.805
  223   1HG   ARG  29          2HG       ARG  29   3.662   6.977   8.689
  224   2HG   ARG  29          3HG       ARG  29   2.673   5.948   7.673
  225   1HD   ARG  29          2HD       ARG  29   3.381   4.331   9.171
  226   2HD   ARG  29          3HD       ARG  29   4.727   4.229   8.053
  227    HE   ARG  29           HE       ARG  29   6.122   5.302   9.630
  228   1HH1  ARG  29          1HH2      ARG  29   3.152   5.986  12.302
  229   2HH1  ARG  29          2HH2      ARG  29   2.749   5.440  10.709
  230    HH2  ARG  29           HH1      ARG  29   5.452   6.322  12.883
  231    H    ALA  30           HN       ALA  30   4.790   7.862   3.846
  232    HA   ALA  30           HA       ALA  30   2.946   9.895   4.321
  233   1HB   ALA  30          1HB       ALA  30   4.695   9.277   1.906
  234   2HB   ALA  30          2HB       ALA  30   3.869  10.827   2.195
  235   3HB   ALA  30          3HB       ALA  30   5.137  10.273   3.314
  236    HA   PRO  31           HA       PRO  31  -0.480   8.735   1.952
  237   1HB   PRO  31          2HB       PRO  31  -1.488  11.135   1.120
  238   2HB   PRO  31          3HB       PRO  31  -1.736  10.499   2.733
  239   1HG   PRO  31          2HG       PRO  31   0.070  12.668   1.854
  240   2HG   PRO  31          3HG       PRO  31  -0.507  12.306   3.469
  241   1HD   PRO  31          2HD       PRO  31   2.095  11.731   2.408
  242   2HD   PRO  31          3HD       PRO  31   1.479  11.268   3.982
  243    H    ARG  32           HN       ARG  32  -1.326   8.184  -0.073
  244    HA   ARG  32           HA       ARG  32   0.610   8.036  -2.005
  245   1HB   ARG  32          2HB       ARG  32  -2.420   7.988  -2.434
  246   2HB   ARG  32          3HB       ARG  32  -1.222   7.286  -3.504
  247   1HG   ARG  32          2HG       ARG  32  -1.696   6.439  -0.605
  248   2HG   ARG  32          3HG       ARG  32  -2.283   5.576  -2.013
  249   1HD   ARG  32          2HD       ARG  32   0.617   6.123  -2.171
  250   2HD   ARG  32          3HD       ARG  32   0.197   5.186  -0.750
  251    HE   ARG  32           HE       ARG  32   0.296   4.167  -3.386
  252   1HH1  ARG  32          2HH2      ARG  32  -1.978   4.143  -0.668
  253   2HH1  ARG  32          1HH2      ARG  32  -2.686   2.625  -1.113
  254    HH2  ARG  32           HH1      ARG  32  -1.881   1.480  -3.058
  255    H    LYS  33           HN       LYS  33   1.530   9.739  -3.111
  256    HA   LYS  33           HA       LYS  33  -0.273  11.674  -4.318
  257   1HB   LYS  33          2HB       LYS  33   1.469  12.248  -2.048
  258   2HB   LYS  33          3HB       LYS  33   1.859  13.248  -3.434
  259   1HG   LYS  33          2HG       LYS  33  -0.379  14.119  -3.580
  260   2HG   LYS  33          3HG       LYS  33  -1.022  12.870  -2.530
  261   1HD   LYS  33          2HD       LYS  33  -0.864  14.871  -1.193
  262   2HD   LYS  33          3HD       LYS  33   0.418  13.809  -0.648
  263   1HE   LYS  33          2HE       LYS  33   2.110  15.126  -1.584
  264   2HE   LYS  33          3HE       LYS  33   1.083  15.735  -2.866
  265   1HZ   LYS  33          1HZ       LYS  33   0.278  16.511  -0.185
  266   2HZ   LYS  33          2HZ       LYS  33   1.690  17.154  -0.684
  267    H    LYS  34           HN       LYS  34   1.504  13.320  -5.571
  268    HA   LYS  34           HA       LYS  34   3.483  11.582  -6.821
  269   1HB   LYS  34          2HB       LYS  34   0.986  12.026  -7.994
  270   2HB   LYS  34          3HB       LYS  34   2.046  13.157  -8.810
  271   1HG   LYS  34          2HG       LYS  34   3.676  11.276  -9.234
  272   2HG   LYS  34          3HG       LYS  34   2.550  10.160  -8.488
  273   1HD   LYS  34          2HD       LYS  34   1.684  11.927 -10.806
  274   2HD   LYS  34          3HD       LYS  34   2.514  10.411 -11.096
  275   1HE   LYS  34          2HE       LYS  34   0.699   9.137 -10.467
  276   2HE   LYS  34          3HE       LYS  34   0.265  10.211  -9.153
  277   1HZ   LYS  34          1HZ       LYS  34  -1.390  10.317 -10.913
  278   2HZ   LYS  34          2HZ       LYS  34  -0.645  11.763 -10.827
  279    H    GLY  35           HN       GLY  35   4.166  13.404  -4.938
  280   1HA   GLY  35          1HA       GLY  35   4.649  15.991  -6.151
  281   2HA   GLY  35          2HA       GLY  35   5.090  15.458  -4.540
  282    H    CYS  36           HN       CYS  36   6.437  16.530  -7.318
  283    HA   CYS  36           HA       CYS  36   8.355  14.654  -7.990
  284   1HB   CYS  36          2HB       CYS  36   7.953  16.506  -9.450
  285   2HB   CYS  36          3HB       CYS  36   8.332  17.675  -8.202
  286    H    TRP  37           HN       TRP  37  10.112  13.891  -6.854
  287    HA   TRP  37           HA       TRP  37  10.692  15.083  -4.296
  288   1HB   TRP  37          2HB       TRP  37  12.451  12.941  -5.219
  289   2HB   TRP  37          3HB       TRP  37  11.519  13.089  -3.743
  290    HD1  TRP  37           HD1      TRP  37   8.644  12.655  -4.316
  291    HE1  TRP  37           HE1      TRP  37   7.537  10.657  -5.639
  292    HE3  TRP  37           HE3      TRP  37  12.838  11.330  -6.868
  293    HZ2  TRP  37           HZ2      TRP  37   8.518   8.790  -7.561
  294    HZ3  TRP  37           HZ3      TRP  37  12.678   9.409  -8.449
  295    HH2  TRP  37           HH2      TRP  37  10.612   8.154  -8.814
  296    H    LYS  38           HN       LYS  38  11.134  16.784  -6.623
  297    HA   LYS  38           HA       LYS  38  14.027  17.118  -6.331
  298   1HB   LYS  38          2HB       LYS  38  12.867  16.144  -8.652
  299   2HB   LYS  38          3HB       LYS  38  13.015  17.858  -8.981
  300   1HG   LYS  38          2HG       LYS  38  15.103  16.951  -9.676
  301   2HG   LYS  38          3HG       LYS  38  15.448  17.673  -8.118
  302   1HD   LYS  38          2HD       LYS  38  14.578  15.022  -7.546
  303   2HD   LYS  38          3HD       LYS  38  15.645  14.874  -8.928
  304   1HE   LYS  38          2HE       LYS  38  17.341  14.926  -7.399
  305   2HE   LYS  38          3HE       LYS  38  17.063  16.655  -7.350
  306   1HZ   LYS  38          1HZ       LYS  38  16.986  15.462  -5.135
  307   2HZ   LYS  38          2HZ       LYS  38  15.695  16.409  -5.435
  308    H    CYS  39           HN       CYS  39  10.887  18.551  -7.436
  309    HA   CYS  39           HA       CYS  39  11.919  21.124  -6.498
  310   1HB   CYS  39          2HB       CYS  39  10.089  22.108  -7.926
  311   2HB   CYS  39          3HB       CYS  39  11.375  21.306  -8.805
  312    H    GLY  40           HN       GLY  40   9.390  18.624  -6.286
  313   1HA   GLY  40          1HA       GLY  40   8.178  18.217  -4.339
  314   2HA   GLY  40          2HA       GLY  40   8.407  19.878  -3.827
  315    H    LYS  41           HN       LYS  41   7.544  19.309  -7.199
  316    HA   LYS  41           HA       LYS  41   4.957  20.533  -6.658
  317   1HB   LYS  41          2HB       LYS  41   6.913  20.952  -8.608
  318   2HB   LYS  41          3HB       LYS  41   5.644  20.094  -9.459
  319   1HG   LYS  41          2HG       LYS  41   5.106  22.442  -9.610
  320   2HG   LYS  41          3HG       LYS  41   3.965  21.740  -8.480
  321   1HD   LYS  41          2HD       LYS  41   5.717  22.434  -6.635
  322   2HD   LYS  41          3HD       LYS  41   6.382  23.476  -7.877
  323   1HE   LYS  41          2HE       LYS  41   3.891  24.294  -8.194
  324   2HE   LYS  41          3HE       LYS  41   3.621  23.574  -6.619
  325   1HZ   LYS  41          1HZ       LYS  41   4.259  25.896  -6.391
  326   2HZ   LYS  41          2HZ       LYS  41   5.440  24.977  -5.751
  327    H    GLU  42           HN       GLU  42   3.110  19.370  -6.610
  328    HA   GLU  42           HA       GLU  42   3.316  16.583  -7.217
  329   1HB   GLU  42          2HB       GLU  42   1.071  16.429  -6.240
  330   2HB   GLU  42          3HB       GLU  42   2.107  17.386  -5.199
  331   1HG   GLU  42          2HG       GLU  42   1.169  19.467  -6.443
  332   2HG   GLU  42          3HG       GLU  42  -0.041  18.390  -7.112
  333    HE2  GLU  42           HE2      GLU  42  -2.025  18.947  -5.332
  334    H    GLY  43           HN       GLY  43   2.994  15.793  -9.247
  335   1HA   GLY  43          1HA       GLY  43   0.879  15.833 -10.808
  336   2HA   GLY  43          2HA       GLY  43   1.513  17.427 -11.171
  337    H    HIS  44           HN       HIS  44   4.241  17.167 -11.238
  338    HA   HIS  44           HA       HIS  44   4.561  15.315 -13.462
  339   1HB   HIS  44          2HB       HIS  44   6.348  16.684 -14.198
  340   2HB   HIS  44          3HB       HIS  44   5.032  17.755 -13.761
  341    HD1  HIS  44           HD1      HIS  44   5.417  19.419 -11.833
  342    HD2  HIS  44           HD2      HIS  44   8.602  16.752 -12.415
  343    HE1  HIS  44           HE1      HIS  44   7.350  20.296 -10.418
  344    H    GLN  45           HN       GLN  45   7.034  14.513 -13.599
  345    HA   GLN  45           HA       GLN  45   7.679  13.541 -10.924
  346   1HB   GLN  45          2HB       GLN  45   8.172  11.375 -11.786
  347   2HB   GLN  45          3HB       GLN  45   6.654  11.826 -12.536
  348   1HG   GLN  45          2HG       GLN  45   7.786  12.466 -14.611
  349   2HG   GLN  45          3HG       GLN  45   9.362  12.277 -13.868
  350   1HE2  GLN  45          2HE2      GLN  45   7.155   9.056 -15.180
  351   2HE2  GLN  45          1HE2      GLN  45   6.490  10.647 -15.023
  352    H    MET  46           HN       MET  46  10.039  12.905 -10.666
  353    HA   MET  46           HA       MET  46  11.661  14.986 -11.306
  354   1HB   MET  46          2HB       MET  46  12.235  13.390  -9.544
  355   2HB   MET  46          3HB       MET  46  12.240  12.047 -10.671
  356   1HG   MET  46          2HG       MET  46  14.115  14.201 -11.456
  357   2HG   MET  46          3HG       MET  46  14.484  13.524  -9.882
  358   1HE   MET  46          2HE       MET  46  14.972  11.177  -9.356
  359   2HE   MET  46          3HE       MET  46  13.536  10.435 -10.102
  360   3HE   MET  46          1HE       MET  46  15.161   9.832 -10.507
  361    H    LYS  47           HN       LYS  47  11.101  11.921 -13.103
  362    HA   LYS  47           HA       LYS  47  13.188  12.114 -14.901
  363   1HB   LYS  47          2HB       LYS  47  11.659  10.160 -14.523
  364   2HB   LYS  47          3HB       LYS  47  10.419  11.000 -15.433
  365   1HG   LYS  47          2HG       LYS  47  12.775  11.154 -17.030
  366   2HG   LYS  47          3HG       LYS  47  12.726   9.511 -16.422
  367   1HD   LYS  47          2HD       LYS  47  10.090  10.521 -17.355
  368   2HD   LYS  47          3HD       LYS  47  11.303  10.442 -18.617
  369   1HE   LYS  47          2HE       LYS  47  11.486   8.026 -17.029
  370   2HE   LYS  47          3HE       LYS  47   9.806   8.274 -17.461
  371   1HZ   LYS  47          1HZ       LYS  47  11.977   8.441 -19.473
  372   2HZ   LYS  47          2HZ       LYS  47  11.198   7.048 -19.154
  373    H    ASP  48           HN       ASP  48  10.071  13.834 -14.731
  374    HA   ASP  48           HA       ASP  48  10.898  15.246 -17.146
  375   1HB   ASP  48          2HB       ASP  48   8.162  14.507 -16.056
  376   2HB   ASP  48          3HB       ASP  48   8.330  15.874 -17.139
  377    HD1  ASP  48           HD2      ASP  48  10.088  14.222 -19.304
  378    H    CYS  49           HN       CYS  49  11.852  15.858 -14.467
  379    HA   CYS  49           HA       CYS  49  10.309  17.684 -13.090
  380   1HB   CYS  49          2HB       CYS  49  12.391  16.591 -12.247
  381   2HB   CYS  49          3HB       CYS  49  13.339  17.633 -13.290
  382    H    THR  50           HN       THR  50   9.425  19.540 -13.939
  383    HA   THR  50           HA       THR  50  10.674  20.810 -16.211
  384    HB   THR  50           HB       THR  50   8.206  20.506 -16.051
  385    HG1  THR  50           HG1      THR  50   9.094  23.264 -15.587
  386   1HG2  THR  50          1HG2      THR  50   8.664  21.894 -13.427
  387   2HG2  THR  50          2HG2      THR  50   7.261  22.446 -14.373
  388   3HG2  THR  50          3HG2      THR  50   7.390  20.738 -13.885
  389    H    GLU  51           HN       GLU  51  11.573  20.764 -13.083
  390    HA   GLU  51           HA       GLU  51  11.937  23.630 -12.899
  391   1HB   GLU  51          2HB       GLU  51  11.785  21.386 -10.988
  392   2HB   GLU  51          3HB       GLU  51  13.107  22.481 -10.636
  393   1HG   GLU  51          2HG       GLU  51  10.376  23.624 -11.275
  394   2HG   GLU  51          3HG       GLU  51  10.670  22.961  -9.680
  395    HE2  GLU  51           HE2      GLU  51  10.519  25.124  -8.897
  396    H    ARG  52           HN       ARG  52  13.905  20.586 -12.532
  397    HA   ARG  52           HA       ARG  52  15.933  20.107 -13.115
  398   1HB   ARG  52          2HB       ARG  52  15.282  22.271 -14.985
  399   2HB   ARG  52          3HB       ARG  52  16.990  22.299 -14.594
  400   1HG   ARG  52          2HG       ARG  52  17.384  20.169 -15.497
  401   2HG   ARG  52          3HG       ARG  52  15.739  19.627 -15.224
  402   1HD   ARG  52          2HD       ARG  52  14.953  21.201 -17.039
  403   2HD   ARG  52          3HD       ARG  52  16.618  21.652 -17.340
  404    HE   ARG  52           HE       ARG  52  16.079  18.753 -17.447
  405   1HH1  ARG  52          2HH2      ARG  52  16.363  21.766 -19.288
  406   2HH1  ARG  52          1HH2      ARG  52  16.630  20.964 -20.799
  407    HH2  ARG  52           HH1      ARG  52  16.666  18.568 -20.866
  408    H    GLN  53           HN       GLN  53  16.364  20.490 -10.762
  409    HA   GLN  53           HA       GLN  53  18.587  22.149 -10.437
  410   1HB   GLN  53          2HB       GLN  53  15.976  23.333  -9.808
  411   2HB   GLN  53          3HB       GLN  53  17.018  23.299  -8.399
  412   1HG   GLN  53          2HG       GLN  53  18.840  24.182 -10.191
  413   2HG   GLN  53          3HG       GLN  53  17.399  24.750 -11.010
  414   1HE2  GLN  53          1HE2      GLN  53  19.652  26.079  -9.529
  415   2HE2  GLN  53          2HE2      GLN  53  18.903  27.150  -8.392
  416    H    ALA  54           HN       ALA  54  19.033  22.292  -7.824
  417    HA   ALA  54           HA       ALA  54  17.954  19.964  -6.484
  418   1HB   ALA  54          2HB       ALA  54  19.986  19.307  -7.971
  419   2HB   ALA  54          3HB       ALA  54  20.958  20.202  -6.777
  420   3HB   ALA  54          1HB       ALA  54  19.990  18.798  -6.265
  421    H    ASN  55           HN       ASN  55  18.498  19.973  -4.163
  422    HA   ASN  55           HA       ASN  55  19.453  22.597  -3.327
  423   1HB   ASN  55          2HB       ASN  55  16.972  22.402  -3.026
  424   2HB   ASN  55          3HB       ASN  55  17.191  20.939  -2.088
  425   1HD2  ASN  55          2HD2      ASN  55  17.547  22.578   0.922
  426   2HD2  ASN  55          1HD2      ASN  55  17.113  21.177   0.002
  427   1H5*    G 201          1H5*        G 201  -1.164 -20.094  -6.393
  428   2H5*    G 201          2H5*        G 201  -0.099 -18.817  -5.805
  429    H4*    G 201           H4*        G 201  -0.167 -20.948  -4.450
  430    H3*    G 201           H3*        G 201   2.554 -20.071  -5.492
  431   1H2*    G 201          1H2*        G 201   3.394 -21.371  -3.709
  432   2HO*    G 201          2HO*        G 201   1.295 -22.122  -2.325
  433    H1*    G 201           H1*        G 201   1.605 -23.470  -4.029
  434    H8     G 201           H8         G 201   3.097 -21.482  -6.955
  435    H1     G 201           H1         G 201   5.760 -27.280  -5.867
  436   1H2     G 201          1H2         G 201   4.891 -28.137  -4.206
  437   2H2     G 201          2H2         G 201   3.628 -27.395  -3.249
  438   1H5*    G 202          1H5*        G 202   2.469 -19.268  -1.845
  439   2H5*    G 202          2H5*        G 202   3.066 -17.816  -1.042
  440    H4*    G 202           H4*        G 202   4.330 -19.507  -0.092
  441    H3*    G 202           H3*        G 202   5.899 -18.229  -2.322
  442   1H2*    G 202          1H2*        G 202   7.739 -19.614  -1.828
  443   2HO*    G 202          2HO*        G 202   7.938 -20.136   0.282
  444    H1*    G 202           H1*        G 202   6.180 -21.939  -1.475
  445    H8     G 202           H8         G 202   5.574 -19.448  -4.316
  446    H1     G 202           H1         G 202   9.023 -24.684  -5.915
  447   1H2     G 202          1H2         G 202   9.373 -25.821  -4.230
  448   2H2     G 202          2H2         G 202   8.815 -25.414  -2.623
  449   1H5*    A 203          1H5*        A 203   8.003 -18.209   0.942
  450   2H5*    A 203          2H5*        A 203   8.810 -16.781   1.590
  451    H4*    A 203           H4*        A 203  10.499 -18.377   1.417
  452    H3*    A 203           H3*        A 203  10.597 -16.471  -0.908
  453   1H2*    A 203          1H2*        A 203  12.402 -17.606  -1.823
  454   2HO*    A 203          2HO*        A 203  13.859 -18.519  -0.380
  455    H1*    A 203           H1*        A 203  11.683 -20.205  -1.044
  456    H8     A 203           H8         A 203   9.150 -17.685  -2.421
  457   1H6     A 203          1H6         A 203   9.754 -20.766  -7.815
  458   2H6     A 203          2H6         A 203   8.893 -19.473  -7.010
  459    H2     A 203           H2         A 203  12.595 -22.523  -4.884
  460   1H5*    C 204          1H5*        C 204  15.080 -16.701   0.472
  461   2H5*    C 204          2H5*        C 204  15.526 -15.100  -0.121
  462    H4*    C 204           H4*        C 204  16.731 -17.011  -1.197
  463    H3*    C 204           H3*        C 204  15.182 -15.019  -2.838
  464   1H2*    C 204          1H2*        C 204  15.881 -16.076  -4.812
  465   2HO*    C 204          2HO*        C 204  17.798 -17.284  -4.725
  466    H1*    C 204           H1*        C 204  15.627 -18.705  -3.763
  467   1H4     C 204          1H4         C 204  10.354 -18.109  -7.275
  468   2H4     C 204          2H4         C 204   9.745 -16.876  -6.192
  469    H5     C 204           H5         C 204  10.957 -16.030  -4.350
  470    H6     C 204           H6         C 204  13.069 -16.159  -3.080
  471   1H5*    U 205          1H5*        U 205  19.541 -14.404  -3.103
  472   2H5*    U 205          2H5*        U 205  20.161 -12.787  -3.433
  473    H4*    U 205           H4*        U 205  20.933 -14.110  -5.201
  474    H3*    U 205           H3*        U 205  18.650 -12.353  -5.949
  475   1H2*    U 205          1H2*        U 205  18.469 -13.272  -8.112
  476   2HO*    U 205          2HO*        U 205  20.833 -14.757  -7.409
  477    H1*    U 205           H1*        U 205  18.779 -15.948  -7.170
  478    H3     U 205           H3         U 205  14.578 -16.291  -8.727
  479    H5     U 205           H5         U 205  14.209 -13.474  -5.650
  480    H6     U 205           H6         U 205  16.648 -13.562  -5.411
  481   1H5*    A 206          1H5*        A 206  20.854 -11.991  -8.737
  482   2H5*    A 206          2H5*        A 206  21.739 -10.581  -9.316
  483    H4*    A 206           H4*        A 206  20.464 -11.224 -11.145
  484    H3*    A 206           H3*        A 206  19.034  -8.998  -9.692
  485   1H2*    A 206          1H2*        A 206  17.331  -9.082 -11.242
  486   2HO*    A 206          2HO*        A 206  17.939  -9.467 -13.397
  487    H1*    A 206           H1*        A 206  17.698 -11.840 -11.991
  488    H8     A 206           H8         A 206  17.174 -10.753  -8.380
  489   1H6     A 206          1H6         A 206  11.193 -12.311  -9.251
  490   2H6     A 206          2H6         A 206  12.361 -11.779  -8.061
  491    H2     A 206           H2         A 206  13.311 -12.697 -13.138
  492   1H5*    G 207          1H5*        G 207  19.781  -7.826 -13.356
  493   2H5*    G 207          2H5*        G 207  19.775  -6.135 -13.855
  494    H4*    G 207           H4*        G 207  17.743  -7.020 -14.617
  495    H3*    G 207           H3*        G 207  17.092  -5.649 -11.980
  496   1H2*    G 207          1H2*        G 207  14.895  -5.592 -12.824
  497   2HO*    G 207          2HO*        G 207  14.755  -6.080 -15.221
  498    H1*    G 207           H1*        G 207  15.164  -8.141 -14.099
  499    H8     G 207           H8         G 207  16.171  -7.546 -10.470
  500    H1     G 207           H1         G 207  10.246 -10.011 -11.303
  501   1H2     G 207          1H2         G 207   9.805 -10.080 -13.317
  502   2H2     G 207          2H2         G 207  10.881  -9.547 -14.589
  503   1H5*    C 208          1H5*        C 208  17.646  -2.525 -15.265
  504   2H5*    C 208          2H5*        C 208  17.540  -0.818 -14.837
  505    H4*    C 208           H4*        C 208  15.665  -1.468 -16.222
  506    H3*    C 208           H3*        C 208  15.188  -0.513 -13.460
  507   1H2*    C 208          1H2*        C 208  12.970  -1.182 -13.366
  508   2HO*    C 208          2HO*        C 208  12.900  -1.701 -16.155
  509    H1*    C 208           H1*        C 208  13.350  -3.481 -15.083
  510   1H4     C 208          1H4         C 208  12.160  -6.156  -9.433
  511   2H4     C 208          2H4         C 208  13.605  -5.434  -8.761
  512    H5     C 208           H5         C 208  15.015  -3.960  -9.951
  513    H6     C 208           H6         C 208  15.391  -2.807 -12.103
  514   1H5*    G 209          1H5*        G 209  12.877   1.246 -16.170
  515   2H5*    G 209          2H5*        G 209  12.021   2.788 -16.192
  516    H4*    G 209           H4*        G 209  10.677   1.194 -15.031
  517    H3*    G 209           H3*        G 209  11.962   2.934 -12.891
  518   1H2*    G 209          1H2*        G 209  10.062   2.330 -11.673
  519   2HO*    G 209          2HO*        G 209   8.659   3.048 -13.341
  520    H1*    G 209           H1*        G 209   9.759  -0.226 -12.829
  521    H8     G 209           H8         G 209  13.091   1.268 -11.659
  522    H1     G 209           H1         G 209  10.394  -3.022  -7.633
  523   1H2     G 209          1H2         G 209   8.567  -3.615  -8.381
  524   2H2     G 209          2H2         G 209   7.868  -3.035  -9.877
  525   1H5*    G 210          1H5*        G 210  10.619   7.181 -11.745
  526   2H5*    G 210          2H5*        G 210  10.690   5.426 -11.594
  527    H4*    G 210           H4*        G 210   8.436   5.197 -11.475
  528    H3*    G 210           H3*        G 210   8.315   6.914 -13.733
  529   1H2*    G 210          1H2*        G 210   7.405   8.796 -12.833
  530   2HO*    G 210          2HO*        G 210   5.260   8.155 -11.697
  531    H1*    G 210           H1*        G 210   6.899   7.811 -10.106
  532    H8     G 210           H8         G 210  10.067   9.059 -11.884
  533    H1     G 210           H1         G 210   7.743  12.935  -7.250
  534   1H2     G 210          1H2         G 210   6.010  12.125  -6.480
  535   2H2     G 210          2H2         G 210   5.294  10.619  -7.011
  536   1H5*    A 211          1H5*        A 211   7.575   3.603 -10.226
  537   2H5*    A 211          2H5*        A 211   8.043   2.254 -11.260
  538    H4*    A 211           H4*        A 211   6.738   0.973 -10.002
  539    H3*    A 211           H3*        A 211   4.988   1.937 -11.917
  540   1H2*    A 211          1H2*        A 211   3.797   3.451 -10.622
  541   2HO*    A 211          2HO*        A 211   2.006   2.199  -9.887
  542    H1*    A 211           H1*        A 211   4.450   1.695  -8.196
  543    H8     A 211           H8         A 211   4.811   5.412  -9.075
  544   1H6     A 211          1H6         A 211   1.543   6.443  -3.859
  545   2H6     A 211          2H6         A 211   2.380   7.220  -5.184
  546    H2     A 211           H2         A 211   1.876   2.052  -4.444
  547   1H5*    G 212          1H5*        G 212   3.435  -3.757  -9.268
  548   2H5*    G 212          2H5*        G 212   3.372  -2.491  -8.042
  549    H4*    G 212           H4*        G 212   5.615  -4.353  -8.742
  550    H3*    G 212           H3*        G 212   3.869  -4.015  -6.467
  551   1H2*    G 212          1H2*        G 212   5.305  -3.042  -4.996
  552   2HO*    G 212          2HO*        G 212   6.151  -5.212  -4.908
  553    H1*    G 212           H1*        G 212   7.561  -2.799  -6.922
  554    H8     G 212           H8         G 212   4.439  -0.763  -5.973
  555    H1     G 212           H1         G 212  10.117   2.210  -5.066
  556   1H2     G 212          1H2         G 212  11.651   0.946  -5.615
  557   2H2     G 212          2H2         G 212  11.432  -0.678  -6.231
  558   1H5*    G 213          1H5*        G 213   2.637  -5.229  -8.029
  559   2H5*    G 213          2H5*        G 213   1.430  -6.504  -8.196
  560    H4*    G 213           H4*        G 213   1.983  -6.162 -10.385
  561    H3*    G 213           H3*        G 213   3.744  -8.351  -9.341
  562   1H2*    G 213          1H2*        G 213   5.004  -8.392 -11.276
  563   2HO*    G 213          2HO*        G 213   2.973  -8.654 -12.432
  564    H1*    G 213           H1*        G 213   4.861  -5.707 -12.013
  565    H8     G 213           H8         G 213   5.377  -7.028  -8.442
  566    H1     G 213           H1         G 213  10.648  -4.630 -11.330
  567   1H2     G 213          1H2         G 213  10.176  -4.044 -13.251
  568   2H2     G 213          2H2         G 213   8.588  -4.183 -13.971
  569   1H5*    C 214          1H5*        C 214   1.468 -10.213 -12.599
  570   2H5*    C 214          2H5*        C 214   1.580 -11.972 -12.555
  571    H4*    C 214           H4*        C 214   2.866 -10.973 -14.398
  572    H3*    C 214           H3*        C 214   4.447 -12.460 -12.285
  573   1H2*    C 214          1H2*        C 214   6.291 -12.381 -13.757
  574   2HO*    C 214          2HO*        C 214   5.843 -12.229 -15.932
  575    H1*    C 214           H1*        C 214   5.964  -9.729 -14.485
  576   1H4     C 214          1H4         C 214   9.760  -9.096  -9.423
  577   2H4     C 214          2H4         C 214   8.522  -9.751  -8.374
  578    H5     C 214           H5         C 214   6.429 -10.534  -9.136
  579    H6     C 214           H6         C 214   4.992 -10.884 -11.114
  580   1H5*    U 215          1H5*        U 215   4.791 -14.154 -15.676
  581   2H5*    U 215          2H5*        U 215   5.089 -15.864 -15.987
  582    H4*    U 215           H4*        U 215   6.953 -14.180 -16.509
  583    H3*    U 215           H3*        U 215   7.299 -16.788 -15.080
  584   1H2*    U 215          1H2*        U 215   9.214 -15.959 -14.148
  585   2HO*    U 215          2HO*        U 215  10.230 -16.891 -15.879
  586    H1*    U 215           H1*        U 215   9.602 -13.543 -15.764
  587    H3     U 215           H3         U 215  11.087 -11.678 -11.977
  588    H5     U 215           H5         U 215   7.356 -13.195 -10.833
  589    H6     U 215           H6         U 215   7.163 -14.147 -13.085
  590   1H5*    A 216          1H5*        A 216  10.442 -17.086 -18.388
  591   2H5*    A 216          2H5*        A 216  10.416 -18.814 -18.742
  592    H4*    A 216           H4*        A 216  12.628 -18.184 -18.068
  593    H3*    A 216           H3*        A 216  11.113 -19.908 -16.137
  594   1H2*    A 216          1H2*        A 216  12.861 -19.868 -14.606
  595   2HO*    A 216          2HO*        A 216  14.673 -18.675 -16.404
  596    H1*    A 216           H1*        A 216  13.686 -17.185 -15.329
  597    H8     A 216           H8         A 216  10.149 -17.998 -14.200
  598   1H6     A 216          1H6         A 216  11.970 -16.047  -8.557
  599   2H6     A 216          2H6         A 216  10.595 -16.585  -9.496
  600    H2     A 216           H2         A 216  15.523 -16.095 -11.225
  601   1H5*    G 217          1H5*        G 217  14.512 -21.473 -17.071
  602   2H5*    G 217          2H5*        G 217  15.007 -23.164 -17.027
  603    H4*    G 217           H4*        G 217  15.984 -22.144 -15.144
  604    H3*    G 217           H3*        G 217  13.484 -23.593 -14.200
  605   1H2*    G 217          1H2*        G 217  14.370 -23.360 -12.058
  606   2HO*    G 217          2HO*        G 217  16.865 -22.783 -13.369
  607    H1*    G 217           H1*        G 217  15.720 -20.889 -12.648
  608    H8     G 217           H8         G 217  12.016 -21.434 -13.353
  609    H1     G 217           H1         G 217  13.330 -18.486  -7.743
  610   1H2     G 217          1H2         G 217  15.369 -18.461  -7.439
  611   2H2     G 217          2H2         G 217  16.547 -19.139  -8.539
  612   1H5*    U 218          1H5*        U 218  16.666 -25.780 -13.062
  613   2H5*    U 218          2H5*        U 218  16.525 -27.513 -12.769
  614    H4*    U 218           H4*        U 218  16.962 -26.582 -10.672
  615    H3*    U 218           H3*        U 218  13.957 -26.974 -10.873
  616   1H2*    U 218          1H2*        U 218  13.925 -26.682  -8.532
  617   2HO*    U 218          2HO*        U 218  16.218 -26.648  -7.564
  618    H1*    U 218           H1*        U 218  15.811 -24.587  -8.555
  619    H3     U 218           H3         U 218  12.250 -22.111  -7.424
  620    H5     U 218           H5         U 218  11.190 -23.572 -11.203
  621    H6     U 218           H6         U 218  13.262 -24.882 -11.169
  622   1H5*    C 219          1H5*        C 219  15.468 -29.306  -8.295
  623   2H5*    C 219          2H5*        C 219  15.079 -30.993  -7.958
  624    H4*    C 219           H4*        C 219  14.648 -29.892  -5.952
  625    H3*    C 219           H3*        C 219  12.036 -30.212  -7.449
  626   1H2*    C 219          1H2*        C 219  10.929 -29.377  -5.578
  627   2HO*    C 219          2HO*        C 219  13.048 -29.418  -3.807
  628    H1*    C 219           H1*        C 219  12.795 -27.483  -4.795
  629   1H4     C 219          1H4         C 219   9.095 -23.983  -8.601
  630   2H4     C 219          2H4         C 219   9.539 -24.960  -9.983
  631    H5     C 219           H5         C 219  10.954 -26.846  -9.862
  632    H6     C 219           H6         C 219  12.305 -28.276  -8.370
  633   1H5*    C 220          1H5*        C 220  11.908 -32.166  -4.190
  634   2H5*    C 220          2H5*        C 220  11.326 -33.803  -3.885
  635    H4*    C 220           H4*        C 220  10.142 -32.053  -2.588
  636    H3*    C 220           H3*        C 220   8.834 -34.109  -4.179
  637   1H2*    C 220          1H2*        C 220   7.391 -32.533  -5.111
  638   2HO*    C 220          2HO*        C 220   5.632 -32.907  -3.817
  639    H1*    C 220           H1*        C 220   7.257 -30.585  -2.920
  640   1H4     C 220          1H4         C 220   7.815 -26.565  -7.807
  641   2H4     C 220          2H4         C 220   8.870 -27.674  -8.654
  642    H5     C 220           H5         C 220   9.534 -29.772  -7.797
  643    H6     C 220           H6         C 220   9.350 -31.338  -5.898
   
  No H/Q in entry =         643
  Start of MODEL   17
    1    H    MET   1           HN       MET   1   7.683 -12.829   5.341
    2    HA   MET   1           HA       MET   1   5.213 -14.317   5.774
    3   1HB   MET   1          2HB       MET   1   4.170 -12.077   6.097
    4   2HB   MET   1          3HB       MET   1   5.542 -12.254   7.172
    5   1HG   MET   1          2HG       MET   1   6.348 -11.158   4.557
    6   2HG   MET   1          3HG       MET   1   5.127 -10.164   5.327
    7   1HE   MET   1          1HE       MET   1   6.076  -8.276   5.832
    8   2HE   MET   1          2HE       MET   1   7.359  -7.921   7.014
    9   3HE   MET   1          3HE       MET   1   7.785  -8.364   5.343
   10    H    GLN   2           HN       GLN   2   3.337 -13.610   4.288
   11    HA   GLN   2           HA       GLN   2   3.904 -14.204   1.732
   12   1HB   GLN   2          2HB       GLN   2   1.649 -12.840   3.131
   13   2HB   GLN   2          3HB       GLN   2   1.697 -12.613   1.394
   14   1HG   GLN   2          2HG       GLN   2   2.244 -15.409   2.085
   15   2HG   GLN   2          3HG       GLN   2   0.730 -14.883   2.793
   16   1HE2  GLN   2          2HE2      GLN   2  -1.075 -15.112  -0.136
   17   2HE2  GLN   2          1HE2      GLN   2  -0.991 -15.090   1.594
   18    H    LYS   3           HN       LYS   3   3.358 -12.615  -0.251
   19    HA   LYS   3           HA       LYS   3   3.915 -10.855  -1.472
   20   1HB   LYS   3          2HB       LYS   3   3.655  -9.696   1.182
   21   2HB   LYS   3          3HB       LYS   3   4.881  -8.862   0.250
   22   1HG   LYS   3          2HG       LYS   3   3.371  -8.128  -1.363
   23   2HG   LYS   3          3HG       LYS   3   2.330  -9.528  -1.189
   24   1HD   LYS   3          2HD       LYS   3   2.589  -7.378   0.962
   25   2HD   LYS   3          3HD       LYS   3   1.376  -7.320  -0.302
   26   1HE   LYS   3          2HE       LYS   3   1.679  -9.767   1.485
   27   2HE   LYS   3          3HE       LYS   3   0.707  -8.395   1.979
   28   1HZ   LYS   3          1HZ       LYS   3   0.006  -9.061  -0.661
   29   2HZ   LYS   3          2HZ       LYS   3  -0.025 -10.435   0.210
   30    H    GLY   4           HN       GLY   4   5.630 -12.764  -1.704
   31   1HA   GLY   4          1HA       GLY   4   8.210 -12.470  -0.681
   32   2HA   GLY   4          2HA       GLY   4   7.761 -13.312  -2.152
   33    H    ASN   5           HN       ASN   5   6.462 -10.644  -3.139
   34    HA   ASN   5           HA       ASN   5   8.587  -9.867  -4.705
   35   1HB   ASN   5          2HB       ASN   5   5.856  -9.352  -4.620
   36   2HB   ASN   5          3HB       ASN   5   6.509  -7.786  -4.178
   37   1HD2  ASN   5          2HD2      ASN   5   7.583  -6.892  -7.345
   38   2HD2  ASN   5          1HD2      ASN   5   7.337  -6.496  -5.677
   39    H    PHE   6           HN       PHE   6   7.852  -9.224  -1.395
   40    HA   PHE   6           HA       PHE   6   8.634  -6.592  -1.073
   41   1HB   PHE   6          2HB       PHE   6   7.576  -8.277   0.578
   42   2HB   PHE   6          3HB       PHE   6   9.150  -9.031   0.732
   43    HD1  PHE   6           HD1      PHE   6   7.172  -6.042   1.515
   44    HD2  PHE   6           HD2      PHE   6  10.905  -7.995   2.020
   45    HE1  PHE   6           HE1      PHE   6   7.761  -4.440   3.354
   46    HE2  PHE   6           HE2      PHE   6  11.494  -6.392   3.860
   47    HZ   PHE   6           HZ       PHE   6   9.916  -4.634   4.504
   48    H    ARG   7           HN       ARG   7  10.511  -9.415  -1.926
   49    HA   ARG   7           HA       ARG   7  12.913  -8.761  -0.777
   50   1HB   ARG   7          2HB       ARG   7  12.204 -10.225  -3.358
   51   2HB   ARG   7          3HB       ARG   7  13.866 -10.076  -2.823
   52   1HG   ARG   7          2HG       ARG   7  12.017 -10.980  -0.684
   53   2HG   ARG   7          3HG       ARG   7  12.094 -12.081  -2.045
   54   1HD   ARG   7          2HD       ARG   7  13.864 -12.843  -0.679
   55   2HD   ARG   7          3HD       ARG   7  14.699 -11.832  -1.841
   56    HE   ARG   7           HE       ARG   7  15.140 -10.250  -0.147
   57   1HH1  ARG   7          2HH2      ARG   7  12.816 -12.649   1.034
   58   2HH1  ARG   7          1HH2      ARG   7  12.919 -12.121   2.680
   59    HH2  ARG   7           HH1      ARG   7  14.371 -10.300   3.239
   60    H    ASN   8           HN       ASN   8  11.102  -7.045  -3.115
   61    HA   ASN   8           HA       ASN   8  12.999  -6.158  -4.870
   62   1HB   ASN   8          2HB       ASN   8  10.542  -5.706  -5.057
   63   2HB   ASN   8          3HB       ASN   8  10.626  -4.627  -3.680
   64   1HD2  ASN   8          1HD2      ASN   8  10.343  -2.651  -4.383
   65   2HD2  ASN   8          2HD2      ASN   8  11.152  -1.886  -5.710
   66    H    GLN   9           HN       GLN   9  12.108  -5.097  -1.545
   67    HA   GLN   9           HA       GLN   9  13.549  -2.731  -1.541
   68   1HB   GLN   9          2HB       GLN   9  12.621  -4.611   0.655
   69   2HB   GLN   9          3HB       GLN   9  13.519  -3.154   1.032
   70   1HG   GLN   9          2HG       GLN   9  11.374  -2.280   1.118
   71   2HG   GLN   9          3HG       GLN   9  11.703  -2.013  -0.582
   72   1HE2  GLN   9          2HE2      GLN   9   9.202  -4.074  -1.788
   73   2HE2  GLN   9          1HE2      GLN   9  10.436  -2.889  -2.059
   74    H    ARG  10           HN       ARG  10  14.635  -5.958  -1.774
   75    HA   ARG  10           HA       ARG  10  16.878  -5.878  -0.164
   76   1HB   ARG  10          2HB       ARG  10  17.549  -7.872  -1.308
   77   2HB   ARG  10          3HB       ARG  10  15.798  -7.893  -1.385
   78   1HG   ARG  10          2HG       ARG  10  16.042  -6.696  -3.679
   79   2HG   ARG  10          3HG       ARG  10  17.744  -7.104  -3.591
   80   1HD   ARG  10          2HD       ARG  10  17.314  -9.456  -3.653
   81   2HD   ARG  10          3HD       ARG  10  15.634  -9.255  -3.193
   82    HE   ARG  10           HE       ARG  10  15.106  -8.949  -5.444
   83   1HH1  ARG  10          2HH2      ARG  10  18.540  -8.192  -5.000
   84   2HH1  ARG  10          1HH2      ARG  10  18.832  -7.945  -6.688
   85    HH2  ARG  10           HH1      ARG  10  17.024  -8.204  -8.242
   86    H    LYS  11           HN       LYS  11  16.092  -4.036  -2.924
   87    HA   LYS  11           HA       LYS  11  18.940  -3.546  -3.462
   88   1HB   LYS  11          2HB       LYS  11  17.998  -4.592  -5.395
   89   2HB   LYS  11          3HB       LYS  11  16.577  -3.567  -5.353
   90   1HG   LYS  11          2HG       LYS  11  17.714  -1.703  -6.192
   91   2HG   LYS  11          3HG       LYS  11  19.255  -2.200  -5.521
   92   1HD   LYS  11          2HD       LYS  11  19.837  -3.260  -7.443
   93   2HD   LYS  11          3HD       LYS  11  18.349  -4.186  -7.453
   94   1HE   LYS  11          2HE       LYS  11  18.273  -1.269  -8.270
   95   2HE   LYS  11          3HE       LYS  11  18.871  -2.457  -9.410
   96   1HZ   LYS  11          1HZ       LYS  11  16.724  -3.708  -8.935
   97   2HZ   LYS  11          2HZ       LYS  11  16.179  -2.372  -8.181
   98    H    THR  12           HN       THR  12  17.497  -2.368  -1.283
   99    HA   THR  12           HA       THR  12  16.693  -0.403  -0.507
  100    HB   THR  12           HB       THR  12  19.331  -0.376  -0.907
  101    HG1  THR  12           HG1      THR  12  17.868   0.922   0.575
  102   1HG2  THR  12          1HG2      THR  12  18.541   0.829  -3.310
  103   2HG2  THR  12          2HG2      THR  12  18.855   2.224  -2.250
  104   3HG2  THR  12          3HG2      THR  12  20.136   1.023  -2.544
  105    H    VAL  13           HN       VAL  13  15.061  -1.134  -2.608
  106    HA   VAL  13           HA       VAL  13  14.796   0.467  -4.752
  107    HB   VAL  13           HB       VAL  13  12.351   0.114  -4.502
  108   1HG1  VAL  13          3HG1      VAL  13  14.437  -1.946  -4.525
  109   2HG1  VAL  13          1HG1      VAL  13  12.851  -2.560  -4.002
  110   3HG1  VAL  13          2HG1      VAL  13  13.014  -1.742  -5.574
  111   1HG2  VAL  13          2HG2      VAL  13  13.201  -0.763  -1.752
  112   2HG2  VAL  13          3HG2      VAL  13  11.827   0.256  -2.244
  113   3HG2  VAL  13          1HG2      VAL  13  11.778  -1.501  -2.525
  114    H    LYS  14           HN       LYS  14  13.563   2.436  -5.223
  115    HA   LYS  14           HA       LYS  14  13.797   4.318  -2.996
  116   1HB   LYS  14          2HB       LYS  14  15.047   5.247  -4.662
  117   2HB   LYS  14          3HB       LYS  14  14.126   4.493  -5.947
  118   1HG   LYS  14          2HG       LYS  14  12.644   6.495  -4.281
  119   2HG   LYS  14          3HG       LYS  14  13.918   7.140  -5.296
  120   1HD   LYS  14          2HD       LYS  14  11.822   5.231  -6.406
  121   2HD   LYS  14          3HD       LYS  14  11.528   6.956  -6.319
  122   1HE   LYS  14          2HE       LYS  14  12.600   7.146  -8.314
  123   2HE   LYS  14          3HE       LYS  14  14.092   6.790  -7.467
  124   1HZ   LYS  14          1HZ       LYS  14  13.769   4.444  -7.926
  125   2HZ   LYS  14          2HZ       LYS  14  12.306   4.699  -8.593
  126    H    CYS  15           HN       CYS  15  12.014   5.132  -2.020
  127    HA   CYS  15           HA       CYS  15   9.505   4.104  -2.630
  128   1HB   CYS  15          2HB       CYS  15  10.142   4.916  -0.394
  129   2HB   CYS  15          3HB       CYS  15  10.223   6.559  -0.995
  130    H    PHE  16           HN       PHE  16   8.112   4.659  -4.271
  131    HA   PHE  16           HA       PHE  16   8.755   6.942  -5.892
  132   1HB   PHE  16          2HB       PHE  16   6.796   4.605  -5.850
  133   2HB   PHE  16          3HB       PHE  16   6.463   5.940  -6.936
  134    HD1  PHE  16           HD1      PHE  16   9.240   6.636  -7.782
  135    HD2  PHE  16           HD2      PHE  16   7.350   2.867  -7.305
  136    HE1  PHE  16           HE1      PHE  16  10.796   5.641  -9.481
  137    HE2  PHE  16           HE2      PHE  16   8.907   1.871  -9.004
  138    HZ   PHE  16           HZ       PHE  16  10.610   3.271 -10.072
  139    H    ASN  17           HN       ASN  17   7.550   7.028  -2.963
  140    HA   ASN  17           HA       ASN  17   5.280   8.705  -3.690
  141   1HB   ASN  17          2HB       ASN  17   5.020   6.638  -2.084
  142   2HB   ASN  17          3HB       ASN  17   5.858   7.618  -0.899
  143   1HD2  ASN  17          2HD2      ASN  17   2.636   8.584   0.105
  144   2HD2  ASN  17          1HD2      ASN  17   4.008   7.573   0.405
  145    H    CYS  18           HN       CYS  18   8.157   8.287  -1.520
  146    HA   CYS  18           HA       CYS  18   8.122  11.183  -1.081
  147   1HB   CYS  18          2HB       CYS  18   9.506  10.703   0.942
  148   2HB   CYS  18          3HB       CYS  18   7.881  10.048   1.018
  149    H    GLY  19           HN       GLY  19  10.001   8.257  -1.980
  150   1HA   GLY  19          1HA       GLY  19  11.593   8.467  -3.763
  151   2HA   GLY  19          2HA       GLY  19  12.063  10.033  -3.133
  152    H    LYS  20           HN       LYS  20  11.718   8.746  -0.269
  153    HA   LYS  20           HA       LYS  20  14.418   8.283   0.174
  154   1HB   LYS  20          2HB       LYS  20  11.930   8.249   1.690
  155   2HB   LYS  20          3HB       LYS  20  13.029   6.998   2.235
  156   1HG   LYS  20          2HG       LYS  20  14.798   9.069   1.967
  157   2HG   LYS  20          3HG       LYS  20  13.343   9.974   2.330
  158   1HD   LYS  20          2HD       LYS  20  13.499   7.681   4.109
  159   2HD   LYS  20          3HD       LYS  20  15.021   8.547   4.159
  160   1HE   LYS  20          2HE       LYS  20  14.038  10.523   4.975
  161   2HE   LYS  20          3HE       LYS  20  12.469  10.158   4.284
  162   1HZ   LYS  20          1HZ       LYS  20  13.479   9.439   6.856
  163   2HZ   LYS  20          2HZ       LYS  20  11.942   9.394   6.321
  164    H    GLU  21           HN       GLU  21  15.722   6.471   0.209
  165    HA   GLU  21           HA       GLU  21  14.606   4.205  -1.156
  166   1HB   GLU  21          2HB       GLU  21  17.361   5.212  -0.508
  167   2HB   GLU  21          3HB       GLU  21  17.182   3.486  -0.751
  168   1HG   GLU  21          2HG       GLU  21  17.058   3.765  -2.996
  169   2HG   GLU  21          3HG       GLU  21  15.690   4.848  -2.823
  170    HE2  GLU  21           HE2      GLU  21  17.929   5.073  -4.575
  171    H    GLY  22           HN       GLY  22  14.523   2.054  -0.321
  172   1HA   GLY  22          1HA       GLY  22  15.340   0.641   1.575
  173   2HA   GLY  22          2HA       GLY  22  14.754   1.916   2.626
  174    H    HIS  23           HN       HIS  23  12.347   2.635   1.188
  175    HA   HIS  23           HA       HIS  23  10.853   0.123   1.273
  176   1HB   HIS  23          2HB       HIS  23   9.167   1.021   2.644
  177   2HB   HIS  23          3HB       HIS  23  10.680   1.422   3.431
  178    HD1  HIS  23           HD1      HIS  23  11.212   3.890   3.805
  179    HD2  HIS  23           HD2      HIS  23   7.858   3.275   1.362
  180    HE1  HIS  23           HE1      HIS  23  10.114   6.176   3.509
  181    H    ILE  24           HN       ILE  24   8.757   0.242   0.083
  182    HA   ILE  24           HA       ILE  24   9.029   2.132  -2.141
  183    HB   ILE  24           HB       ILE  24   7.882   0.553  -3.489
  184   1HG1  ILE  24          2HG1      ILE  24   7.492  -1.190  -1.039
  185   2HG1  ILE  24          3HG1      ILE  24   6.249  -0.168  -1.734
  186   1HG2  ILE  24          2HG2      ILE  24  10.046  -0.685  -1.783
  187   2HG2  ILE  24          3HG2      ILE  24   9.369  -1.482  -3.223
  188   3HG2  ILE  24          1HG2      ILE  24  10.196   0.087  -3.379
  189   1HD1  ILE  24          1HD1      ILE  24   6.456  -1.380  -3.907
  190   2HD1  ILE  24          2HD1      ILE  24   7.703  -2.426  -3.187
  191   3HD1  ILE  24          3HD1      ILE  24   6.034  -2.480  -2.573
  192    H    ALA  25           HN       ALA  25   6.999   3.038  -3.052
  193    HA   ALA  25           HA       ALA  25   5.534   4.390  -1.204
  194   1HB   ALA  25          1HB       ALA  25   4.824   3.483  -4.019
  195   2HB   ALA  25          2HB       ALA  25   3.885   4.683  -3.098
  196   3HB   ALA  25          3HB       ALA  25   5.577   5.021  -3.533
  197    H    LYS  26           HN       LYS  26   5.024   1.094  -2.500
  198    HA   LYS  26           HA       LYS  26   2.425   0.736  -1.569
  199   1HB   LYS  26          2HB       LYS  26   4.587  -1.365  -1.885
  200   2HB   LYS  26          3HB       LYS  26   2.855  -1.633  -1.874
  201   1HG   LYS  26          2HG       LYS  26   3.880   0.375  -3.859
  202   2HG   LYS  26          3HG       LYS  26   4.295  -1.300  -4.164
  203   1HD   LYS  26          2HD       LYS  26   1.485  -1.087  -3.387
  204   2HD   LYS  26          3HD       LYS  26   1.821  -0.006  -4.724
  205   1HE   LYS  26          2HE       LYS  26   3.134  -2.170  -5.666
  206   2HE   LYS  26          3HE       LYS  26   2.014  -3.013  -4.615
  207   1HZ   LYS  26          1HZ       LYS  26   0.352  -2.605  -6.056
  208   2HZ   LYS  26          2HZ       LYS  26   0.671  -1.010  -6.143
  209    H    ASN  27           HN       ASN  27   5.633   0.124  -0.012
  210    HA   ASN  27           HA       ASN  27   4.246  -0.566   2.414
  211   1HB   ASN  27          2HB       ASN  27   7.223  -0.461   1.695
  212   2HB   ASN  27          3HB       ASN  27   6.625  -0.962   3.264
  213   1HD2  ASN  27          2HD2      ASN  27   7.076  -3.670   0.441
  214   2HD2  ASN  27          1HD2      ASN  27   7.889  -2.150   0.621
  215    H    CYS  28           HN       CYS  28   4.712   2.256   0.931
  216    HA   CYS  28           HA       CYS  28   6.189   3.705   2.906
  217   1HB   CYS  28          2HB       CYS  28   6.274   4.353   0.534
  218   2HB   CYS  28          3HB       CYS  28   4.553   4.685   0.543
  219    H    ARG  29           HN       ARG  29   5.308   4.976   4.582
  220    HA   ARG  29           HA       ARG  29   2.622   4.333   5.250
  221   1HB   ARG  29          2HB       ARG  29   4.998   5.229   6.627
  222   2HB   ARG  29          3HB       ARG  29   3.721   6.377   6.980
  223   1HG   ARG  29          2HG       ARG  29   2.379   3.959   7.233
  224   2HG   ARG  29          3HG       ARG  29   3.982   3.532   7.798
  225   1HD   ARG  29          2HD       ARG  29   3.941   5.383   9.441
  226   2HD   ARG  29          3HD       ARG  29   2.396   5.935   8.826
  227    HE   ARG  29           HE       ARG  29   2.433   3.127   9.727
  228   1HH1  ARG  29          2HH2      ARG  29   1.770   6.491  10.615
  229   2HH1  ARG  29          1HH2      ARG  29   0.749   6.069  11.948
  230    HH2  ARG  29           HH1      ARG  29   0.360   3.756  12.442
  231    H    ALA  30           HN       ALA  30   4.456   7.055   3.888
  232    HA   ALA  30           HA       ALA  30   2.740   9.149   4.428
  233   1HB   ALA  30          2HB       ALA  30   4.475   8.586   1.989
  234   2HB   ALA  30          3HB       ALA  30   3.777  10.170   2.402
  235   3HB   ALA  30          1HB       ALA  30   4.978   9.419   3.480
  236    HA   PRO  31           HA       PRO  31  -0.728   8.395   1.958
  237   1HB   PRO  31          2HB       PRO  31  -1.622  10.922   1.427
  238   2HB   PRO  31          3HB       PRO  31  -1.911  10.105   2.950
  239   1HG   PRO  31          2HG       PRO  31  -0.003  12.281   2.348
  240   2HG   PRO  31          3HG       PRO  31  -0.608  11.749   3.906
  241   1HD   PRO  31          2HD       PRO  31   1.974  11.193   2.785
  242   2HD   PRO  31          3HD       PRO  31   1.327  10.567   4.288
  243    H    ARG  32           HN       ARG  32  -1.681   8.292  -0.137
  244    HA   ARG  32           HA       ARG  32   0.216   8.114  -2.079
  245   1HB   ARG  32          2HB       ARG  32  -2.484   7.527  -1.861
  246   2HB   ARG  32          3HB       ARG  32  -2.522   8.826  -3.036
  247   1HG   ARG  32          2HG       ARG  32  -2.127   7.124  -4.530
  248   2HG   ARG  32          3HG       ARG  32  -0.456   7.386  -4.072
  249   1HD   ARG  32          2HD       ARG  32  -2.184   5.469  -2.469
  250   2HD   ARG  32          3HD       ARG  32  -1.455   4.942  -3.973
  251    HE   ARG  32           HE       ARG  32   0.726   5.183  -3.005
  252   1HH1  ARG  32          2HH2      ARG  32  -1.836   6.093  -0.733
  253   2HH1  ARG  32          1HH2      ARG  32  -0.798   6.036   0.653
  254    HH2  ARG  32           HH1      ARG  32   1.509   5.452   0.368
  255    H    LYS  33           HN       LYS  33   1.514   9.827  -2.720
  256    HA   LYS  33           HA       LYS  33   0.108  12.271  -3.530
  257   1HB   LYS  33          2HB       LYS  33   1.671  12.151  -1.300
  258   2HB   LYS  33          3HB       LYS  33   2.868  12.584  -2.505
  259   1HG   LYS  33          2HG       LYS  33   0.632  14.206  -3.122
  260   2HG   LYS  33          3HG       LYS  33   0.702  14.212  -1.371
  261   1HD   LYS  33          2HD       LYS  33   3.366  14.514  -2.631
  262   2HD   LYS  33          3HD       LYS  33   2.255  15.797  -3.068
  263   1HE   LYS  33          2HE       LYS  33   1.732  16.065  -0.571
  264   2HE   LYS  33          3HE       LYS  33   3.037  14.942  -0.243
  265   1HZ   LYS  33          1HZ       LYS  33   4.212  16.891  -0.220
  266   2HZ   LYS  33          2HZ       LYS  33   4.307  16.649  -1.828
  267    H    LYS  34           HN       LYS  34   1.930  13.651  -4.873
  268    HA   LYS  34           HA       LYS  34   3.501  11.866  -6.517
  269   1HB   LYS  34          2HB       LYS  34   0.973  13.169  -7.450
  270   2HB   LYS  34          3HB       LYS  34   2.325  13.095  -8.562
  271   1HG   LYS  34          2HG       LYS  34   2.487  10.626  -8.208
  272   2HG   LYS  34          3HG       LYS  34   1.145  10.694  -7.084
  273   1HD   LYS  34          2HD       LYS  34   0.597  11.962  -9.724
  274   2HD   LYS  34          3HD       LYS  34   0.901  10.238  -9.802
  275   1HE   LYS  34          2HE       LYS  34  -0.827  10.680  -7.547
  276   2HE   LYS  34          3HE       LYS  34  -1.481  11.608  -8.883
  277   1HZ   LYS  34          1HZ       LYS  34  -0.929   9.318 -10.128
  278   2HZ   LYS  34          2HZ       LYS  34  -1.214   8.719  -8.639
  279    H    GLY  35           HN       GLY  35   4.638  13.510  -4.771
  280   1HA   GLY  35          1HA       GLY  35   5.135  16.071  -6.129
  281   2HA   GLY  35          2HA       GLY  35   5.498  15.679  -4.461
  282    H    CYS  36           HN       CYS  36   6.982  16.363  -7.292
  283    HA   CYS  36           HA       CYS  36   8.782  14.304  -7.709
  284   1HB   CYS  36          2HB       CYS  36   8.558  16.006  -9.367
  285   2HB   CYS  36          3HB       CYS  36   8.957  17.280  -8.233
  286    H    TRP  37           HN       TRP  37  10.328  13.493  -6.337
  287    HA   TRP  37           HA       TRP  37  11.015  15.008  -3.979
  288   1HB   TRP  37          2HB       TRP  37  12.504  12.567  -4.311
  289   2HB   TRP  37          3HB       TRP  37  11.358  13.025  -3.067
  290    HD1  TRP  37           HD1      TRP  37   8.662  12.462  -3.690
  291    HE1  TRP  37           HE1      TRP  37   7.550  10.494  -5.051
  292    HE3  TRP  37           HE3      TRP  37  12.881  11.097  -6.179
  293    HZ2  TRP  37           HZ2      TRP  37   8.537   8.630  -6.973
  294    HZ3  TRP  37           HZ3      TRP  37  12.721   9.193  -7.779
  295    HH2  TRP  37           HH2      TRP  37  10.644   7.973  -8.193
  296    H    LYS  38           HN       LYS  38  11.760  16.254  -6.473
  297    HA   LYS  38           HA       LYS  38  14.671  16.123  -6.172
  298   1HB   LYS  38          2HB       LYS  38  13.358  15.093  -8.369
  299   2HB   LYS  38          3HB       LYS  38  13.742  16.719  -8.898
  300   1HG   LYS  38          2HG       LYS  38  15.636  15.336  -9.477
  301   2HG   LYS  38          3HG       LYS  38  16.137  16.335  -8.127
  302   1HD   LYS  38          2HD       LYS  38  15.313  14.300  -6.646
  303   2HD   LYS  38          3HD       LYS  38  15.440  13.384  -8.134
  304   1HE   LYS  38          2HE       LYS  38  17.742  15.112  -7.140
  305   2HE   LYS  38          3HE       LYS  38  17.530  13.466  -6.577
  306   1HZ   LYS  38          1HZ       LYS  38  17.565  12.764  -8.954
  307   2HZ   LYS  38          2HZ       LYS  38  17.895  14.293  -9.407
  308    H    CYS  39           HN       CYS  39  11.806  17.952  -7.421
  309    HA   CYS  39           HA       CYS  39  13.297  20.395  -6.809
  310   1HB   CYS  39          2HB       CYS  39  11.615  21.516  -8.309
  311   2HB   CYS  39          3HB       CYS  39  12.693  20.392  -9.114
  312    H    GLY  40           HN       GLY  40  10.385  18.417  -6.250
  313   1HA   GLY  40          1HA       GLY  40   9.209  18.454  -4.238
  314   2HA   GLY  40          2HA       GLY  40   9.732  20.100  -3.942
  315    H    LYS  41           HN       LYS  41   8.625  19.244  -7.188
  316    HA   LYS  41           HA       LYS  41   6.299  20.949  -6.745
  317   1HB   LYS  41          2HB       LYS  41   8.226  20.840  -8.766
  318   2HB   LYS  41          3HB       LYS  41   6.807  20.113  -9.493
  319   1HG   LYS  41          2HG       LYS  41   5.609  22.225  -8.259
  320   2HG   LYS  41          3HG       LYS  41   7.204  22.914  -8.487
  321   1HD   LYS  41          2HD       LYS  41   6.916  21.931 -10.966
  322   2HD   LYS  41          3HD       LYS  41   5.211  22.012 -10.570
  323   1HE   LYS  41          2HE       LYS  41   5.921  24.483  -9.716
  324   2HE   LYS  41          3HE       LYS  41   7.196  24.252 -10.896
  325   1HZ   LYS  41          1HZ       LYS  41   4.375  23.733 -11.618
  326   2HZ   LYS  41          2HZ       LYS  41   4.994  25.236 -11.716
  327    H    GLU  42           HN       GLU  42   4.240  20.170  -6.731
  328    HA   GLU  42           HA       GLU  42   4.001  17.313  -6.970
  329   1HB   GLU  42          2HB       GLU  42   1.791  17.622  -5.951
  330   2HB   GLU  42          3HB       GLU  42   2.998  18.492  -5.025
  331   1HG   GLU  42          2HG       GLU  42   1.727  20.355  -5.261
  332   2HG   GLU  42          3HG       GLU  42   2.159  20.363  -6.960
  333    HE2  GLU  42           HE2      GLU  42  -0.350  20.564  -5.128
  334    H    GLY  43           HN       GLY  43   3.302  16.314  -8.809
  335   1HA   GLY  43          1HA       GLY  43   1.257  16.540 -10.359
  336   2HA   GLY  43          2HA       GLY  43   2.073  17.999 -10.886
  337    H    HIS  44           HN       HIS  44   4.777  17.279 -10.885
  338    HA   HIS  44           HA       HIS  44   4.756  15.254 -12.988
  339   1HB   HIS  44          2HB       HIS  44   6.652  16.301 -13.905
  340   2HB   HIS  44          3HB       HIS  44   5.556  17.597 -13.472
  341    HD1  HIS  44           HD1      HIS  44   6.359  19.326 -11.765
  342    HD2  HIS  44           HD2      HIS  44   8.961  16.061 -12.172
  343    HE1  HIS  44           HE1      HIS  44   8.485  19.943 -10.495
  344    H    GLN  45           HN       GLN  45   7.218  14.237 -13.079
  345    HA   GLN  45           HA       GLN  45   7.802  13.408 -10.348
  346   1HB   GLN  45          2HB       GLN  45   8.071  11.085 -11.084
  347   2HB   GLN  45          3HB       GLN  45   6.457  11.645 -11.473
  348   1HG   GLN  45          2HG       GLN  45   7.936  12.346 -13.752
  349   2HG   GLN  45          3HG       GLN  45   8.637  10.810 -13.283
  350   1HE2  GLN  45          2HE2      GLN  45   6.074   8.892 -14.560
  351   2HE2  GLN  45          1HE2      GLN  45   7.717   9.074 -14.044
  352    H    MET  46           HN       MET  46  10.052  12.399 -10.157
  353    HA   MET  46           HA       MET  46  11.932  14.118 -11.076
  354   1HB   MET  46          2HB       MET  46  12.302  12.520  -9.222
  355   2HB   MET  46          3HB       MET  46  12.144  11.156 -10.310
  356   1HG   MET  46          2HG       MET  46  14.168  12.654 -11.522
  357   2HG   MET  46          3HG       MET  46  14.485  12.907  -9.817
  358   1HE   MET  46          3HE       MET  46  14.658  10.968 -12.769
  359   2HE   MET  46          1HE       MET  46  15.372   9.392 -12.351
  360   3HE   MET  46          2HE       MET  46  13.608   9.615 -12.286
  361    H    LYS  47           HN       LYS  47  10.860  10.991 -12.531
  362    HA   LYS  47           HA       LYS  47  12.792  10.819 -14.503
  363   1HB   LYS  47          2HB       LYS  47  11.281   8.996 -13.889
  364   2HB   LYS  47          3HB       LYS  47   9.908   9.882 -14.522
  365   1HG   LYS  47          2HG       LYS  47  12.262   9.442 -16.356
  366   2HG   LYS  47          3HG       LYS  47  11.229   8.069 -16.008
  367   1HD   LYS  47          2HD       LYS  47  10.244  10.762 -17.066
  368   2HD   LYS  47          3HD       LYS  47  10.510   9.339 -18.054
  369   1HE   LYS  47          2HE       LYS  47   8.829   8.710 -15.727
  370   2HE   LYS  47          3HE       LYS  47   8.138  10.016 -16.670
  371   1HZ   LYS  47          1HZ       LYS  47   8.527   8.526 -18.671
  372   2HZ   LYS  47          2HZ       LYS  47   8.841   7.306 -17.638
  373    H    ASP  48           HN       ASP  48   9.785  12.748 -14.300
  374    HA   ASP  48           HA       ASP  48  10.487  13.840 -16.909
  375   1HB   ASP  48          2HB       ASP  48   8.122  12.734 -16.270
  376   2HB   ASP  48          3HB       ASP  48   7.813  14.319 -15.589
  377    HD1  ASP  48           HD2      ASP  48   8.603  16.001 -18.255
  378    H    CYS  49           HN       CYS  49  11.763  14.587 -14.354
  379    HA   CYS  49           HA       CYS  49  10.615  16.728 -13.082
  380   1HB   CYS  49          2HB       CYS  49  12.663  15.502 -12.346
  381   2HB   CYS  49          3HB       CYS  49  13.578  16.314 -13.601
  382    H    THR  50           HN       THR  50   9.826  18.574 -14.040
  383    HA   THR  50           HA       THR  50  10.875  19.437 -16.578
  384    HB   THR  50           HB       THR  50   8.439  19.479 -16.008
  385    HG1  THR  50           HG1      THR  50   8.837  21.138 -17.448
  386   1HG2  THR  50          3HG2      THR  50   9.478  21.025 -13.683
  387   2HG2  THR  50          1HG2      THR  50   8.122  21.809 -14.529
  388   3HG2  THR  50          2HG2      THR  50   7.929  20.168 -13.866
  389    H    GLU  51           HN       GLU  51  12.172  19.624 -13.572
  390    HA   GLU  51           HA       GLU  51  13.607  21.990 -14.340
  391   1HB   GLU  51          2HB       GLU  51  12.009  21.786 -11.762
  392   2HB   GLU  51          3HB       GLU  51  13.366  22.882 -11.922
  393   1HG   GLU  51          2HG       GLU  51  12.291  24.033 -13.809
  394   2HG   GLU  51          3HG       GLU  51  10.992  22.855 -13.843
  395    HE2  GLU  51           HE2      GLU  51   9.087  24.644 -11.944
  396    H    ARG  52           HN       ARG  52  15.036  19.989 -14.701
  397    HA   ARG  52           HA       ARG  52  15.905  18.597 -12.428
  398   1HB   ARG  52          2HB       ARG  52  16.541  18.694 -15.328
  399   2HB   ARG  52          3HB       ARG  52  17.930  18.302 -14.335
  400   1HG   ARG  52          2HG       ARG  52  17.134  16.221 -13.858
  401   2HG   ARG  52          3HG       ARG  52  15.548  16.838 -13.437
  402   1HD   ARG  52          2HD       ARG  52  15.105  15.494 -15.337
  403   2HD   ARG  52          3HD       ARG  52  15.173  17.109 -16.012
  404    HE   ARG  52           HE       ARG  52  17.748  15.671 -15.986
  405   1HH1  ARG  52          2HH2      ARG  52  14.844  16.475 -17.850
  406   2HH1  ARG  52          1HH2      ARG  52  15.582  16.134 -19.380
  407    HH2  ARG  52           HH1      ARG  52  17.862  15.398 -19.446
  408    H    GLN  53           HN       GLN  53  16.355  20.589 -11.057
  409    HA   GLN  53           HA       GLN  53  19.102  21.066 -11.001
  410   1HB   GLN  53          2HB       GLN  53  18.412  22.597 -12.917
  411   2HB   GLN  53          3HB       GLN  53  17.446  23.506 -11.772
  412   1HG   GLN  53          2HG       GLN  53  20.099  23.129 -10.657
  413   2HG   GLN  53          3HG       GLN  53  20.257  23.751 -12.288
  414   1HE2  GLN  53          2HE2      GLN  53  18.489  26.815 -11.684
  415   2HE2  GLN  53          1HE2      GLN  53  18.712  25.556 -12.854
  416    H    ALA  54           HN       ALA  54  19.091  20.613  -8.809
  417    HA   ALA  54           HA       ALA  54  17.473  22.428  -7.161
  418   1HB   ALA  54          1HB       ALA  54  16.469  20.160  -7.229
  419   2HB   ALA  54          2HB       ALA  54  18.011  19.470  -6.673
  420   3HB   ALA  54          3HB       ALA  54  17.090  20.559  -5.609
  421    H    ASN  55           HN       ASN  55  20.147  19.964  -6.955
  422    HA   ASN  55           HA       ASN  55  22.084  20.012  -5.984
  423   1HB   ASN  55          2HB       ASN  55  22.448  21.979  -7.549
  424   2HB   ASN  55          3HB       ASN  55  21.939  23.060  -6.267
  425   1HD2  ASN  55          2HD2      ASN  55  25.539  23.203  -6.050
  426   2HD2  ASN  55          1HD2      ASN  55  24.209  23.774  -7.001
  427   1H5*    G 201          1H5*        G 201   0.243 -19.958  -4.987
  428   2H5*    G 201          2H5*        G 201   1.237 -18.719  -4.221
  429    H4*    G 201           H4*        G 201   1.152 -20.965  -3.072
  430    H3*    G 201           H3*        G 201   3.905 -19.952  -3.880
  431   1H2*    G 201          1H2*        G 201   4.675 -21.390  -2.173
  432   2HO*    G 201          2HO*        G 201   2.836 -22.260  -0.766
  433    H1*    G 201           H1*        G 201   2.941 -23.478  -2.784
  434    H8     G 201           H8         G 201   4.608 -21.225  -5.407
  435    H1     G 201           H1         G 201   7.250 -27.087  -4.672
  436   1H2     G 201          1H2         G 201   6.276 -28.097  -3.162
  437   2H2     G 201          2H2         G 201   4.942 -27.453  -2.233
  438   1H5*    G 202          1H5*        G 202   3.854 -19.643  -0.072
  439   2H5*    G 202          2H5*        G 202   4.377 -18.144   0.694
  440    H4*    G 202           H4*        G 202   5.719 -19.739   1.696
  441    H3*    G 202           H3*        G 202   7.231 -18.467  -0.575
  442   1H2*    G 202          1H2*        G 202   9.128 -19.758  -0.044
  443   2HO*    G 202          2HO*        G 202   8.758 -19.355   2.231
  444    H1*    G 202           H1*        G 202   7.742 -22.148   0.338
  445    H8     G 202           H8         G 202   6.832 -19.639  -2.413
  446    H1     G 202           H1         G 202  10.352 -24.719  -4.332
  447   1H2     G 202          1H2         G 202  10.842 -25.875  -2.696
  448   2H2     G 202          2H2         G 202  10.369 -25.521  -1.050
  449   1H5*    A 203          1H5*        A 203  10.501 -18.600   2.922
  450   2H5*    A 203          2H5*        A 203  10.947 -16.919   2.638
  451    H4*    A 203           H4*        A 203  12.842 -18.510   2.477
  452    H3*    A 203           H3*        A 203  12.120 -16.680   0.235
  453   1H2*    A 203          1H2*        A 203  13.712 -17.600  -1.209
  454   2HO*    A 203          2HO*        A 203  15.533 -18.485  -0.270
  455    H1*    A 203           H1*        A 203  13.293 -20.284  -0.337
  456    H8     A 203           H8         A 203  10.409 -17.959  -1.248
  457   1H6     A 203          1H6         A 203  10.449 -20.835  -6.788
  458   2H6     A 203          2H6         A 203   9.606 -19.655  -5.809
  459    H2     A 203           H2         A 203  13.873 -22.363  -4.403
  460   1H5*    C 204          1H5*        C 204  16.325 -16.529   0.774
  461   2H5*    C 204          2H5*        C 204  17.013 -14.947   0.411
  462    H4*    C 204           H4*        C 204  18.004 -16.510  -1.072
  463    H3*    C 204           H3*        C 204  15.960 -14.747  -2.415
  464   1H2*    C 204          1H2*        C 204  16.548 -15.686  -4.498
  465   2HO*    C 204          2HO*        C 204  18.662 -16.895  -2.959
  466    H1*    C 204           H1*        C 204  16.672 -18.328  -3.466
  467   1H4     C 204          1H4         C 204  10.969 -18.228  -6.289
  468   2H4     C 204          2H4         C 204  10.389 -17.055  -5.127
  469    H5     C 204           H5         C 204  11.737 -16.099  -3.439
  470    H6     C 204           H6         C 204  13.994 -16.032  -2.441
  471   1H5*    U 205          1H5*        U 205  20.007 -13.990  -3.195
  472   2H5*    U 205          2H5*        U 205  20.782 -12.487  -3.698
  473    H4*    U 205           H4*        U 205  21.133 -14.066  -5.425
  474    H3*    U 205           H3*        U 205  19.173 -11.911  -6.068
  475   1H2*    U 205          1H2*        U 205  18.543 -12.881  -8.078
  476   2HO*    U 205          2HO*        U 205  20.597 -14.780  -8.128
  477    H1*    U 205           H1*        U 205  18.918 -15.594  -7.197
  478    H3     U 205           H3         U 205  14.575 -15.792  -8.380
  479    H5     U 205           H5         U 205  14.570 -13.122  -5.154
  480    H6     U 205           H6         U 205  17.018 -13.246  -5.174
  481   1H5*    A 206          1H5*        A 206  21.166 -11.911  -8.975
  482   2H5*    A 206          2H5*        A 206  21.922 -10.577  -9.846
  483    H4*    A 206           H4*        A 206  20.172 -11.193 -11.231
  484    H3*    A 206           H3*        A 206  19.018  -8.977  -9.497
  485   1H2*    A 206          1H2*        A 206  17.281  -8.928 -11.027
  486   2HO*    A 206          2HO*        A 206  17.833  -9.200 -13.191
  487    H1*    A 206           H1*        A 206  17.626 -11.693 -11.840
  488    H8     A 206           H8         A 206  16.984 -10.697  -8.231
  489   1H6     A 206          1H6         A 206  11.001 -12.053  -9.374
  490   2H6     A 206          2H6         A 206  12.138 -11.598  -8.125
  491    H2     A 206           H2         A 206  13.248 -12.352 -13.196
  492   1H5*    G 207          1H5*        G 207  19.778  -7.717 -13.081
  493   2H5*    G 207          2H5*        G 207  19.845  -6.059 -13.676
  494    H4*    G 207           H4*        G 207  17.759  -6.925 -14.348
  495    H3*    G 207           H3*        G 207  17.281  -5.240 -11.861
  496   1H2*    G 207          1H2*        G 207  15.045  -5.301 -12.473
  497   2HO*    G 207          2HO*        G 207  14.934  -6.014 -14.978
  498    H1*    G 207           H1*        G 207  15.305  -7.829 -13.887
  499    H8     G 207           H8         G 207  16.184  -7.435 -10.213
  500    H1     G 207           H1         G 207  10.196  -9.605 -11.352
  501   1H2     G 207          1H2         G 207   9.812  -9.537 -13.378
  502   2H2     G 207          2H2         G 207  10.945  -8.976 -14.587
  503   1H5*    C 208          1H5*        C 208  17.532  -1.706 -15.112
  504   2H5*    C 208          2H5*        C 208  17.079  -0.266 -14.201
  505    H4*    C 208           H4*        C 208  15.431  -1.529 -15.894
  506    H3*    C 208           H3*        C 208  14.951   0.244 -13.578
  507   1H2*    C 208          1H2*        C 208  12.912  -0.616 -13.041
  508   2HO*    C 208          2HO*        C 208  11.483  -0.943 -14.883
  509    H1*    C 208           H1*        C 208  13.091  -3.004 -14.753
  510   1H4     C 208          1H4         C 208  11.786  -5.385  -8.983
  511   2H4     C 208          2H4         C 208  13.375  -4.911  -8.426
  512    H5     C 208           H5         C 208  14.913  -3.678  -9.728
  513    H6     C 208           H6         C 208  15.308  -2.586 -11.907
  514   1H5*    G 209          1H5*        G 209  11.761   4.066 -16.482
  515   2H5*    G 209          2H5*        G 209  12.766   4.360 -15.063
  516    H4*    G 209           H4*        G 209  10.582   2.369 -15.481
  517    H3*    G 209           H3*        G 209  11.404   4.140 -13.150
  518   1H2*    G 209          1H2*        G 209   9.885   2.911 -11.886
  519   2HO*    G 209          2HO*        G 209   8.301   3.366 -13.593
  520    H1*    G 209           H1*        G 209  10.265   0.530 -13.535
  521    H8     G 209           H8         G 209  13.105   2.185 -11.640
  522    H1     G 209           H1         G 209  10.276  -2.730  -8.521
  523   1H2     G 209          1H2         G 209   8.615  -3.349  -9.576
  524   2H2     G 209          2H2         G 209   8.070  -2.642 -11.080
  525   1H5*    G 210          1H5*        G 210  10.520   6.460 -11.321
  526   2H5*    G 210          2H5*        G 210   9.821   5.007 -12.035
  527    H4*    G 210           H4*        G 210   8.211   5.432 -10.505
  528    H3*    G 210           H3*        G 210   7.442   6.664 -13.035
  529   1H2*    G 210          1H2*        G 210   6.813   8.632 -11.998
  530   2HO*    G 210          2HO*        G 210   4.889   7.430 -12.422
  531    H1*    G 210           H1*        G 210   6.291   7.829  -9.275
  532    H8     G 210           H8         G 210   9.591   8.407 -11.160
  533    H1     G 210           H1         G 210   8.116  12.825  -6.666
  534   1H2     G 210          1H2         G 210   6.295  12.362  -5.818
  535   2H2     G 210          2H2         G 210   5.311  10.984  -6.259
  536   1H5*    A 211          1H5*        A 211   7.490   3.443 -11.307
  537   2H5*    A 211          2H5*        A 211   7.374   1.761 -11.825
  538    H4*    A 211           H4*        A 211   6.512   1.643  -9.704
  539    H3*    A 211           H3*        A 211   4.421   1.661 -11.728
  540   1H2*    A 211          1H2*        A 211   3.358   3.368 -10.458
  541   2HO*    A 211          2HO*        A 211   2.034   1.546 -10.580
  542    H1*    A 211           H1*        A 211   4.256   1.934  -7.917
  543    H8     A 211           H8         A 211   4.627   5.482  -9.329
  544   1H6     A 211          1H6         A 211   1.730   7.319  -4.116
  545   2H6     A 211          2H6         A 211   2.494   7.881  -5.585
  546    H2     A 211           H2         A 211   1.934   2.880  -4.102
  547   1H5*    G 212          1H5*        G 212   3.475  -3.437  -9.533
  548   2H5*    G 212          2H5*        G 212   3.855  -1.925  -8.709
  549    H4*    G 212           H4*        G 212   5.762  -4.223  -9.205
  550    H3*    G 212           H3*        G 212   3.954  -3.694  -6.994
  551   1H2*    G 212          1H2*        G 212   5.457  -3.036  -5.412
  552   2HO*    G 212          2HO*        G 212   7.061  -4.535  -5.070
  553    H1*    G 212           H1*        G 212   7.706  -2.679  -7.300
  554    H8     G 212           H8         G 212   4.573  -0.780  -6.129
  555    H1     G 212           H1         G 212  10.192   2.350  -5.402
  556   1H2     G 212          1H2         G 212  11.730   1.180  -6.121
  557   2H2     G 212          2H2         G 212  11.528  -0.413  -6.818
  558   1H5*    G 213          1H5*        G 213   2.575  -4.897  -8.546
  559   2H5*    G 213          2H5*        G 213   1.298  -6.088  -8.791
  560    H4*    G 213           H4*        G 213   2.096  -5.796 -10.927
  561    H3*    G 213           H3*        G 213   3.616  -8.134  -9.758
  562   1H2*    G 213          1H2*        G 213   4.703  -8.391 -11.780
  563   2HO*    G 213          2HO*        G 213   3.503  -7.803 -13.688
  564    H1*    G 213           H1*        G 213   4.787  -5.762 -12.653
  565    H8     G 213           H8         G 213   5.297  -6.752  -8.982
  566    H1     G 213           H1         G 213  10.701  -5.461 -12.301
  567   1H2     G 213          1H2         G 213  10.223  -5.060 -14.266
  568   2H2     G 213          2H2         G 213   8.600  -5.071 -14.918
  569   1H5*    C 214          1H5*        C 214   1.357  -9.997 -12.964
  570   2H5*    C 214          2H5*        C 214   1.477 -11.750 -12.799
  571    H4*    C 214           H4*        C 214   2.794 -10.760 -14.682
  572    H3*    C 214           H3*        C 214   4.278 -12.342 -12.561
  573   1H2*    C 214          1H2*        C 214   6.107 -12.375 -14.039
  574   2HO*    C 214          2HO*        C 214   5.615 -11.794 -16.299
  575    H1*    C 214           H1*        C 214   5.952  -9.756 -14.853
  576   1H4     C 214          1H4         C 214   9.517  -9.072  -9.635
  577   2H4     C 214          2H4         C 214   8.209  -9.649  -8.625
  578    H5     C 214           H5         C 214   6.125 -10.381  -9.461
  579    H6     C 214           H6         C 214   4.768 -10.742 -11.491
  580   1H5*    U 215          1H5*        U 215   4.671 -14.333 -15.974
  581   2H5*    U 215          2H5*        U 215   5.080 -16.046 -15.894
  582    H4*    U 215           H4*        U 215   6.845 -14.228 -16.622
  583    H3*    U 215           H3*        U 215   7.297 -16.728 -15.018
  584   1H2*    U 215          1H2*        U 215   9.262 -15.842 -14.281
  585   2HO*    U 215          2HO*        U 215   9.655 -15.271 -17.074
  586    H1*    U 215           H1*        U 215   9.393 -13.382 -15.840
  587    H3     U 215           H3         U 215  10.932 -11.736 -11.947
  588    H5     U 215           H5         U 215   7.087 -13.066 -10.954
  589    H6     U 215           H6         U 215   6.925 -13.981 -13.223
  590   1H5*    A 216          1H5*        A 216  10.068 -17.451 -18.036
  591   2H5*    A 216          2H5*        A 216  10.329 -19.188 -18.194
  592    H4*    A 216           H4*        A 216  12.238 -18.061 -17.163
  593    H3*    A 216           H3*        A 216  10.757 -19.937 -15.287
  594   1H2*    A 216          1H2*        A 216  12.618 -19.781 -13.903
  595   2HO*    A 216          2HO*        A 216  14.085 -18.681 -16.102
  596    H1*    A 216           H1*        A 216  13.289 -17.104 -14.778
  597    H8     A 216           H8         A 216   9.871 -17.994 -13.370
  598   1H6     A 216          1H6         A 216  12.011 -15.766  -7.947
  599   2H6     A 216          2H6         A 216  10.594 -16.385  -8.765
  600    H2     A 216           H2         A 216  15.366 -15.793 -10.859
  601   1H5*    G 217          1H5*        G 217  14.134 -21.390 -16.509
  602   2H5*    G 217          2H5*        G 217  14.712 -23.056 -16.538
  603    H4*    G 217           H4*        G 217  15.894 -22.102 -14.787
  604    H3*    G 217           H3*        G 217  13.455 -23.405 -13.531
  605   1H2*    G 217          1H2*        G 217  14.562 -23.138 -11.473
  606   2HO*    G 217          2HO*        G 217  16.606 -23.803 -11.894
  607    H1*    G 217           H1*        G 217  15.658 -20.596 -12.242
  608    H8     G 217           H8         G 217  11.956 -21.432 -12.595
  609    H1     G 217           H1         G 217  13.537 -18.223  -7.201
  610   1H2     G 217          1H2         G 217  15.587 -18.039  -7.085
  611   2H2     G 217          2H2         G 217  16.711 -18.661  -8.273
  612   1H5*    U 218          1H5*        U 218  16.858 -25.511 -12.900
  613   2H5*    U 218          2H5*        U 218  16.980 -27.261 -12.717
  614    H4*    U 218           H4*        U 218  17.784 -26.416 -10.702
  615    H3*    U 218           H3*        U 218  14.915 -27.276 -10.395
  616   1H2*    U 218          1H2*        U 218  14.953 -26.681  -8.139
  617   2HO*    U 218          2HO*        U 218  17.442 -26.139  -7.539
  618    H1*    U 218           H1*        U 218  16.726 -24.435  -8.614
  619    H3     U 218           H3         U 218  13.329 -22.323  -6.524
  620    H5     U 218           H5         U 218  11.598 -23.639 -10.103
  621    H6     U 218           H6         U 218  13.692 -24.829 -10.563
  622   1H5*    C 219          1H5*        C 219  17.031 -28.926  -7.095
  623   2H5*    C 219          2H5*        C 219  16.660 -30.649  -7.046
  624    H4*    C 219           H4*        C 219  16.199 -29.935  -4.890
  625    H3*    C 219           H3*        C 219  13.709 -30.185  -6.511
  626   1H2*    C 219          1H2*        C 219  12.356 -29.299  -4.804
  627   2HO*    C 219          2HO*        C 219  13.044 -29.750  -2.783
  628    H1*    C 219           H1*        C 219  14.292 -27.282  -4.137
  629   1H4     C 219          1H4         C 219   9.759 -23.983  -7.156
  630   2H4     C 219          2H4         C 219  10.141 -24.798  -8.656
  631    H5     C 219           H5         C 219  11.736 -26.530  -8.842
  632    H6     C 219           H6         C 219  13.373 -27.920  -7.624
  633   1H5*    C 220          1H5*        C 220  12.991 -32.783  -3.180
  634   2H5*    C 220          2H5*        C 220  12.655 -34.443  -3.671
  635    H4*    C 220           H4*        C 220  10.800 -33.969  -2.416
  636    H3*    C 220           H3*        C 220  10.180 -33.416  -5.287
  637   1H2*    C 220          1H2*        C 220   8.027 -32.607  -4.758
  638   2HO*    C 220          2HO*        C 220   8.638 -33.351  -2.048
  639    H1*    C 220           H1*        C 220   8.940 -31.042  -2.588
  640   1H4     C 220          1H4         C 220   8.551 -26.734  -7.253
  641   2H4     C 220          2H4         C 220   9.816 -27.550  -8.147
  642    H5     C 220           H5         C 220  10.832 -29.563  -7.448
  643    H6     C 220           H6         C 220  10.887 -31.309  -5.702
   
  No H/Q in entry =         643
  Start of MODEL   18
    1    H    MET   1           HN       MET   1   3.363  -9.360   5.141
    2    HA   MET   1           HA       MET   1   3.441 -11.466   5.670
    3   1HB   MET   1          2HB       MET   1   1.269 -12.623   6.334
    4   2HB   MET   1          3HB       MET   1   1.484 -11.064   7.104
    5   1HG   MET   1          2HG       MET   1  -0.469 -10.337   6.206
    6   2HG   MET   1          3HG       MET   1   0.169 -10.580   4.592
    7   1HE   MET   1          2HE       MET   1  -1.595 -11.110   3.418
    8   2HE   MET   1          3HE       MET   1  -2.516 -12.632   3.405
    9   3HE   MET   1          1HE       MET   1  -3.013 -11.301   4.477
   10    H    GLN   2           HN       GLN   2   1.297 -10.541   3.007
   11    HA   GLN   2           HA       GLN   2   2.069 -13.027   1.698
   12   1HB   GLN   2          2HB       GLN   2  -0.494 -12.564   2.475
   13   2HB   GLN   2          3HB       GLN   2  -0.533 -11.766   0.915
   14   1HG   GLN   2          2HG       GLN   2  -0.592 -13.754  -0.176
   15   2HG   GLN   2          3HG       GLN   2   0.856 -14.305   0.644
   16   1HE2  GLN   2          2HE2      GLN   2  -1.117 -16.834   2.018
   17   2HE2  GLN   2          1HE2      GLN   2   0.129 -16.375   0.905
   18    H    LYS   3           HN       LYS   3   3.886 -11.707   0.866
   19    HA   LYS   3           HA       LYS   3   3.445 -10.782  -1.689
   20   1HB   LYS   3          2HB       LYS   3   2.488  -8.881   0.078
   21   2HB   LYS   3          3HB       LYS   3   4.107  -8.301  -0.263
   22   1HG   LYS   3          2HG       LYS   3   2.758  -7.340  -1.978
   23   2HG   LYS   3          3HG       LYS   3   3.573  -8.677  -2.764
   24   1HD   LYS   3          2HD       LYS   3   1.542 -10.118  -2.339
   25   2HD   LYS   3          3HD       LYS   3   0.730  -8.728  -1.647
   26   1HE   LYS   3          2HE       LYS   3   1.826  -7.963  -4.221
   27   2HE   LYS   3          3HE       LYS   3   0.931  -9.457  -4.420
   28   1HZ   LYS   3          1HZ       LYS   3  -0.259  -7.089  -4.399
   29   2HZ   LYS   3          2HZ       LYS   3  -1.025  -8.428  -3.878
   30    H    GLY   4           HN       GLY   4   5.221 -12.463  -1.356
   31   1HA   GLY   4          1HA       GLY   4   7.630 -11.847  -0.079
   32   2HA   GLY   4          2HA       GLY   4   7.403 -12.998  -1.380
   33    H    ASN   5           HN       ASN   5   6.174 -10.497  -2.943
   34    HA   ASN   5           HA       ASN   5   8.378 -10.059  -4.504
   35   1HB   ASN   5          2HB       ASN   5   5.850  -9.557  -4.948
   36   2HB   ASN   5          3HB       ASN   5   6.126  -8.027  -4.139
   37   1HD2  ASN   5          2HD2      ASN   5   7.581  -6.427  -6.835
   38   2HD2  ASN   5          1HD2      ASN   5   6.911  -6.378  -5.239
   39    H    PHE   6           HN       PHE   6   7.457  -8.753  -1.397
   40    HA   PHE   6           HA       PHE   6   8.538  -6.206  -1.501
   41   1HB   PHE   6          2HB       PHE   6   7.599  -8.229   0.410
   42   2HB   PHE   6          3HB       PHE   6   9.029  -7.454   1.064
   43    HD1  PHE   6           HD1      PHE   6   6.430  -5.888  -1.076
   44    HD2  PHE   6           HD2      PHE   6   8.119  -6.178   2.806
   45    HE1  PHE   6           HE1      PHE   6   5.032  -3.945  -0.322
   46    HE2  PHE   6           HE2      PHE   6   6.721  -4.234   3.560
   47    HZ   PHE   6           HZ       PHE   6   5.193  -3.141   1.987
   48    H    ARG   7           HN       ARG   7  10.113  -9.263  -1.776
   49    HA   ARG   7           HA       ARG   7  12.444  -8.777  -0.410
   50   1HB   ARG   7          2HB       ARG   7  13.438 -10.485  -1.997
   51   2HB   ARG   7          3HB       ARG   7  11.925 -11.000  -1.279
   52   1HG   ARG   7          2HG       ARG   7  10.881  -9.839  -3.466
   53   2HG   ARG   7          3HG       ARG   7  12.482 -10.130  -4.115
   54   1HD   ARG   7          2HD       ARG   7  12.191 -12.417  -4.182
   55   2HD   ARG   7          3HD       ARG   7  11.318 -12.457  -2.663
   56    HE   ARG   7           HE       ARG   7   9.346 -12.450  -3.897
   57   1HH1  ARG   7          2HH2      ARG   7  11.839 -10.825  -5.820
   58   2HH1  ARG   7          1HH2      ARG   7  10.796 -10.560  -7.177
   59    HH2  ARG   7           HH1      ARG   7   8.525 -11.320  -7.077
   60    H    ASN   8           HN       ASN   8  11.127  -7.095  -3.062
   61    HA   ASN   8           HA       ASN   8  13.254  -6.654  -4.707
   62   1HB   ASN   8          2HB       ASN   8  12.093  -4.511  -5.297
   63   2HB   ASN   8          3HB       ASN   8  10.962  -5.844  -5.190
   64   1HD2  ASN   8          2HD2      ASN   8  10.022  -2.618  -3.265
   65   2HD2  ASN   8          1HD2      ASN   8  10.845  -2.839  -4.772
   66    H    GLN   9           HN       GLN   9  12.450  -5.370  -1.476
   67    HA   GLN   9           HA       GLN   9  14.002  -3.117  -1.453
   68   1HB   GLN   9          2HB       GLN   9  13.355  -5.068   0.799
   69   2HB   GLN   9          3HB       GLN   9  14.070  -3.490   1.058
   70   1HG   GLN   9          2HG       GLN   9  12.093  -2.438  -0.110
   71   2HG   GLN   9          3HG       GLN   9  11.370  -4.027  -0.269
   72   1HE2  GLN   9          2HE2      GLN   9  10.144  -4.264   2.971
   73   2HE2  GLN   9          1HE2      GLN   9  10.367  -4.975   1.408
   74    H    ARG  10           HN       ARG  10  14.958  -6.436  -1.698
   75    HA   ARG  10           HA       ARG  10  17.325  -6.414  -0.319
   76   1HB   ARG  10          2HB       ARG  10  17.915  -8.368  -1.649
   77   2HB   ARG  10          3HB       ARG  10  16.184  -8.421  -1.379
   78   1HG   ARG  10          2HG       ARG  10  15.977  -7.167  -3.663
   79   2HG   ARG  10          3HG       ARG  10  17.654  -7.609  -3.915
   80   1HD   ARG  10          2HD       ARG  10  17.143  -9.807  -4.322
   81   2HD   ARG  10          3HD       ARG  10  16.000  -9.887  -2.997
   82    HE   ARG  10           HE       ARG  10  14.286  -9.512  -4.529
   83   1HH1  ARG  10          2HH2      ARG  10  17.290  -8.228  -5.901
   84   2HH1  ARG  10          1HH2      ARG  10  16.561  -7.799  -7.414
   85    HH2  ARG  10           HH1      ARG  10  14.228  -8.230  -7.757
   86    H    LYS  11           HN       LYS  11  16.380  -4.634  -3.121
   87    HA   LYS  11           HA       LYS  11  19.195  -4.185  -3.830
   88   1HB   LYS  11          2HB       LYS  11  18.661  -4.288  -5.999
   89   2HB   LYS  11          3HB       LYS  11  17.186  -5.073  -5.474
   90   1HG   LYS  11          2HG       LYS  11  16.322  -2.561  -5.168
   91   2HG   LYS  11          3HG       LYS  11  17.614  -2.193  -6.294
   92   1HD   LYS  11          2HD       LYS  11  16.655  -3.490  -8.034
   93   2HD   LYS  11          3HD       LYS  11  15.691  -4.448  -6.927
   94   1HE   LYS  11          2HE       LYS  11  14.193  -2.903  -8.056
   95   2HE   LYS  11          3HE       LYS  11  14.329  -2.382  -6.389
   96   1HZ   LYS  11          1HZ       LYS  11  16.113  -1.239  -8.448
   97   2HZ   LYS  11          2HZ       LYS  11  14.623  -0.624  -8.218
   98    H    THR  12           HN       THR  12  17.492  -3.017  -1.594
   99    HA   THR  12           HA       THR  12  17.015  -1.032  -0.699
  100    HB   THR  12           HB       THR  12  19.602  -1.028  -1.297
  101    HG1  THR  12           HG1      THR  12  18.095   1.460  -0.933
  102   1HG2  THR  12          2HG2      THR  12  18.541   0.279  -3.612
  103   2HG2  THR  12          3HG2      THR  12  19.244   1.559  -2.594
  104   3HG2  THR  12          1HG2      THR  12  20.249   0.186  -3.120
  105    H    VAL  13           HN       VAL  13  15.179  -1.711  -2.625
  106    HA   VAL  13           HA       VAL  13  14.713  -0.173  -4.750
  107    HB   VAL  13           HB       VAL  13  12.304  -0.346  -4.181
  108   1HG1  VAL  13          2HG1      VAL  13  14.236  -2.520  -4.393
  109   2HG1  VAL  13          3HG1      VAL  13  12.753  -3.028  -3.550
  110   3HG1  VAL  13          1HG1      VAL  13  12.652  -2.319  -5.179
  111   1HG2  VAL  13          1HG2      VAL  13  13.425  -1.214  -1.514
  112   2HG2  VAL  13          2HG2      VAL  13  12.152  -0.021  -1.864
  113   3HG2  VAL  13          3HG2      VAL  13  11.825  -1.758  -2.069
  114    H    LYS  14           HN       LYS  14  13.488   1.840  -5.148
  115    HA   LYS  14           HA       LYS  14  14.129   3.803  -3.068
  116   1HB   LYS  14          2HB       LYS  14  15.273   4.505  -4.936
  117   2HB   LYS  14          3HB       LYS  14  14.090   3.863  -6.056
  118   1HG   LYS  14          2HG       LYS  14  12.465   5.655  -5.282
  119   2HG   LYS  14          3HG       LYS  14  13.743   6.332  -4.292
  120   1HD   LYS  14          2HD       LYS  14  13.929   7.613  -6.254
  121   2HD   LYS  14          3HD       LYS  14  15.143   6.377  -6.520
  122   1HE   LYS  14          2HE       LYS  14  12.458   5.543  -7.443
  123   2HE   LYS  14          3HE       LYS  14  13.024   6.994  -8.247
  124   1HZ   LYS  14          1HZ       LYS  14  15.037   5.831  -8.888
  125   2HZ   LYS  14          2HZ       LYS  14  14.629   4.504  -8.037
  126    H    CYS  15           HN       CYS  15  12.543   5.093  -2.166
  127    HA   CYS  15           HA       CYS  15   9.894   4.122  -2.408
  128   1HB   CYS  15          2HB       CYS  15  10.813   4.963  -0.278
  129   2HB   CYS  15          3HB       CYS  15  10.954   6.572  -0.959
  130    H    PHE  16           HN       PHE  16   8.607   4.610  -4.152
  131    HA   PHE  16           HA       PHE  16   9.221   6.855  -5.804
  132   1HB   PHE  16          2HB       PHE  16   7.120   4.641  -5.619
  133   2HB   PHE  16          3HB       PHE  16   6.891   5.937  -6.775
  134    HD1  PHE  16           HD1      PHE  16   9.500   6.420  -7.886
  135    HD2  PHE  16           HD2      PHE  16   7.736   2.731  -6.750
  136    HE1  PHE  16           HE1      PHE  16  10.965   5.214  -9.529
  137    HE2  PHE  16           HE2      PHE  16   9.200   1.525  -8.393
  138    HZ   PHE  16           HZ       PHE  16  10.798   2.780  -9.763
  139    H    ASN  17           HN       ASN  17   7.908   6.819  -2.808
  140    HA   ASN  17           HA       ASN  17   5.680   8.543  -3.451
  141   1HB   ASN  17          2HB       ASN  17   5.763   6.630  -1.607
  142   2HB   ASN  17          3HB       ASN  17   6.596   7.830  -0.638
  143   1HD2  ASN  17          2HD2      ASN  17   3.571   9.032   0.532
  144   2HD2  ASN  17          1HD2      ASN  17   5.154   8.398   0.833
  145    H    CYS  18           HN       CYS  18   8.609   8.446  -1.271
  146    HA   CYS  18           HA       CYS  18   8.535  11.346  -1.130
  147   1HB   CYS  18          2HB       CYS  18  10.219  11.094   0.651
  148   2HB   CYS  18          3HB       CYS  18   8.758  10.190   0.992
  149    H    GLY  19           HN       GLY  19  10.615   8.549  -2.101
  150   1HA   GLY  19          1HA       GLY  19  11.853   8.715  -4.144
  151   2HA   GLY  19          2HA       GLY  19  12.157  10.407  -3.803
  152    H    LYS  20           HN       LYS  20  12.279   7.890  -1.267
  153    HA   LYS  20           HA       LYS  20  15.133   8.469  -0.996
  154   1HB   LYS  20          2HB       LYS  20  12.944   7.709   0.896
  155   2HB   LYS  20          3HB       LYS  20  14.572   7.183   1.272
  156   1HG   LYS  20          2HG       LYS  20  15.412   9.456   1.263
  157   2HG   LYS  20          3HG       LYS  20  13.943  10.073   0.532
  158   1HD   LYS  20          2HD       LYS  20  12.861   8.925   2.754
  159   2HD   LYS  20          3HD       LYS  20  14.461   9.271   3.379
  160   1HE   LYS  20          2HE       LYS  20  14.219  11.604   3.113
  161   2HE   LYS  20          3HE       LYS  20  13.003  11.443   1.862
  162   1HZ   LYS  20          1HZ       LYS  20  12.381  11.996   4.379
  163   2HZ   LYS  20          2HZ       LYS  20  11.358  11.178   3.411
  164    H    GLU  21           HN       GLU  21  16.027   6.231   0.355
  165    HA   GLU  21           HA       GLU  21  15.346   4.035  -1.422
  166   1HB   GLU  21          2HB       GLU  21  17.913   5.463  -1.268
  167   2HB   GLU  21          3HB       GLU  21  18.104   3.748  -0.968
  168   1HG   GLU  21          2HG       GLU  21  17.289   3.138  -3.095
  169   2HG   GLU  21          3HG       GLU  21  16.371   4.619  -3.287
  170    HE2  GLU  21           HE2      GLU  21  18.747   5.808  -5.286
  171    H    GLY  22           HN       GLY  22  15.128   2.075  -0.365
  172   1HA   GLY  22          1HA       GLY  22  16.037   0.597   1.348
  173   2HA   GLY  22          2HA       GLY  22  16.092   1.973   2.432
  174    H    HIS  23           HN       HIS  23  13.364   1.966   0.260
  175    HA   HIS  23           HA       HIS  23  11.644   0.281   1.636
  176   1HB   HIS  23          2HB       HIS  23  10.461   1.615   3.123
  177   2HB   HIS  23          3HB       HIS  23  12.132   2.045   3.431
  178    HD1  HIS  23           HD1      HIS  23  12.928   4.438   2.697
  179    HD2  HIS  23           HD2      HIS  23   8.858   3.667   2.033
  180    HE1  HIS  23           HE1      HIS  23  11.843   6.695   2.210
  181    H    ILE  24           HN       ILE  24   9.357   0.562   0.868
  182    HA   ILE  24           HA       ILE  24   9.382   1.997  -1.695
  183    HB   ILE  24           HB       ILE  24   7.953   0.359  -2.576
  184   1HG1  ILE  24          2HG1      ILE  24   7.700  -0.942   0.147
  185   2HG1  ILE  24          3HG1      ILE  24   6.523   0.182  -0.500
  186   1HG2  ILE  24          3HG2      ILE  24  10.375  -0.539  -1.147
  187   2HG2  ILE  24          1HG2      ILE  24   9.269  -1.835  -1.663
  188   3HG2  ILE  24          2HG2      ILE  24   9.921  -0.691  -2.862
  189   1HD1  ILE  24          1HD1      ILE  24   7.385  -2.204  -2.156
  190   2HD1  ILE  24          2HD1      ILE  24   6.161  -2.390  -0.877
  191   3HD1  ILE  24          3HD1      ILE  24   5.867  -1.278  -2.235
  192    H    ALA  25           HN       ALA  25   7.190   2.838  -2.392
  193    HA   ALA  25           HA       ALA  25   6.238   4.665  -0.601
  194   1HB   ALA  25          2HB       ALA  25   5.173   3.379  -3.106
  195   2HB   ALA  25          3HB       ALA  25   4.123   4.477  -2.180
  196   3HB   ALA  25          1HB       ALA  25   5.676   5.061  -2.821
  197    H    LYS  26           HN       LYS  26   5.185   1.274  -1.167
  198    HA   LYS  26           HA       LYS  26   2.879   1.378   0.393
  199   1HB   LYS  26          2HB       LYS  26   4.692  -1.005  -0.088
  200   2HB   LYS  26          3HB       LYS  26   3.003  -1.046   0.376
  201   1HG   LYS  26          2HG       LYS  26   3.625   0.554  -2.076
  202   2HG   LYS  26          3HG       LYS  26   3.874  -1.174  -2.221
  203   1HD   LYS  26          2HD       LYS  26   1.333  -0.461  -0.862
  204   2HD   LYS  26          3HD       LYS  26   1.431   0.133  -2.509
  205   1HE   LYS  26          2HE       LYS  26   2.219  -2.278  -3.139
  206   2HE   LYS  26          3HE       LYS  26   1.653  -2.747  -1.548
  207   1HZ   LYS  26          1HZ       LYS  26  -0.028  -2.916  -3.412
  208   2HZ   LYS  26          2HZ       LYS  26  -0.550  -2.093  -2.108
  209    H    ASN  27           HN       ASN  27   6.329   0.745   1.216
  210    HA   ASN  27           HA       ASN  27   5.588   0.364   3.961
  211   1HB   ASN  27          2HB       ASN  27   8.298   0.432   2.534
  212   2HB   ASN  27          3HB       ASN  27   8.122   0.120   4.249
  213   1HD2  ASN  27          2HD2      ASN  27   8.159  -2.975   1.924
  214   2HD2  ASN  27          1HD2      ASN  27   9.009  -1.469   1.821
  215    H    CYS  28           HN       CYS  28   5.599   3.008   2.098
  216    HA   CYS  28           HA       CYS  28   7.399   4.686   3.580
  217   1HB   CYS  28          2HB       CYS  28   6.991   4.983   1.132
  218   2HB   CYS  28          3HB       CYS  28   5.340   5.453   1.484
  219    H    ARG  29           HN       ARG  29   6.803   6.072   5.271
  220    HA   ARG  29           HA       ARG  29   4.318   5.517   6.482
  221   1HB   ARG  29          2HB       ARG  29   6.819   6.946   7.153
  222   2HB   ARG  29          3HB       ARG  29   5.406   7.763   7.788
  223   1HG   ARG  29          2HG       ARG  29   4.646   5.638   8.858
  224   2HG   ARG  29          3HG       ARG  29   6.044   4.805   8.208
  225   1HD   ARG  29          2HD       ARG  29   6.463   7.295   9.884
  226   2HD   ARG  29          3HD       ARG  29   6.096   5.780  10.685
  227    HE   ARG  29           HE       ARG  29   8.104   4.989   9.033
  228   1HH1  ARG  29          2HH2      ARG  29   7.857   7.827  11.140
  229   2HH1  ARG  29          1HH2      ARG  29   9.565   7.931  11.407
  230    HH2  ARG  29           HH1      ARG  29  11.016   6.332  10.368
  231    H    ALA  30           HN       ALA  30   5.611   7.962   4.292
  232    HA   ALA  30           HA       ALA  30   3.770  10.018   4.887
  233   1HB   ALA  30          3HB       ALA  30   5.593   9.344   2.563
  234   2HB   ALA  30          1HB       ALA  30   4.505  10.751   2.512
  235   3HB   ALA  30          2HB       ALA  30   5.758  10.640   3.771
  236    HA   PRO  31           HA       PRO  31   0.273   8.667   2.733
  237   1HB   PRO  31          2HB       PRO  31  -0.857  11.002   1.874
  238   2HB   PRO  31          3HB       PRO  31  -1.003  10.415   3.519
  239   1HG   PRO  31          2HG       PRO  31   0.681  12.609   2.476
  240   2HG   PRO  31          3HG       PRO  31   0.199  12.286   4.130
  241   1HD   PRO  31          2HD       PRO  31   2.763  11.760   2.956
  242   2HD   PRO  31          3HD       PRO  31   2.242  11.332   4.575
  243    H    ARG  32           HN       ARG  32  -0.672   8.038   0.769
  244    HA   ARG  32           HA       ARG  32   1.168   7.865  -1.251
  245   1HB   ARG  32          2HB       ARG  32  -1.881   7.735  -1.492
  246   2HB   ARG  32          3HB       ARG  32  -0.743   7.062  -2.643
  247   1HG   ARG  32          2HG       ARG  32  -0.973   6.223   0.287
  248   2HG   ARG  32          3HG       ARG  32  -1.640   5.333  -1.068
  249   1HD   ARG  32          2HD       ARG  32   1.199   5.934  -1.516
  250   2HD   ARG  32          3HD       ARG  32   0.975   5.088   0.001
  251    HE   ARG  32           HE       ARG  32   0.823   3.887  -2.553
  252   1HH1  ARG  32          2HH2      ARG  32  -1.136   3.985   0.397
  253   2HH1  ARG  32          1HH2      ARG  32  -1.828   2.418   0.138
  254    HH2  ARG  32           HH1      ARG  32  -1.197   1.163  -1.803
  255    H    LYS  33           HN       LYS  33   2.029   9.622  -2.336
  256    HA   LYS  33           HA       LYS  33   0.108  11.513  -3.471
  257   1HB   LYS  33          2HB       LYS  33   1.618  12.181  -1.292
  258   2HB   LYS  33          3HB       LYS  33   2.678  12.681  -2.594
  259   1HG   LYS  33          2HG       LYS  33   1.419  14.593  -2.585
  260   2HG   LYS  33          3HG       LYS  33   0.288  13.649  -3.534
  261   1HD   LYS  33          2HD       LYS  33   0.028  13.260  -0.594
  262   2HD   LYS  33          3HD       LYS  33  -0.314  14.893  -1.133
  263   1HE   LYS  33          2HE       LYS  33  -1.534  12.738  -2.804
  264   2HE   LYS  33          3HE       LYS  33  -2.148  12.836  -1.166
  265   1HZ   LYS  33          1HZ       LYS  33  -2.497  14.708  -3.333
  266   2HZ   LYS  33          2HZ       LYS  33  -3.428  14.482  -2.016
  267    H    LYS  34           HN       LYS  34   1.717  13.064  -5.004
  268    HA   LYS  34           HA       LYS  34   3.522  11.272  -6.422
  269   1HB   LYS  34          2HB       LYS  34   0.897  12.234  -7.429
  270   2HB   LYS  34          3HB       LYS  34   2.242  12.372  -8.543
  271   1HG   LYS  34          2HG       LYS  34   2.065  10.159  -8.992
  272   2HG   LYS  34          3HG       LYS  34   2.518   9.806  -7.336
  273   1HD   LYS  34          2HD       LYS  34   0.275   9.607  -6.615
  274   2HD   LYS  34          3HD       LYS  34  -0.345  10.581  -7.934
  275   1HE   LYS  34          2HE       LYS  34   0.337   8.723  -9.539
  276   2HE   LYS  34          3HE       LYS  34   0.770   7.746  -8.151
  277   1HZ   LYS  34          1HZ       LYS  34  -1.539   7.367  -8.955
  278   2HZ   LYS  34          2HZ       LYS  34  -1.509   7.828  -7.393
  279    H    GLY  35           HN       GLY  35   4.425  13.188  -4.742
  280   1HA   GLY  35          1HA       GLY  35   4.757  15.681  -6.218
  281   2HA   GLY  35          2HA       GLY  35   5.281  15.325  -4.584
  282    H    CYS  36           HN       CYS  36   6.394  15.939  -7.663
  283    HA   CYS  36           HA       CYS  36   8.330  14.041  -8.127
  284   1HB   CYS  36          2HB       CYS  36   7.833  15.597  -9.849
  285   2HB   CYS  36          3HB       CYS  36   8.169  16.979  -8.825
  286    H    TRP  37           HN       TRP  37  10.105  13.454  -6.925
  287    HA   TRP  37           HA       TRP  37  10.859  15.113  -4.689
  288   1HB   TRP  37          2HB       TRP  37  12.560  12.825  -5.155
  289   2HB   TRP  37          3HB       TRP  37  11.548  13.218  -3.779
  290    HD1  TRP  37           HD1      TRP  37   8.828  12.431  -4.090
  291    HE1  TRP  37           HE1      TRP  37   7.761  10.296  -5.216
  292    HE3  TRP  37           HE3      TRP  37  12.882  11.255  -6.924
  293    HZ2  TRP  37           HZ2      TRP  37   8.712   8.397  -7.123
  294    HZ3  TRP  37           HZ3      TRP  37  12.730   9.244  -8.391
  295    HH2  TRP  37           HH2      TRP  37  10.735   7.836  -8.518
  296    H    LYS  38           HN       LYS  38  11.204  16.384  -7.240
  297    HA   LYS  38           HA       LYS  38  14.124  16.585  -7.246
  298   1HB   LYS  38          2HB       LYS  38  12.722  15.335  -9.279
  299   2HB   LYS  38          3HB       LYS  38  12.897  16.970  -9.884
  300   1HG   LYS  38          2HG       LYS  38  15.396  16.791  -9.197
  301   2HG   LYS  38          3HG       LYS  38  15.110  15.075  -8.993
  302   1HD   LYS  38          2HD       LYS  38  15.412  14.787 -11.220
  303   2HD   LYS  38          3HD       LYS  38  13.968  15.734 -11.517
  304   1HE   LYS  38          2HE       LYS  38  15.164  17.698 -11.944
  305   2HE   LYS  38          3HE       LYS  38  16.497  17.249 -10.900
  306   1HZ   LYS  38          1HZ       LYS  38  15.989  16.383 -13.664
  307   2HZ   LYS  38          2HZ       LYS  38  17.382  16.904 -13.002
  308    H    CYS  39           HN       CYS  39  10.959  18.017  -8.276
  309    HA   CYS  39           HA       CYS  39  12.194  20.638  -7.850
  310   1HB   CYS  39          2HB       CYS  39  10.281  21.501  -9.247
  311   2HB   CYS  39          3HB       CYS  39  11.439  20.500 -10.101
  312    H    GLY  40           HN       GLY  40   9.587  18.351  -7.026
  313   1HA   GLY  40          1HA       GLY  40   8.566  18.323  -4.929
  314   2HA   GLY  40          2HA       GLY  40   8.893  20.033  -4.726
  315    H    LYS  41           HN       LYS  41   7.703  18.971  -7.869
  316    HA   LYS  41           HA       LYS  41   5.216  20.381  -7.314
  317   1HB   LYS  41          2HB       LYS  41   6.987  20.405  -9.462
  318   2HB   LYS  41          3HB       LYS  41   5.644  19.448 -10.051
  319   1HG   LYS  41          2HG       LYS  41   4.849  21.888  -8.536
  320   2HG   LYS  41          3HG       LYS  41   5.709  22.209 -10.028
  321   1HD   LYS  41          2HD       LYS  41   3.983  20.298 -10.928
  322   2HD   LYS  41          3HD       LYS  41   3.018  20.946  -9.616
  323   1HE   LYS  41          2HE       LYS  41   2.365  22.471 -11.210
  324   2HE   LYS  41          3HE       LYS  41   3.838  23.292 -10.731
  325   1HZ   LYS  41          1HZ       LYS  41   4.405  21.296 -12.680
  326   2HZ   LYS  41          2HZ       LYS  41   3.266  22.313 -13.248
  327    H    GLU  42           HN       GLU  42   3.306  19.354  -7.004
  328    HA   GLU  42           HA       GLU  42   3.377  16.488  -7.129
  329   1HB   GLU  42          2HB       GLU  42   1.206  16.612  -5.962
  330   2HB   GLU  42          3HB       GLU  42   2.403  17.606  -5.154
  331   1HG   GLU  42          2HG       GLU  42   1.243  19.337  -7.063
  332   2HG   GLU  42          3HG       GLU  42  -0.111  18.408  -6.452
  333    HE2  GLU  42           HE2      GLU  42   2.279  20.859  -4.890
  334    H    GLY  43           HN       GLY  43   2.882  15.446  -9.007
  335   1HA   GLY  43          1HA       GLY  43   0.610  15.329 -10.342
  336   2HA   GLY  43          2HA       GLY  43   1.250  16.822 -11.001
  337    H    HIS  44           HN       HIS  44   3.939  16.456 -11.300
  338    HA   HIS  44           HA       HIS  44   3.992  14.281 -13.232
  339   1HB   HIS  44          2HB       HIS  44   5.739  15.447 -14.322
  340   2HB   HIS  44          3HB       HIS  44   4.515  16.635 -13.920
  341    HD1  HIS  44           HD1      HIS  44   5.144  18.509 -12.258
  342    HD2  HIS  44           HD2      HIS  44   8.174  15.664 -12.825
  343    HE1  HIS  44           HE1      HIS  44   7.245  19.478 -11.182
  344    H    GLN  45           HN       GLN  45   6.417  13.359 -13.470
  345    HA   GLN  45           HA       GLN  45   7.275  12.743 -10.749
  346   1HB   GLN  45          2HB       GLN  45   7.662  10.457 -11.364
  347   2HB   GLN  45          3HB       GLN  45   6.061  10.856 -11.954
  348   1HG   GLN  45          2HG       GLN  45   6.911  11.189 -14.231
  349   2HG   GLN  45          3HG       GLN  45   8.569  11.024 -13.686
  350   1HE2  GLN  45          2HE2      GLN  45   6.107   7.764 -14.236
  351   2HE2  GLN  45          1HE2      GLN  45   5.511   9.390 -14.191
  352    H    MET  46           HN       MET  46   9.629  12.030 -10.618
  353    HA   MET  46           HA       MET  46  11.249  13.934 -11.688
  354   1HB   MET  46          2HB       MET  46  11.663  12.263  -9.750
  355   2HB   MET  46          3HB       MET  46  12.098  11.078 -10.966
  356   1HG   MET  46          2HG       MET  46  13.513  13.606 -11.433
  357   2HG   MET  46          3HG       MET  46  13.801  13.028  -9.804
  358   1HE   MET  46          2HE       MET  46  15.064  11.579  -9.099
  359   2HE   MET  46          3HE       MET  46  14.934   9.904  -9.689
  360   3HE   MET  46          1HE       MET  46  16.411  10.847 -10.004
  361    H    LYS  47           HN       LYS  47  10.356  10.716 -12.992
  362    HA   LYS  47           HA       LYS  47  12.296  10.499 -14.949
  363   1HB   LYS  47          2HB       LYS  47  10.635   8.759 -14.173
  364   2HB   LYS  47          3HB       LYS  47   9.424   9.556 -15.158
  365   1HG   LYS  47          2HG       LYS  47  11.957   9.055 -16.614
  366   2HG   LYS  47          3HG       LYS  47  11.194   7.586 -16.041
  367   1HD   LYS  47          2HD       LYS  47   9.654   9.735 -17.561
  368   2HD   LYS  47          3HD       LYS  47  10.476   8.420 -18.375
  369   1HE   LYS  47          2HE       LYS  47   8.938   7.260 -16.236
  370   2HE   LYS  47          3HE       LYS  47   7.892   8.393 -17.068
  371   1HZ   LYS  47          1HZ       LYS  47   8.912   7.217 -19.175
  372   2HZ   LYS  47          2HZ       LYS  47   9.177   5.986 -18.141
  373    H    ASP  48           HN       ASP  48   9.276  12.413 -14.824
  374    HA   ASP  48           HA       ASP  48  10.028  13.461 -17.440
  375   1HB   ASP  48          2HB       ASP  48   7.614  12.299 -16.681
  376   2HB   ASP  48          3HB       ASP  48   7.276  14.004 -16.454
  377    HD1  ASP  48           HD2      ASP  48   9.125  13.536 -19.639
  378    H    CYS  49           HN       CYS  49  11.168  14.343 -14.903
  379    HA   CYS  49           HA       CYS  49   9.845  16.393 -13.658
  380   1HB   CYS  49          2HB       CYS  49  11.989  15.346 -12.910
  381   2HB   CYS  49          3HB       CYS  49  12.835  16.230 -14.164
  382    H    THR  50           HN       THR  50   8.916  18.166 -14.624
  383    HA   THR  50           HA       THR  50   9.904  19.101 -17.164
  384    HB   THR  50           HB       THR  50   7.454  18.902 -16.522
  385    HG1  THR  50           HG1      THR  50   7.854  20.403 -18.164
  386   1HG2  THR  50          1HG2      THR  50   8.293  21.166 -14.648
  387   2HG2  THR  50          2HG2      THR  50   6.620  20.988 -15.230
  388   3HG2  THR  50          3HG2      THR  50   7.359  19.706 -14.240
  389    H    GLU  51           HN       GLU  51  11.163  19.409 -14.160
  390    HA   GLU  51           HA       GLU  51  11.681  22.245 -14.434
  391   1HB   GLU  51          2HB       GLU  51  11.003  21.006 -12.215
  392   2HB   GLU  51          3HB       GLU  51  12.681  20.501 -12.166
  393   1HG   GLU  51          2HG       GLU  51  12.879  22.494 -11.000
  394   2HG   GLU  51          3HG       GLU  51  13.131  23.109 -12.621
  395    HE2  GLU  51           HE2      GLU  51  11.832  24.052 -10.129
  396    H    ARG  52           HN       ARG  52  13.314  19.034 -14.324
  397    HA   ARG  52           HA       ARG  52  15.227  18.361 -15.072
  398   1HB   ARG  52          2HB       ARG  52  14.824  20.842 -16.664
  399   2HB   ARG  52          3HB       ARG  52  16.505  20.363 -16.533
  400   1HG   ARG  52          2HG       ARG  52  14.492  18.215 -17.181
  401   2HG   ARG  52          3HG       ARG  52  14.879  19.368 -18.443
  402   1HD   ARG  52          2HD       ARG  52  17.145  18.065 -16.913
  403   2HD   ARG  52          3HD       ARG  52  16.323  17.144 -18.157
  404    HE   ARG  52           HE       ARG  52  16.831  19.468 -19.489
  405   1HH1  ARG  52          2HH2      ARG  52  18.930  17.447 -17.474
  406   2HH1  ARG  52          1HH2      ARG  52  20.375  17.885 -18.323
  407    HH2  ARG  52           HH1      ARG  52  20.237  19.414 -20.163
  408    H    GLN  53           HN       GLN  53  17.764  18.975 -15.078
  409    HA   GLN  53           HA       GLN  53  18.559  19.434 -12.600
  410   1HB   GLN  53          2HB       GLN  53  19.961  20.272 -15.173
  411   2HB   GLN  53          3HB       GLN  53  20.759  20.249 -13.613
  412   1HG   GLN  53          2HG       GLN  53  19.291  17.777 -14.574
  413   2HG   GLN  53          3HG       GLN  53  20.890  18.127 -15.197
  414   1HE2  GLN  53          2HE2      GLN  53  22.252  16.360 -12.541
  415   2HE2  GLN  53          1HE2      GLN  53  22.026  16.552 -14.247
  416    H    ALA  54           HN       ALA  54  18.556  22.058 -15.130
  417    HA   ALA  54           HA       ALA  54  18.476  24.265 -14.951
  418   1HB   ALA  54          3HB       ALA  54  16.269  23.188 -13.600
  419   2HB   ALA  54          1HB       ALA  54  16.893  24.442 -12.502
  420   3HB   ALA  54          2HB       ALA  54  16.448  24.863 -14.173
  421    H    ASN  55           HN       ASN  55  18.706  26.216 -13.196
  422    HA   ASN  55           HA       ASN  55  21.232  26.219 -12.373
  423   1HB   ASN  55          2HB       ASN  55  19.964  28.270 -12.276
  424   2HB   ASN  55          3HB       ASN  55  18.773  27.581 -11.191
  425   1HD2  ASN  55          2HD2      ASN  55  20.371  29.246  -8.588
  426   2HD2  ASN  55          1HD2      ASN  55  18.974  29.060  -9.593
  427   1H5*    G 201          1H5*        G 201  -0.831 -20.716  -6.326
  428   2H5*    G 201          2H5*        G 201   0.359 -19.428  -6.130
  429    H4*    G 201           H4*        G 201   0.238 -21.399  -4.422
  430    H3*    G 201           H3*        G 201   2.841 -20.313  -5.545
  431   1H2*    G 201          1H2*        G 201   3.913 -21.497  -3.806
  432   2HO*    G 201          2HO*        G 201   2.488 -22.291  -2.071
  433    H1*    G 201           H1*        G 201   2.360 -23.802  -4.077
  434    H8     G 201           H8         G 201   3.645 -21.658  -6.992
  435    H1     G 201           H1         G 201   6.850 -27.185  -5.958
  436   1H2     G 201          1H2         G 201   6.065 -28.137  -4.306
  437   2H2     G 201          2H2         G 201   4.736 -27.529  -3.345
  438   1H5*    G 202          1H5*        G 202   2.008 -18.840  -1.819
  439   2H5*    G 202          2H5*        G 202   2.575 -17.346  -1.074
  440    H4*    G 202           H4*        G 202   3.670 -19.092   0.057
  441    H3*    G 202           H3*        G 202   5.473 -17.703  -1.908
  442   1H2*    G 202          1H2*        G 202   7.272 -19.067  -1.267
  443   2HO*    G 202          2HO*        G 202   6.601 -18.755   0.980
  444    H1*    G 202           H1*        G 202   5.747 -21.437  -1.107
  445    H8     G 202           H8         G 202   5.377 -18.925  -3.968
  446    H1     G 202           H1         G 202   9.129 -24.041  -5.245
  447   1H2     G 202          1H2         G 202   9.331 -25.189  -3.544
  448   2H2     G 202          2H2         G 202   8.592 -24.820  -2.001
  449   1H5*    A 203          1H5*        A 203   7.915 -17.465   1.759
  450   2H5*    A 203          2H5*        A 203   8.535 -15.816   1.714
  451    H4*    A 203           H4*        A 203  10.355 -17.408   1.807
  452    H3*    A 203           H3*        A 203  10.074 -15.732  -0.653
  453   1H2*    A 203          1H2*        A 203  11.908 -16.773  -1.691
  454   2HO*    A 203          2HO*        A 203  12.593 -18.435   0.420
  455    H1*    A 203           H1*        A 203  11.181 -19.381  -0.813
  456    H8     A 203           H8         A 203   8.657 -16.960  -2.343
  457   1H6     A 203          1H6         A 203   9.547 -20.120  -7.651
  458   2H6     A 203          2H6         A 203   8.612 -18.847  -6.900
  459    H2     A 203           H2         A 203  12.365 -21.703  -4.601
  460   1H5*    C 204          1H5*        C 204  13.966 -15.803   0.510
  461   2H5*    C 204          2H5*        C 204  14.903 -14.323   0.305
  462    H4*    C 204           H4*        C 204  15.935 -16.059  -0.969
  463    H3*    C 204           H3*        C 204  14.518 -13.997  -2.659
  464   1H2*    C 204          1H2*        C 204  15.307 -15.048  -4.581
  465   2HO*    C 204          2HO*        C 204  17.456 -15.092  -3.862
  466    H1*    C 204           H1*        C 204  15.180 -17.694  -3.563
  467   1H4     C 204          1H4         C 204   9.967 -17.375  -7.200
  468   2H4     C 204          2H4         C 204   9.262 -16.190  -6.125
  469    H5     C 204           H5         C 204  10.374 -15.291  -4.245
  470    H6     C 204           H6         C 204  12.459 -15.309  -2.922
  471   1H5*    U 205          1H5*        U 205  18.683 -13.864  -2.724
  472   2H5*    U 205          2H5*        U 205  19.702 -12.460  -3.036
  473    H4*    U 205           H4*        U 205  20.192 -14.009  -4.735
  474    H3*    U 205           H3*        U 205  18.502 -11.723  -5.655
  475   1H2*    U 205          1H2*        U 205  18.232 -12.622  -7.786
  476   2HO*    U 205          2HO*        U 205  20.061 -13.519  -8.550
  477    H1*    U 205           H1*        U 205  18.235 -15.354  -6.771
  478    H3     U 205           H3         U 205  14.433 -15.407  -9.211
  479    H5     U 205           H5         U 205  13.584 -12.702  -6.129
  480    H6     U 205           H6         U 205  15.928 -12.903  -5.439
  481   1H5*    A 206          1H5*        A 206  21.103 -11.820  -8.130
  482   2H5*    A 206          2H5*        A 206  21.932 -10.488  -8.933
  483    H4*    A 206           H4*        A 206  20.332 -11.317 -10.461
  484    H3*    A 206           H3*        A 206  19.059  -8.853  -9.210
  485   1H2*    A 206          1H2*        A 206  17.750  -8.873 -11.123
  486   2HO*    A 206          2HO*        A 206  18.875  -9.148 -12.985
  487    H1*    A 206           H1*        A 206  17.931 -11.672 -11.624
  488    H8     A 206           H8         A 206  17.059 -10.282  -8.181
  489   1H6     A 206          1H6         A 206  11.120 -11.392  -9.744
  490   2H6     A 206          2H6         A 206  12.169 -10.865  -8.449
  491    H2     A 206           H2         A 206  13.675 -12.275 -13.272
  492   1H5*    G 207          1H5*        G 207  20.472  -7.645 -12.632
  493   2H5*    G 207          2H5*        G 207  20.520  -5.932 -13.045
  494    H4*    G 207           H4*        G 207  18.628  -6.947 -14.112
  495    H3*    G 207           H3*        G 207  17.577  -5.345 -11.747
  496   1H2*    G 207          1H2*        G 207  15.649  -5.177 -13.099
  497   2HO*    G 207          2HO*        G 207  16.712  -4.565 -14.989
  498    H1*    G 207           H1*        G 207  15.806  -7.794 -14.073
  499    H8     G 207           H8         G 207  16.648  -6.946 -10.439
  500    H1     G 207           H1         G 207  10.674  -9.221 -11.438
  501   1H2     G 207          1H2         G 207  10.362  -9.473 -13.461
  502   2H2     G 207          2H2         G 207  11.544  -9.120 -14.702
  503   1H5*    C 208          1H5*        C 208  17.947  -2.393 -14.848
  504   2H5*    C 208          2H5*        C 208  17.560  -0.734 -14.396
  505    H4*    C 208           H4*        C 208  15.806  -2.259 -15.612
  506    H3*    C 208           H3*        C 208  15.158  -0.383 -13.319
  507   1H2*    C 208          1H2*        C 208  12.989  -1.048 -13.538
  508   2HO*    C 208          2HO*        C 208  13.173   0.113 -15.590
  509    H1*    C 208           H1*        C 208  13.210  -3.362 -15.144
  510   1H4     C 208          1H4         C 208  12.018  -5.828  -9.400
  511   2H4     C 208          2H4         C 208  13.554  -5.241  -8.802
  512    H5     C 208           H5         C 208  15.050  -3.933 -10.079
  513    H6     C 208           H6         C 208  15.445  -2.857 -12.265
  514   1H5*    G 209          1H5*        G 209  13.612   3.407 -12.902
  515   2H5*    G 209          2H5*        G 209  14.244   1.785 -12.613
  516    H4*    G 209           H4*        G 209  12.145   1.452 -14.453
  517    H3*    G 209           H3*        G 209  11.525   3.660 -12.548
  518   1H2*    G 209          1H2*        G 209   9.962   2.372 -11.503
  519   2HO*    G 209          2HO*        G 209   8.930   1.724 -14.079
  520    H1*    G 209           H1*        G 209   9.834  -0.016 -13.068
  521    H8     G 209           H8         G 209  13.006   1.045 -11.241
  522    H1     G 209           H1         G 209   9.299  -3.197  -8.056
  523   1H2     G 209          1H2         G 209   7.546  -3.499  -9.100
  524   2H2     G 209          2H2         G 209   7.141  -2.720 -10.612
  525   1H5*    G 210          1H5*        G 210  10.253   6.371 -12.059
  526   2H5*    G 210          2H5*        G 210  10.238   4.714 -11.459
  527    H4*    G 210           H4*        G 210   8.333   5.020 -10.345
  528    H3*    G 210           H3*        G 210   7.293   5.979 -12.938
  529   1H2*    G 210          1H2*        G 210   6.534   7.910 -11.931
  530   2HO*    G 210          2HO*        G 210   5.046   5.816 -10.623
  531    H1*    G 210           H1*        G 210   6.390   7.205  -9.134
  532    H8     G 210           H8         G 210   9.412   8.021 -11.364
  533    H1     G 210           H1         G 210   7.850  12.536  -6.999
  534   1H2     G 210          1H2         G 210   6.174  11.937  -5.958
  535   2H2     G 210          2H2         G 210   5.319  10.434  -6.227
  536   1H5*    A 211          1H5*        A 211   7.977   3.142 -10.907
  537   2H5*    A 211          2H5*        A 211   8.124   1.388 -11.026
  538    H4*    A 211           H4*        A 211   7.019   1.548  -9.045
  539    H3*    A 211           H3*        A 211   5.005   1.235 -11.208
  540   1H2*    A 211          1H2*        A 211   3.767   2.763  -9.876
  541   2HO*    A 211          2HO*        A 211   2.820   0.658 -10.036
  542    H1*    A 211           H1*        A 211   4.958   1.419  -7.402
  543    H8     A 211           H8         A 211   4.755   5.025  -8.687
  544   1H6     A 211          1H6         A 211   1.745   6.227  -3.354
  545   2H6     A 211          2H6         A 211   2.386   6.948  -4.814
  546    H2     A 211           H2         A 211   2.591   1.869  -3.520
  547   1H5*    G 212          1H5*        G 212   3.099  -3.592  -9.433
  548   2H5*    G 212          2H5*        G 212   2.530  -2.887  -7.920
  549    H4*    G 212           H4*        G 212   5.205  -3.870  -8.675
  550    H3*    G 212           H3*        G 212   3.399  -4.047  -6.378
  551   1H2*    G 212          1H2*        G 212   4.774  -2.999  -4.898
  552   2HO*    G 212          2HO*        G 212   6.360  -4.436  -4.375
  553    H1*    G 212           H1*        G 212   7.020  -2.723  -6.884
  554    H8     G 212           H8         G 212   4.167  -0.605  -5.411
  555    H1     G 212           H1         G 212  10.112   1.886  -4.823
  556   1H2     G 212          1H2         G 212  11.484   0.600  -5.669
  557   2H2     G 212          2H2         G 212  11.083  -0.925  -6.426
  558   1H5*    G 213          1H5*        G 213   2.312  -5.257  -8.231
  559   2H5*    G 213          2H5*        G 213   1.246  -6.640  -8.479
  560    H4*    G 213           H4*        G 213   1.755  -6.021 -10.637
  561    H3*    G 213           H3*        G 213   3.543  -8.253  -9.772
  562   1H2*    G 213          1H2*        G 213   4.907  -8.065 -11.620
  563   2HO*    G 213          2HO*        G 213   2.900  -6.543 -12.964
  564    H1*    G 213           H1*        G 213   4.646  -5.312 -12.127
  565    H8     G 213           H8         G 213   5.200  -6.818  -8.644
  566    H1     G 213           H1         G 213  10.461  -4.324 -11.470
  567   1H2     G 213          1H2         G 213   9.983  -3.680 -13.369
  568   2H2     G 213          2H2         G 213   8.394  -3.798 -14.089
  569   1H5*    C 214          1H5*        C 214   2.154  -9.297 -13.825
  570   2H5*    C 214          2H5*        C 214   2.218 -11.053 -13.967
  571    H4*    C 214           H4*        C 214   3.728  -9.981 -15.545
  572    H3*    C 214           H3*        C 214   4.964 -11.662 -13.374
  573   1H2*    C 214          1H2*        C 214   7.091 -11.361 -14.356
  574   2HO*    C 214          2HO*        C 214   6.705 -11.497 -16.509
  575    H1*    C 214           H1*        C 214   6.726  -8.601 -14.786
  576   1H4     C 214          1H4         C 214   9.949  -8.672  -9.300
  577   2H4     C 214          2H4         C 214   8.600  -9.433  -8.489
  578    H5     C 214           H5         C 214   6.614 -10.098  -9.579
  579    H6     C 214           H6         C 214   5.421 -10.197 -11.739
  580   1H5*    U 215          1H5*        U 215   5.363 -13.393 -17.087
  581   2H5*    U 215          2H5*        U 215   5.422 -15.120 -17.439
  582    H4*    U 215           H4*        U 215   7.562 -14.190 -17.921
  583    H3*    U 215           H3*        U 215   7.452 -15.943 -15.491
  584   1H2*    U 215          1H2*        U 215   9.640 -15.478 -14.938
  585   2HO*    U 215          2HO*        U 215  10.809 -15.944 -16.707
  586    H1*    U 215           H1*        U 215   9.711 -12.888 -16.254
  587    H3     U 215           H3         U 215  11.256 -11.748 -12.167
  588    H5     U 215           H5         U 215   7.302 -12.912 -11.426
  589    H6     U 215           H6         U 215   7.173 -13.614 -13.771
  590   1H5*    A 216          1H5*        A 216   9.926 -17.267 -18.345
  591   2H5*    A 216          2H5*        A 216  10.326 -18.911 -18.840
  592    H4*    A 216           H4*        A 216  12.297 -18.040 -17.918
  593    H3*    A 216           H3*        A 216  10.894 -19.863 -15.975
  594   1H2*    A 216          1H2*        A 216  12.575 -19.531 -14.406
  595   2HO*    A 216          2HO*        A 216  14.043 -18.544 -16.681
  596    H1*    A 216           H1*        A 216  13.102 -16.814 -15.318
  597    H8     A 216           H8         A 216   9.690 -17.919 -14.073
  598   1H6     A 216          1H6         A 216  11.366 -15.453  -8.590
  599   2H6     A 216          2H6         A 216  10.041 -16.180  -9.472
  600    H2     A 216           H2         A 216  14.878 -15.314 -11.307
  601   1H5*    G 217          1H5*        G 217  14.466 -21.064 -16.753
  602   2H5*    G 217          2H5*        G 217  15.169 -22.676 -16.620
  603    H4*    G 217           H4*        G 217  15.959 -21.511 -14.753
  604    H3*    G 217           H3*        G 217  13.544 -23.094 -13.798
  605   1H2*    G 217          1H2*        G 217  14.361 -22.687 -11.652
  606   2HO*    G 217          2HO*        G 217  16.814 -22.110 -13.049
  607    H1*    G 217           H1*        G 217  15.545 -20.156 -12.383
  608    H8     G 217           H8         G 217  11.883 -20.965 -13.023
  609    H1     G 217           H1         G 217  13.040 -17.714  -7.548
  610   1H2     G 217          1H2         G 217  15.075 -17.555  -7.258
  611   2H2     G 217          2H2         G 217  16.288 -18.206  -8.337
  612   1H5*    U 218          1H5*        U 218  16.707 -24.808 -12.473
  613   2H5*    U 218          2H5*        U 218  16.833 -26.468 -11.892
  614    H4*    U 218           H4*        U 218  16.825 -25.072  -9.984
  615    H3*    U 218           H3*        U 218  13.980 -26.122 -10.237
  616   1H2*    U 218          1H2*        U 218  13.868 -25.616  -7.974
  617   2HO*    U 218          2HO*        U 218  16.724 -25.917  -8.179
  618    H1*    U 218           H1*        U 218  15.729 -23.499  -7.969
  619    H3     U 218           H3         U 218  12.153 -20.938  -7.149
  620    H5     U 218           H5         U 218  11.167 -22.718 -10.809
  621    H6     U 218           H6         U 218  13.250 -24.000 -10.634
  622   1H5*    C 219          1H5*        C 219  15.756 -28.239  -7.648
  623   2H5*    C 219          2H5*        C 219  15.331 -29.860  -7.099
  624    H4*    C 219           H4*        C 219  14.838 -27.838  -5.571
  625    H3*    C 219           H3*        C 219  13.078 -30.191  -6.082
  626   1H2*    C 219          1H2*        C 219  11.282 -28.789  -5.701
  627   2HO*    C 219          2HO*        C 219  12.673 -28.810  -3.178
  628    H1*    C 219           H1*        C 219  12.556 -26.666  -4.135
  629   1H4     C 219          1H4         C 219   9.148 -23.174  -8.202
  630   2H4     C 219          2H4         C 219   9.656 -24.169  -9.548
  631    H5     C 219           H5         C 219  11.077 -26.044  -9.335
  632    H6     C 219           H6         C 219  12.373 -27.438  -7.763
  633   1H5*    C 220          1H5*        C 220  12.424 -31.672  -2.124
  634   2H5*    C 220          2H5*        C 220  12.582 -33.348  -2.646
  635    H4*    C 220           H4*        C 220  10.275 -32.877  -2.195
  636    H3*    C 220           H3*        C 220  10.879 -33.164  -5.148
  637   1H2*    C 220          1H2*        C 220   8.589 -33.093  -5.561
  638   2HO*    C 220          2HO*        C 220   8.403 -33.652  -2.740
  639    H1*    C 220           H1*        C 220   8.020 -31.314  -3.373
  640   1H4     C 220          1H4         C 220   7.376 -27.323  -8.274
  641   2H4     C 220          2H4         C 220   8.888 -27.863  -8.967
  642    H5     C 220           H5         C 220  10.250 -29.538  -8.010
  643    H6     C 220           H6         C 220  10.499 -31.125  -6.133
   
  No H/Q in entry =         643
  Start of MODEL   19
    1    H    MET   1           HN       MET   1   7.216 -11.427   5.169
    2    HA   MET   1           HA       MET   1   4.592 -12.514   5.746
    3   1HB   MET   1          2HB       MET   1   5.458  -9.701   6.013
    4   2HB   MET   1          3HB       MET   1   4.144  -9.847   4.863
    5   1HG   MET   1          2HG       MET   1   2.728  -9.899   6.645
    6   2HG   MET   1          3HG       MET   1   3.329 -11.513   6.974
    7   1HE   MET   1          3HE       MET   1   2.252 -10.676   9.126
    8   2HE   MET   1          1HE       MET   1   3.253 -10.078  10.472
    9   3HE   MET   1          2HE       MET   1   2.439  -8.925   9.387
   10    H    GLN   2           HN       GLN   2   3.016 -11.786   3.817
   11    HA   GLN   2           HA       GLN   2   4.084 -12.899   1.534
   12   1HB   GLN   2          2HB       GLN   2   1.550 -11.637   2.361
   13   2HB   GLN   2          3HB       GLN   2   1.894 -11.394   0.660
   14   1HG   GLN   2          2HG       GLN   2   2.481 -13.990   0.698
   15   2HG   GLN   2          3HG       GLN   2   1.518 -13.997   2.162
   16   1HE2  GLN   2          2HE2      GLN   2  -0.372 -14.489  -1.197
   17   2HE2  GLN   2          1HE2      GLN   2   1.218 -14.982  -0.719
   18    H    LYS   3           HN       LYS   3   3.555 -11.468  -0.714
   19    HA   LYS   3           HA       LYS   3   4.223  -9.829  -2.041
   20   1HB   LYS   3          2HB       LYS   3   3.869  -8.450   0.499
   21   2HB   LYS   3          3HB       LYS   3   5.145  -7.717  -0.452
   22   1HG   LYS   3          2HG       LYS   3   3.513  -7.797  -2.457
   23   2HG   LYS   3          3HG       LYS   3   2.260  -8.213  -1.305
   24   1HD   LYS   3          2HD       LYS   3   3.533  -6.003  -0.116
   25   2HD   LYS   3          3HD       LYS   3   3.533  -5.603  -1.822
   26   1HE   LYS   3          2HE       LYS   3   1.444  -4.766  -1.109
   27   2HE   LYS   3          3HE       LYS   3   1.011  -6.323  -1.786
   28   1HZ   LYS   3          1HZ       LYS   3   1.646  -6.082   1.089
   29   2HZ   LYS   3          2HZ       LYS   3   0.146  -5.754   0.548
   30    H    GLY   4           HN       GLY   4   5.900 -11.789  -2.017
   31   1HA   GLY   4          1HA       GLY   4   8.427 -11.477  -0.884
   32   2HA   GLY   4          2HA       GLY   4   8.038 -12.409  -2.317
   33    H    ASN   5           HN       ASN   5   6.879  -9.854  -3.626
   34    HA   ASN   5           HA       ASN   5   9.076  -9.224  -5.115
   35   1HB   ASN   5          2HB       ASN   5   6.458  -8.691  -5.370
   36   2HB   ASN   5          3HB       ASN   5   6.907  -7.156  -4.653
   37   1HD2  ASN   5          2HD2      ASN   5   8.006  -5.782  -7.614
   38   2HD2  ASN   5          1HD2      ASN   5   7.323  -5.623  -6.031
   39    H    PHE   6           HN       PHE   6   8.090  -8.183  -1.921
   40    HA   PHE   6           HA       PHE   6   9.179  -5.630  -1.825
   41   1HB   PHE   6          2HB       PHE   6   7.766  -6.403  -0.028
   42   2HB   PHE   6          3HB       PHE   6   8.619  -7.928   0.100
   43    HD1  PHE   6           HD2      PHE   6  10.993  -7.888   1.050
   44    HD2  PHE   6           HD1      PHE   6   8.318  -4.610   1.379
   45    HE1  PHE   6           HE2      PHE   6  12.350  -6.972   2.952
   46    HE2  PHE   6           HE1      PHE   6   9.675  -3.694   3.281
   47    HZ   PHE   6           HZ       PHE   6  11.675  -4.885   4.045
   48    H    ARG   7           HN       ARG   7  10.728  -8.699  -2.193
   49    HA   ARG   7           HA       ARG   7  13.014  -8.292  -0.721
   50   1HB   ARG   7          2HB       ARG   7  14.033  -9.996  -2.239
   51   2HB   ARG   7          3HB       ARG   7  12.422 -10.469  -1.739
   52   1HG   ARG   7          2HG       ARG   7  11.540  -9.438  -3.909
   53   2HG   ARG   7          3HG       ARG   7  13.205  -9.213  -4.409
   54   1HD   ARG   7          2HD       ARG   7  13.251 -11.353  -5.161
   55   2HD   ARG   7          3HD       ARG   7  13.017 -11.923  -3.520
   56    HE   ARG   7           HE       ARG   7  10.777 -12.373  -4.022
   57   1HH1  ARG   7          2HH2      ARG   7  12.056 -10.141  -6.459
   58   2HH1  ARG   7          1HH2      ARG   7  10.636 -10.213  -7.449
   59    HH2  ARG   7           HH1      ARG   7   8.797 -11.588  -6.765
   60    H    ASN   8           HN       ASN   8  11.818  -6.576  -3.442
   61    HA   ASN   8           HA       ASN   8  14.035  -6.089  -4.940
   62   1HB   ASN   8          2HB       ASN   8  12.889  -3.859  -5.461
   63   2HB   ASN   8          3HB       ASN   8  11.863  -5.266  -5.658
   64   1HD2  ASN   8          2HD2      ASN   8  10.401  -2.355  -3.571
   65   2HD2  ASN   8          1HD2      ASN   8  11.430  -2.351  -4.964
   66    H    GLN   9           HN       GLN   9  13.288  -5.195  -1.650
   67    HA   GLN   9           HA       GLN   9  14.606  -2.783  -1.442
   68   1HB   GLN   9          2HB       GLN   9  13.810  -4.972   0.453
   69   2HB   GLN   9          3HB       GLN   9  14.964  -3.793   1.041
   70   1HG   GLN   9          2HG       GLN   9  13.342  -1.968   0.209
   71   2HG   GLN   9          3HG       GLN   9  12.170  -3.245  -0.050
   72   1HE2  GLN   9          2HE2      GLN   9  11.224  -2.107   3.213
   73   2HE2  GLN   9          1HE2      GLN   9  11.062  -1.763   1.523
   74    H    ARG  10           HN       ARG  10  15.843  -5.895  -2.182
   75    HA   ARG  10           HA       ARG  10  18.253  -5.820  -0.832
   76   1HB   ARG  10          2HB       ARG  10  18.914  -7.620  -2.282
   77   2HB   ARG  10          3HB       ARG  10  17.178  -7.783  -2.114
   78   1HG   ARG  10          2HG       ARG  10  17.007  -6.332  -4.274
   79   2HG   ARG  10          3HG       ARG  10  18.722  -6.637  -4.474
   80   1HD   ARG  10          2HD       ARG  10  18.068  -9.177  -4.155
   81   2HD   ARG  10          3HD       ARG  10  16.438  -8.640  -4.509
   82    HE   ARG  10           HE       ARG  10  18.522  -7.760  -6.418
   83   1HH1  ARG  10          2HH2      ARG  10  15.957 -10.092  -5.686
   84   2HH1  ARG  10          1HH2      ARG  10  15.777 -10.600  -7.333
   85    HH2  ARG  10           HH1      ARG  10  17.158  -9.609  -9.023
   86    H    LYS  11           HN       LYS  11  17.035  -3.789  -3.298
   87    HA   LYS  11           HA       LYS  11  19.768  -2.976  -4.008
   88   1HB   LYS  11          2HB       LYS  11  18.721  -4.080  -5.915
   89   2HB   LYS  11          3HB       LYS  11  17.315  -3.043  -5.790
   90   1HG   LYS  11          2HG       LYS  11  18.483  -1.128  -6.530
   91   2HG   LYS  11          3HG       LYS  11  20.043  -1.763  -6.049
   92   1HD   LYS  11          2HD       LYS  11  20.178  -2.072  -8.355
   93   2HD   LYS  11          3HD       LYS  11  19.529  -3.629  -7.879
   94   1HE   LYS  11          2HE       LYS  11  17.915  -3.171  -9.446
   95   2HE   LYS  11          3HE       LYS  11  17.192  -2.223  -8.162
   96   1HZ   LYS  11          1HZ       LYS  11  19.224  -0.796  -9.639
   97   2HZ   LYS  11          2HZ       LYS  11  17.945  -1.216 -10.554
   98    H    THR  12           HN       THR  12  18.393  -2.082  -1.685
   99    HA   THR  12           HA       THR  12  17.399  -0.274  -0.747
  100    HB   THR  12           HB       THR  12  19.968   0.094  -1.236
  101    HG1  THR  12           HG1      THR  12  18.656   1.242   0.363
  102   1HG2  THR  12          1HG2      THR  12  18.918   1.245  -3.597
  103   2HG2  THR  12          2HG2      THR  12  19.252   2.635  -2.536
  104   3HG2  THR  12          3HG2      THR  12  20.557   1.495  -2.949
  105    H    VAL  13           HN       VAL  13  15.662  -1.055  -2.681
  106    HA   VAL  13           HA       VAL  13  15.036   0.467  -4.771
  107    HB   VAL  13           HB       VAL  13  12.628   0.103  -4.100
  108   1HG1  VAL  13          2HG1      VAL  13  14.732  -1.898  -4.580
  109   2HG1  VAL  13          3HG1      VAL  13  13.250  -2.565  -3.852
  110   3HG1  VAL  13          1HG1      VAL  13  13.161  -1.665  -5.384
  111   1HG2  VAL  13          2HG2      VAL  13  14.004  -0.908  -1.615
  112   2HG2  VAL  13          3HG2      VAL  13  12.580   0.150  -1.766
  113   3HG2  VAL  13          1HG2      VAL  13  12.442  -1.586  -2.138
  114    H    LYS  14           HN       LYS  14  13.669   2.372  -5.152
  115    HA   LYS  14           HA       LYS  14  14.074   4.338  -3.017
  116   1HB   LYS  14          2HB       LYS  14  14.266   5.992  -4.660
  117   2HB   LYS  14          3HB       LYS  14  15.164   4.634  -5.307
  118   1HG   LYS  14          2HG       LYS  14  13.246   3.979  -6.719
  119   2HG   LYS  14          3HG       LYS  14  12.251   5.232  -6.003
  120   1HD   LYS  14          2HD       LYS  14  14.839   5.793  -7.525
  121   2HD   LYS  14          3HD       LYS  14  13.251   5.837  -8.263
  122   1HE   LYS  14          2HE       LYS  14  12.726   7.861  -7.319
  123   2HE   LYS  14          3HE       LYS  14  13.407   7.423  -5.764
  124   1HZ   LYS  14          1HZ       LYS  14  14.652   9.212  -6.954
  125   2HZ   LYS  14          2HZ       LYS  14  15.599   7.941  -6.579
  126    H    CYS  15           HN       CYS  15  12.352   5.424  -2.116
  127    HA   CYS  15           HA       CYS  15   9.802   4.251  -2.531
  128   1HB   CYS  15          2HB       CYS  15  10.547   4.993  -0.306
  129   2HB   CYS  15          3HB       CYS  15  10.617   6.653  -0.861
  130    H    PHE  16           HN       PHE  16   8.479   4.791  -4.230
  131    HA   PHE  16           HA       PHE  16   8.999   7.180  -5.719
  132   1HB   PHE  16          2HB       PHE  16   7.000   4.857  -5.770
  133   2HB   PHE  16          3HB       PHE  16   6.837   6.188  -6.897
  134    HD1  PHE  16           HD1      PHE  16   9.635   6.736  -7.617
  135    HD2  PHE  16           HD2      PHE  16   7.644   3.033  -7.049
  136    HE1  PHE  16           HE1      PHE  16  11.266   5.623  -9.167
  137    HE2  PHE  16           HE2      PHE  16   9.274   1.919  -8.600
  138    HZ   PHE  16           HZ       PHE  16  11.065   3.226  -9.640
  139    H    ASN  17           HN       ASN  17   7.723   6.975  -2.777
  140    HA   ASN  17           HA       ASN  17   5.363   8.550  -3.390
  141   1HB   ASN  17          2HB       ASN  17   5.432   6.493  -1.727
  142   2HB   ASN  17          3HB       ASN  17   6.198   7.611  -0.615
  143   1HD2  ASN  17          2HD2      ASN  17   2.970   8.308   0.533
  144   2HD2  ASN  17          1HD2      ASN  17   4.489   7.523   0.812
  145    H    CYS  18           HN       CYS  18   8.312   8.420  -1.259
  146    HA   CYS  18           HA       CYS  18   8.045  11.299  -0.850
  147   1HB   CYS  18          2HB       CYS  18   9.621  10.990   1.027
  148   2HB   CYS  18          3HB       CYS  18   8.164  10.034   1.214
  149    H    GLY  19           HN       GLY  19  10.260   8.634  -1.875
  150   1HA   GLY  19          1HA       GLY  19  11.647   8.948  -3.784
  151   2HA   GLY  19          2HA       GLY  19  11.843  10.636  -3.355
  152    H    LYS  20           HN       LYS  20  11.916   8.032  -0.910
  153    HA   LYS  20           HA       LYS  20  14.798   8.533  -0.629
  154   1HB   LYS  20          2HB       LYS  20  12.584   8.463   1.353
  155   2HB   LYS  20          3HB       LYS  20  14.078   7.686   1.836
  156   1HG   LYS  20          2HG       LYS  20  14.989   9.714   2.266
  157   2HG   LYS  20          3HG       LYS  20  14.830  10.141   0.574
  158   1HD   LYS  20          2HD       LYS  20  12.251  10.313   1.990
  159   2HD   LYS  20          3HD       LYS  20  13.468  11.333   2.730
  160   1HE   LYS  20          2HE       LYS  20  13.010  11.344  -0.280
  161   2HE   LYS  20          3HE       LYS  20  12.058  12.352   0.792
  162   1HZ   LYS  20          1HZ       LYS  20  13.796  13.746   1.066
  163   2HZ   LYS  20          2HZ       LYS  20  14.877  12.554   1.317
  164    H    GLU  21           HN       GLU  21  16.172   6.762  -0.446
  165    HA   GLU  21           HA       GLU  21  14.987   4.304  -1.312
  166   1HB   GLU  21          2HB       GLU  21  17.823   5.306  -0.947
  167   2HB   GLU  21          3HB       GLU  21  17.520   3.598  -1.197
  168   1HG   GLU  21          2HG       GLU  21  17.270   3.937  -3.422
  169   2HG   GLU  21          3HG       GLU  21  15.944   5.044  -3.128
  170    HE2  GLU  21           HE2      GLU  21  18.915   6.160  -4.878
  171    H    GLY  22           HN       GLY  22  14.938   2.333  -0.146
  172   1HA   GLY  22          1HA       GLY  22  15.896   1.140   1.798
  173   2HA   GLY  22          2HA       GLY  22  15.595   2.594   2.729
  174    H    HIS  23           HN       HIS  23  13.129   2.377   0.425
  175    HA   HIS  23           HA       HIS  23  11.500   0.383   1.461
  176   1HB   HIS  23          2HB       HIS  23  10.047   1.447   2.950
  177   2HB   HIS  23          3HB       HIS  23  11.649   1.922   3.481
  178    HD1  HIS  23           HD1      HIS  23  12.304   4.427   3.275
  179    HD2  HIS  23           HD2      HIS  23   8.470   3.538   1.824
  180    HE1  HIS  23           HE1      HIS  23  11.135   6.667   2.925
  181    H    ILE  24           HN       ILE  24   9.267   0.518   0.529
  182    HA   ILE  24           HA       ILE  24   9.323   2.233  -1.852
  183    HB   ILE  24           HB       ILE  24   8.140   0.575  -3.017
  184   1HG1  ILE  24          2HG1      ILE  24   7.831  -1.018  -0.457
  185   2HG1  ILE  24          3HG1      ILE  24   6.583   0.015  -1.126
  186   1HG2  ILE  24          3HG2      ILE  24  10.618  -0.050  -1.683
  187   2HG2  ILE  24          1HG2      ILE  24   9.684  -1.535  -1.983
  188   3HG2  ILE  24          2HG2      ILE  24  10.083  -0.446  -3.333
  189   1HD1  ILE  24          1HD1      ILE  24   7.894  -2.175  -2.785
  190   2HD1  ILE  24          2HD1      ILE  24   6.476  -2.486  -1.754
  191   3HD1  ILE  24          3HD1      ILE  24   6.361  -1.325  -3.100
  192    H    ALA  25           HN       ALA  25   7.191   3.055  -2.604
  193    HA   ALA  25           HA       ALA  25   5.896   4.489  -0.684
  194   1HB   ALA  25          2HB       ALA  25   5.804   4.810  -3.168
  195   2HB   ALA  25          3HB       ALA  25   4.695   3.421  -3.271
  196   3HB   ALA  25          1HB       ALA  25   4.206   4.888  -2.389
  197    H    LYS  26           HN       LYS  26   5.276   1.140  -1.807
  198    HA   LYS  26           HA       LYS  26   2.799   0.806  -0.584
  199   1HB   LYS  26          2HB       LYS  26   4.936  -1.288  -1.079
  200   2HB   LYS  26          3HB       LYS  26   3.226  -1.578  -0.839
  201   1HG   LYS  26          2HG       LYS  26   3.954   0.368  -3.006
  202   2HG   LYS  26          3HG       LYS  26   4.358  -1.312  -3.303
  203   1HD   LYS  26          2HD       LYS  26   1.645  -1.012  -2.183
  204   2HD   LYS  26          3HD       LYS  26   1.839  -0.115  -3.675
  205   1HE   LYS  26          2HE       LYS  26   2.977  -2.348  -4.556
  206   2HE   LYS  26          3HE       LYS  26   2.137  -3.095  -3.212
  207   1HZ   LYS  26          1HZ       LYS  26   0.378  -1.365  -4.623
  208   2HZ   LYS  26          2HZ       LYS  26   1.038  -2.432  -5.661
  209    H    ASN  27           HN       ASN  27   6.163   0.312   0.640
  210    HA   ASN  27           HA       ASN  27   5.057  -0.328   3.222
  211   1HB   ASN  27          2HB       ASN  27   7.889  -0.288   2.076
  212   2HB   ASN  27          3HB       ASN  27   7.598  -0.536   3.787
  213   1HD2  ASN  27          2HD2      ASN  27   6.249  -3.339   1.029
  214   2HD2  ASN  27          1HD2      ASN  27   6.349  -1.654   0.640
  215    H    CYS  28           HN       CYS  28   5.333   2.448   1.591
  216    HA   CYS  28           HA       CYS  28   6.963   3.982   3.376
  217   1HB   CYS  28          2HB       CYS  28   6.846   4.548   0.987
  218   2HB   CYS  28          3HB       CYS  28   5.124   4.850   1.119
  219    H    ARG  29           HN       ARG  29   6.239   5.093   5.189
  220    HA   ARG  29           HA       ARG  29   3.697   4.479   6.152
  221   1HB   ARG  29          2HB       ARG  29   5.992   6.232   7.022
  222   2HB   ARG  29          3HB       ARG  29   4.442   6.513   7.786
  223   1HG   ARG  29          2HG       ARG  29   5.283   3.646   7.578
  224   2HG   ARG  29          3HG       ARG  29   6.243   4.642   8.655
  225   1HD   ARG  29          2HD       ARG  29   4.369   5.176  10.039
  226   2HD   ARG  29          3HD       ARG  29   3.209   4.719   8.807
  227    HE   ARG  29           HE       ARG  29   3.499   2.434   9.371
  228   1HH1  ARG  29          2HH2      ARG  29   5.837   4.445  11.115
  229   2HH1  ARG  29          1HH2      ARG  29   6.306   3.178  12.200
  230    HH2  ARG  29           HH1      ARG  29   5.281   1.021  11.997
  231    H    ALA  30           HN       ALA  30   5.086   7.206   4.331
  232    HA   ALA  30           HA       ALA  30   3.150   9.131   4.867
  233   1HB   ALA  30          2HB       ALA  30   5.315   9.585   3.791
  234   2HB   ALA  30          3HB       ALA  30   4.821   8.639   2.368
  235   3HB   ALA  30          1HB       ALA  30   3.977  10.154   2.766
  236    HA   PRO  31           HA       PRO  31  -0.280   7.745   2.628
  237   1HB   PRO  31          2HB       PRO  31  -1.551  10.088   2.027
  238   2HB   PRO  31          3HB       PRO  31  -1.652   9.319   3.598
  239   1HG   PRO  31          2HG       PRO  31  -0.105  11.708   2.801
  240   2HG   PRO  31          3HG       PRO  31  -0.558  11.181   4.409
  241   1HD   PRO  31          2HD       PRO  31   2.025  10.937   3.186
  242   2HD   PRO  31          3HD       PRO  31   1.541  10.306   4.748
  243    H    ARG  32           HN       ARG  32  -1.335   7.442   0.586
  244    HA   ARG  32           HA       ARG  32   0.486   7.402  -1.440
  245   1HB   ARG  32          2HB       ARG  32  -2.079   6.460  -1.064
  246   2HB   ARG  32          3HB       ARG  32  -2.377   7.711  -2.253
  247   1HG   ARG  32          2HG       ARG  32  -1.841   6.040  -3.741
  248   2HG   ARG  32          3HG       ARG  32  -0.201   6.557  -3.405
  249   1HD   ARG  32          2HD       ARG  32  -1.508   4.456  -1.645
  250   2HD   ARG  32          3HD       ARG  32  -0.827   3.995  -3.192
  251    HE   ARG  32           HE       ARG  32   1.363   4.568  -2.402
  252   1HH1  ARG  32          2HH2      ARG  32  -1.123   5.188   0.043
  253   2HH1  ARG  32          1HH2      ARG  32   0.013   5.324   1.343
  254    HH2  ARG  32           HH1      ARG  32   2.352   5.061   0.890
  255    H    LYS  33           HN       LYS  33   1.516   9.221  -2.247
  256    HA   LYS  33           HA       LYS  33  -0.231  11.422  -3.090
  257   1HB   LYS  33          2HB       LYS  33   1.606  11.544  -0.974
  258   2HB   LYS  33          3HB       LYS  33   2.425  12.319  -2.314
  259   1HG   LYS  33          2HG       LYS  33   0.108  13.553  -2.681
  260   2HG   LYS  33          3HG       LYS  33  -0.219  13.066  -1.029
  261   1HD   LYS  33          2HD       LYS  33   2.430  14.390  -1.639
  262   2HD   LYS  33          3HD       LYS  33   0.993  15.393  -1.572
  263   1HE   LYS  33          2HE       LYS  33   1.715  15.456   0.664
  264   2HE   LYS  33          3HE       LYS  33   0.523  14.171   0.717
  265   1HZ   LYS  33          1HZ       LYS  33   2.258  12.541   0.630
  266   2HZ   LYS  33          2HZ       LYS  33   3.412  13.640   0.291
  267    H    LYS  34           HN       LYS  34   1.450  12.974  -4.512
  268    HA   LYS  34           HA       LYS  34   3.133  11.307  -6.162
  269   1HB   LYS  34          2HB       LYS  34   0.604  11.215  -6.930
  270   2HB   LYS  34          3HB       LYS  34   0.967  12.785  -7.617
  271   1HG   LYS  34          2HG       LYS  34   1.775  11.622  -9.405
  272   2HG   LYS  34          3HG       LYS  34   3.187  11.332  -8.409
  273   1HD   LYS  34          2HD       LYS  34   2.576   9.153  -9.083
  274   2HD   LYS  34          3HD       LYS  34   1.876   9.268  -7.482
  275   1HE   LYS  34          2HE       LYS  34  -0.319   9.968  -8.544
  276   2HE   LYS  34          3HE       LYS  34   0.400   9.709 -10.120
  277   1HZ   LYS  34          1HZ       LYS  34  -0.452   7.632  -9.771
  278   2HZ   LYS  34          2HZ       LYS  34   0.948   7.372  -8.979
  279    H    GLY  35           HN       GLY  35   4.159  13.113  -4.528
  280   1HA   GLY  35          1HA       GLY  35   4.298  15.682  -5.947
  281   2HA   GLY  35          2HA       GLY  35   4.815  15.354  -4.305
  282    H    CYS  36           HN       CYS  36   6.044  16.206  -7.189
  283    HA   CYS  36           HA       CYS  36   8.026  14.326  -7.717
  284   1HB   CYS  36          2HB       CYS  36   7.458  15.964  -9.378
  285   2HB   CYS  36          3HB       CYS  36   7.853  17.293  -8.307
  286    H    TRP  37           HN       TRP  37   9.747  13.745  -6.439
  287    HA   TRP  37           HA       TRP  37  10.414  15.419  -4.181
  288   1HB   TRP  37          2HB       TRP  37  12.141  13.153  -4.489
  289   2HB   TRP  37          3HB       TRP  37  10.980  13.513  -3.226
  290    HD1  TRP  37           HD1      TRP  37   8.381  12.565  -3.700
  291    HE1  TRP  37           HE1      TRP  37   7.476  10.441  -4.979
  292    HE3  TRP  37           HE3      TRP  37  12.618  11.727  -6.383
  293    HZ2  TRP  37           HZ2      TRP  37   8.609   8.689  -6.927
  294    HZ3  TRP  37           HZ3      TRP  37  12.636   9.788  -7.951
  295    HH2  TRP  37           HH2      TRP  37  10.723   8.296  -8.245
  296    H    LYS  38           HN       LYS  38  10.856  16.572  -6.819
  297    HA   LYS  38           HA       LYS  38  13.779  16.776  -6.700
  298   1HB   LYS  38          2HB       LYS  38  12.463  15.494  -8.743
  299   2HB   LYS  38          3HB       LYS  38  12.585  17.123  -9.373
  300   1HG   LYS  38          2HG       LYS  38  14.616  16.116 -10.063
  301   2HG   LYS  38          3HG       LYS  38  15.083  17.043  -8.652
  302   1HD   LYS  38          2HD       LYS  38  14.234  14.511  -7.656
  303   2HD   LYS  38          3HD       LYS  38  15.204  14.157  -9.071
  304   1HE   LYS  38          2HE       LYS  38  16.912  15.889  -8.054
  305   2HE   LYS  38          3HE       LYS  38  16.019  15.664  -6.563
  306   1HZ   LYS  38          1HZ       LYS  38  17.869  14.090  -6.739
  307   2HZ   LYS  38          2HZ       LYS  38  16.463  13.270  -6.723
  308    H    CYS  39           HN       CYS  39  10.653  18.236  -7.799
  309    HA   CYS  39           HA       CYS  39  11.916  20.846  -7.401
  310   1HB   CYS  39          2HB       CYS  39  10.033  21.716  -8.826
  311   2HB   CYS  39          3HB       CYS  39  11.170  20.673  -9.657
  312    H    GLY  40           HN       GLY  40   9.277  18.605  -6.559
  313   1HA   GLY  40          1HA       GLY  40   8.232  18.616  -4.477
  314   2HA   GLY  40          2HA       GLY  40   8.598  20.318  -4.281
  315    H    LYS  41           HN       LYS  41   7.389  19.229  -7.415
  316    HA   LYS  41           HA       LYS  41   4.928  20.699  -6.876
  317   1HB   LYS  41          2HB       LYS  41   6.723  20.708  -9.014
  318   2HB   LYS  41          3HB       LYS  41   5.350  19.805  -9.621
  319   1HG   LYS  41          2HG       LYS  41   3.811  21.615  -9.084
  320   2HG   LYS  41          3HG       LYS  41   5.042  22.475  -8.181
  321   1HD   LYS  41          2HD       LYS  41   6.288  22.190 -10.636
  322   2HD   LYS  41          3HD       LYS  41   4.611  22.328 -11.124
  323   1HE   LYS  41          2HE       LYS  41   5.860  24.281  -9.146
  324   2HE   LYS  41          3HE       LYS  41   5.973  24.530 -10.877
  325   1HZ   LYS  41          1HZ       LYS  41   3.404  24.202  -9.419
  326   2HZ   LYS  41          2HZ       LYS  41   4.017  25.636  -9.888
  327    H    GLU  42           HN       GLU  42   3.014  19.683  -6.566
  328    HA   GLU  42           HA       GLU  42   3.047  16.821  -6.747
  329   1HB   GLU  42          2HB       GLU  42   0.862  16.960  -5.595
  330   2HB   GLU  42          3HB       GLU  42   2.081  17.900  -4.755
  331   1HG   GLU  42          2HG       GLU  42   0.772  19.740  -4.936
  332   2HG   GLU  42          3HG       GLU  42   0.912  19.661  -6.680
  333    HE2  GLU  42           HE2      GLU  42  -1.619  20.378  -6.359
  334    H    GLY  43           HN       GLY  43   2.310  15.684  -8.489
  335   1HA   GLY  43          1HA       GLY  43   0.144  15.630  -9.873
  336   2HA   GLY  43          2HA       GLY  43   0.741  17.153 -10.501
  337    H    HIS  44           HN       HIS  44   3.507  16.733 -10.697
  338    HA   HIS  44           HA       HIS  44   3.549  14.651 -12.744
  339   1HB   HIS  44          2HB       HIS  44   5.215  15.877 -13.854
  340   2HB   HIS  44          3HB       HIS  44   4.030  17.063 -13.340
  341    HD1  HIS  44           HD1      HIS  44   4.815  18.936 -11.799
  342    HD2  HIS  44           HD2      HIS  44   7.672  15.904 -12.293
  343    HE1  HIS  44           HE1      HIS  44   6.967  19.800 -10.735
  344    H    GLN  45           HN       GLN  45   6.152  13.992 -13.007
  345    HA   GLN  45           HA       GLN  45   7.039  13.321 -10.321
  346   1HB   GLN  45          2HB       GLN  45   7.465  11.011 -10.949
  347   2HB   GLN  45          3HB       GLN  45   5.789  11.380 -11.301
  348   1HG   GLN  45          2HG       GLN  45   7.014  12.091 -13.685
  349   2HG   GLN  45          3HG       GLN  45   8.020  10.752 -13.167
  350   1HE2  GLN  45          2HE2      GLN  45   5.823   8.411 -14.426
  351   2HE2  GLN  45          1HE2      GLN  45   7.435   8.996 -14.180
  352    H    MET  46           HN       MET  46   9.393  12.660 -10.262
  353    HA   MET  46           HA       MET  46  10.956  14.507 -11.475
  354   1HB   MET  46          2HB       MET  46  11.610  13.067  -9.530
  355   2HB   MET  46          3HB       MET  46  11.673  11.661 -10.573
  356   1HG   MET  46          2HG       MET  46  13.416  13.058 -11.975
  357   2HG   MET  46          3HG       MET  46  13.534  14.064 -10.544
  358   1HE   MET  46          3HE       MET  46  15.692  12.756 -11.908
  359   2HE   MET  46          1HE       MET  46  16.464  12.982 -10.319
  360   3HE   MET  46          2HE       MET  46  16.493  11.385 -11.104
  361    H    LYS  47           HN       LYS  47  10.152  11.173 -12.595
  362    HA   LYS  47           HA       LYS  47  11.942  11.041 -14.701
  363   1HB   LYS  47          2HB       LYS  47  10.632   9.150 -13.780
  364   2HB   LYS  47          3HB       LYS  47   9.175   9.816 -14.490
  365   1HG   LYS  47          2HG       LYS  47  11.447   9.548 -16.397
  366   2HG   LYS  47          3HG       LYS  47  10.868   8.024 -15.750
  367   1HD   LYS  47          2HD       LYS  47   8.788   9.990 -16.678
  368   2HD   LYS  47          3HD       LYS  47   9.749   9.208 -17.917
  369   1HE   LYS  47          2HE       LYS  47   9.132   6.970 -17.002
  370   2HE   LYS  47          3HE       LYS  47   8.202   7.735 -15.729
  371   1HZ   LYS  47          1HZ       LYS  47   6.537   8.267 -17.183
  372   2HZ   LYS  47          2HZ       LYS  47   7.527   8.547 -18.446
  373    H    ASP  48           HN       ASP  48   8.746  12.631 -14.407
  374    HA   ASP  48           HA       ASP  48   9.165  13.614 -17.119
  375   1HB   ASP  48          2HB       ASP  48   6.905  12.379 -15.924
  376   2HB   ASP  48          3HB       ASP  48   6.487  14.079 -16.015
  377    HD1  ASP  48           HD2      ASP  48   6.445  14.993 -18.020
  378    H    CYS  49           HN       CYS  49  10.435  14.705 -14.701
  379    HA   CYS  49           HA       CYS  49   9.078  16.717 -13.452
  380   1HB   CYS  49          2HB       CYS  49  11.368  15.884 -12.877
  381   2HB   CYS  49          3HB       CYS  49  12.009  16.777 -14.241
  382    H    THR  50           HN       THR  50   7.919  18.361 -14.398
  383    HA   THR  50           HA       THR  50   8.551  19.216 -17.071
  384    HB   THR  50           HB       THR  50   6.211  18.914 -16.160
  385    HG1  THR  50           HG1      THR  50   6.265  20.396 -17.850
  386   1HG2  THR  50          1HG2      THR  50   7.255  20.913 -14.202
  387   2HG2  THR  50          2HG2      THR  50   5.678  21.326 -14.919
  388   3HG2  THR  50          3HG2      THR  50   5.884  19.789 -14.046
  389    H    GLU  51           HN       GLU  51  10.097  19.790 -14.230
  390    HA   GLU  51           HA       GLU  51  11.081  22.278 -15.274
  391   1HB   GLU  51          2HB       GLU  51   9.283  22.159 -12.982
  392   2HB   GLU  51          3HB       GLU  51  10.843  22.786 -12.490
  393   1HG   GLU  51          2HG       GLU  51  10.541  24.198 -14.795
  394   2HG   GLU  51          3HG       GLU  51   8.849  23.945 -14.415
  395    HE2  GLU  51           HE2      GLU  51   8.083  25.431 -13.240
  396    H    ARG  52           HN       ARG  52  12.752  20.474 -15.654
  397    HA   ARG  52           HA       ARG  52  13.986  19.061 -13.776
  398   1HB   ARG  52          2HB       ARG  52  14.491  19.521 -16.377
  399   2HB   ARG  52          3HB       ARG  52  15.742  20.564 -15.729
  400   1HG   ARG  52          2HG       ARG  52  16.672  18.666 -14.415
  401   2HG   ARG  52          3HG       ARG  52  15.395  17.617 -14.998
  402   1HD   ARG  52          2HD       ARG  52  16.677  18.901 -17.273
  403   2HD   ARG  52          3HD       ARG  52  17.910  18.184 -16.253
  404    HE   ARG  52           HE       ARG  52  17.041  16.030 -16.710
  405   1HH1  ARG  52          2HH2      ARG  52  14.877  18.519 -18.005
  406   2HH1  ARG  52          1HH2      ARG  52  13.944  17.398 -18.938
  407    HH2  ARG  52           HH1      ARG  52  14.510  15.070 -18.886
  408    H    GLN  53           HN       GLN  53  15.477  19.390 -12.085
  409    HA   GLN  53           HA       GLN  53  17.122  21.566 -11.850
  410   1HB   GLN  53          2HB       GLN  53  14.463  22.327 -11.292
  411   2HB   GLN  53          3HB       GLN  53  15.194  22.126  -9.712
  412   1HG   GLN  53          2HG       GLN  53  17.115  23.592 -10.453
  413   2HG   GLN  53          3HG       GLN  53  16.300  23.844 -11.985
  414   1HE2  GLN  53          2HE2      GLN  53  15.144  26.790 -10.432
  415   2HE2  GLN  53          1HE2      GLN  53  16.334  26.081 -11.474
  416    H    ALA  54           HN       ALA  54  18.531  21.309 -10.047
  417    HA   ALA  54           HA       ALA  54  17.852  19.022  -8.327
  418   1HB   ALA  54          2HB       ALA  54  20.045  19.425 -10.149
  419   2HB   ALA  54          3HB       ALA  54  20.678  19.381  -8.487
  420   3HB   ALA  54          1HB       ALA  54  19.706  18.023  -9.105
  421    H    ASN  55           HN       ASN  55  20.121  21.861  -8.553
  422    HA   ASN  55           HA       ASN  55  19.919  22.110  -5.694
  423   1HB   ASN  55          2HB       ASN  55  21.933  22.643  -7.630
  424   2HB   ASN  55          3HB       ASN  55  21.435  24.227  -7.069
  425   1HD2  ASN  55          2HD2      ASN  55  23.774  21.814  -4.826
  426   2HD2  ASN  55          1HD2      ASN  55  23.303  21.508  -6.465
  427   1H5*    G 201          1H5*        G 201  -1.185 -18.129  -4.488
  428   2H5*    G 201          2H5*        G 201   0.276 -17.145  -4.556
  429    H4*    G 201           H4*        G 201  -0.106 -19.115  -2.779
  430    H3*    G 201           H3*        G 201   2.592 -18.445  -4.018
  431   1H2*    G 201          1H2*        G 201   3.459 -19.562  -2.124
  432   2HO*    G 201          2HO*        G 201   2.291 -19.334  -0.286
  433    H1*    G 201           H1*        G 201   1.541 -21.600  -2.154
  434    H8     G 201           H8         G 201   3.411 -19.979  -5.099
  435    H1     G 201           H1         G 201   5.085 -26.077  -3.721
  436   1H2     G 201          1H2         G 201   3.981 -26.747  -2.113
  437   2H2     G 201          2H2         G 201   2.781 -25.798  -1.265
  438   1H5*    G 202          1H5*        G 202   2.533 -17.079  -0.424
  439   2H5*    G 202          2H5*        G 202   3.423 -15.689   0.197
  440    H4*    G 202           H4*        G 202   4.330 -17.586   1.259
  441    H3*    G 202           H3*        G 202   6.114 -16.547  -0.933
  442   1H2*    G 202          1H2*        G 202   7.732 -18.161  -0.392
  443   2HO*    G 202          2HO*        G 202   7.543 -19.179   1.703
  444    H1*    G 202           H1*        G 202   5.888 -20.253   0.008
  445    H8     G 202           H8         G 202   5.615 -17.774  -2.894
  446    H1     G 202           H1         G 202   8.347 -23.457  -4.352
  447   1H2     G 202          1H2         G 202   8.541 -24.588  -2.638
  448   2H2     G 202          2H2         G 202   8.038 -24.073  -1.045
  449   1H5*    A 203          1H5*        A 203   8.770 -16.671   2.500
  450   2H5*    A 203          2H5*        A 203   9.637 -15.136   2.484
  451    H4*    A 203           H4*        A 203  11.239 -16.900   2.499
  452    H3*    A 203           H3*        A 203  11.035 -15.340  -0.039
  453   1H2*    A 203          1H2*        A 203  12.625 -16.686  -1.124
  454   2HO*    A 203          2HO*        A 203  13.890 -18.131   0.283
  455    H1*    A 203           H1*        A 203  11.605 -19.114  -0.042
  456    H8     A 203           H8         A 203   9.342 -16.445  -1.565
  457   1H6     A 203          1H6         A 203   9.419 -19.979  -6.709
  458   2H6     A 203          2H6         A 203   8.724 -18.548  -5.982
  459    H2     A 203           H2         A 203  12.196 -21.780  -3.743
  460   1H5*    C 204          1H5*        C 204  14.852 -15.818   0.968
  461   2H5*    C 204          2H5*        C 204  16.057 -14.578   0.625
  462    H4*    C 204           H4*        C 204  16.639 -16.514  -0.622
  463    H3*    C 204           H3*        C 204  15.405 -14.396  -2.405
  464   1H2*    C 204          1H2*        C 204  16.077 -15.677  -4.237
  465   2HO*    C 204          2HO*        C 204  18.169 -16.141  -3.794
  466    H1*    C 204           H1*        C 204  15.610 -18.191  -3.059
  467   1H4     C 204          1H4         C 204  10.300 -17.329  -6.455
  468   2H4     C 204          2H4         C 204   9.844 -15.973  -5.447
  469    H5     C 204           H5         C 204  11.182 -15.129  -3.694
  470    H6     C 204           H6         C 204  13.308 -15.379  -2.463
  471   1H5*    U 205          1H5*        U 205  19.450 -14.698  -2.729
  472   2H5*    U 205          2H5*        U 205  20.613 -13.494  -3.285
  473    H4*    U 205           H4*        U 205  20.631 -15.116  -4.952
  474    H3*    U 205           H3*        U 205  18.757 -12.904  -5.837
  475   1H2*    U 205          1H2*        U 205  18.762 -13.911  -7.973
  476   2HO*    U 205          2HO*        U 205  20.698 -15.799  -7.078
  477    H1*    U 205           H1*        U 205  18.584 -16.539  -6.939
  478    H3     U 205           H3         U 205  14.514 -16.320  -8.826
  479    H5     U 205           H5         U 205  14.318 -13.386  -5.845
  480    H6     U 205           H6         U 205  16.691 -13.819  -5.401
  481   1H5*    A 206          1H5*        A 206  20.770 -12.972  -8.396
  482   2H5*    A 206          2H5*        A 206  21.954 -11.834  -9.037
  483    H4*    A 206           H4*        A 206  20.613 -12.172 -10.865
  484    H3*    A 206           H3*        A 206  19.411  -9.794  -9.424
  485   1H2*    A 206          1H2*        A 206  17.835  -9.671 -11.084
  486   2HO*    A 206          2HO*        A 206  18.629  -9.819 -13.182
  487    H1*    A 206           H1*        A 206  18.086 -12.372 -12.066
  488    H8     A 206           H8         A 206  17.269 -11.606  -8.431
  489   1H6     A 206          1H6         A 206  11.311 -12.548 -10.032
  490   2H6     A 206          2H6         A 206  12.386 -12.243  -8.685
  491    H2     A 206           H2         A 206  13.784 -12.712 -13.719
  492   1H5*    G 207          1H5*        G 207  20.525  -8.419 -12.891
  493   2H5*    G 207          2H5*        G 207  20.625  -6.678 -13.156
  494    H4*    G 207           H4*        G 207  18.547  -7.613 -14.030
  495    H3*    G 207           H3*        G 207  18.001  -5.864 -11.600
  496   1H2*    G 207          1H2*        G 207  15.864  -5.734 -12.482
  497   2HO*    G 207          2HO*        G 207  16.055  -6.387 -15.018
  498    H1*    G 207           H1*        G 207  16.015  -8.220 -13.934
  499    H8     G 207           H8         G 207  16.739  -7.990 -10.205
  500    H1     G 207           H1         G 207  10.683  -9.708 -11.708
  501   1H2     G 207          1H2         G 207  10.414  -9.571 -13.748
  502   2H2     G 207          2H2         G 207  11.647  -9.066 -14.882
  503   1H5*    C 208          1H5*        C 208  18.695  -1.878 -14.228
  504   2H5*    C 208          2H5*        C 208  18.113  -0.766 -12.988
  505    H4*    C 208           H4*        C 208  16.675  -1.840 -15.136
  506    H3*    C 208           H3*        C 208  16.008  -0.113 -12.787
  507   1H2*    C 208          1H2*        C 208  13.862  -0.860 -12.756
  508   2HO*    C 208          2HO*        C 208  13.281  -0.987 -15.380
  509    H1*    C 208           H1*        C 208  13.958  -2.867 -14.851
  510   1H4     C 208          1H4         C 208  12.069  -6.152  -9.726
  511   2H4     C 208          2H4         C 208  13.643  -5.937  -8.996
  512    H5     C 208           H5         C 208  15.370  -4.638  -9.950
  513    H6     C 208           H6         C 208  16.018  -3.213 -11.860
  514   1H5*    G 209          1H5*        G 209  14.340   3.899 -12.740
  515   2H5*    G 209          2H5*        G 209  14.867   2.279 -12.286
  516    H4*    G 209           H4*        G 209  12.894   1.996 -14.316
  517    H3*    G 209           H3*        G 209  12.227   4.149 -12.348
  518   1H2*    G 209          1H2*        G 209  10.554   2.840 -11.515
  519   2HO*    G 209          2HO*        G 209   8.837   2.851 -13.010
  520    H1*    G 209           H1*        G 209  10.407   0.613 -13.300
  521    H8     G 209           H8         G 209  13.494   1.334 -11.179
  522    H1     G 209           H1         G 209   9.384  -2.989  -8.667
  523   1H2     G 209          1H2         G 209   7.697  -3.103  -9.849
  524   2H2     G 209          2H2         G 209   7.436  -2.167 -11.303
  525   1H5*    G 210          1H5*        G 210  10.699   7.065 -11.943
  526   2H5*    G 210          2H5*        G 210  10.892   5.448 -11.266
  527    H4*    G 210           H4*        G 210   8.839   5.439 -10.355
  528    H3*    G 210           H3*        G 210   7.925   6.377 -12.984
  529   1H2*    G 210          1H2*        G 210   7.012   8.275 -12.029
  530   2HO*    G 210          2HO*        G 210   5.255   6.641 -10.584
  531    H1*    G 210           H1*        G 210   6.611   7.487  -9.270
  532    H8     G 210           H8         G 210   9.697   8.634 -11.257
  533    H1     G 210           H1         G 210   7.616  12.722  -6.693
  534   1H2     G 210          1H2         G 210   5.949  11.934  -5.771
  535   2H2     G 210          2H2         G 210   5.222  10.395  -6.174
  536   1H5*    A 211          1H5*        A 211   7.990   3.044 -11.113
  537   2H5*    A 211          2H5*        A 211   7.650   1.340 -11.414
  538    H4*    A 211           H4*        A 211   6.588   1.680  -9.407
  539    H3*    A 211           H3*        A 211   4.628   1.942 -11.638
  540   1H2*    A 211          1H2*        A 211   3.666   3.560 -10.206
  541   2HO*    A 211          2HO*        A 211   2.291   1.756 -10.467
  542    H1*    A 211           H1*        A 211   4.593   1.852  -7.841
  543    H8     A 211           H8         A 211   4.951   5.535  -8.858
  544   1H6     A 211          1H6         A 211   2.234   6.791  -3.382
  545   2H6     A 211          2H6         A 211   2.959   7.510  -4.802
  546    H2     A 211           H2         A 211   2.393   2.378  -3.874
  547   1H5*    G 212          1H5*        G 212   2.497  -2.047  -8.814
  548   2H5*    G 212          2H5*        G 212   3.715  -0.778  -8.690
  549    H4*    G 212           H4*        G 212   4.386  -3.725  -8.768
  550    H3*    G 212           H3*        G 212   3.490  -2.081  -6.466
  551   1H2*    G 212          1H2*        G 212   5.275  -2.749  -5.076
  552   2HO*    G 212          2HO*        G 212   5.104  -4.930  -5.911
  553    H1*    G 212           H1*        G 212   7.226  -2.418  -7.104
  554    H8     G 212           H8         G 212   4.370  -0.273  -5.689
  555    H1     G 212           H1         G 212  10.309   2.233  -5.105
  556   1H2     G 212          1H2         G 212  11.679   0.970  -5.988
  557   2H2     G 212          2H2         G 212  11.278  -0.543  -6.770
  558   1H5*    G 213          1H5*        G 213   2.596  -6.579  -8.643
  559   2H5*    G 213          2H5*        G 213   4.017  -5.568  -8.901
  560    H4*    G 213           H4*        G 213   1.864  -5.924 -10.988
  561    H3*    G 213           H3*        G 213   3.870  -7.879 -10.214
  562   1H2*    G 213          1H2*        G 213   5.200  -7.851 -12.111
  563   2HO*    G 213          2HO*        G 213   2.944  -6.513 -13.305
  564    H1*    G 213           H1*        G 213   4.977  -5.118 -12.735
  565    H8     G 213           H8         G 213   5.596  -6.668  -9.272
  566    H1     G 213           H1         G 213  10.728  -3.867 -12.048
  567   1H2     G 213          1H2         G 213  10.202  -3.161 -13.913
  568   2H2     G 213          2H2         G 213   8.608  -3.305 -14.620
  569   1H5*    C 214          1H5*        C 214   2.209  -9.028 -13.721
  570   2H5*    C 214          2H5*        C 214   1.786 -10.701 -14.084
  571    H4*    C 214           H4*        C 214   3.420 -10.133 -15.656
  572    H3*    C 214           H3*        C 214   4.651 -11.720 -13.403
  573   1H2*    C 214          1H2*        C 214   6.674 -11.797 -14.621
  574   2HO*    C 214          2HO*        C 214   5.583 -10.398 -16.810
  575    H1*    C 214           H1*        C 214   6.645  -9.104 -15.332
  576   1H4     C 214          1H4         C 214  10.002  -8.901  -9.935
  577   2H4     C 214          2H4         C 214   8.619  -9.455  -9.018
  578    H5     C 214           H5         C 214   6.545 -10.033  -9.985
  579    H6     C 214           H6         C 214   5.272 -10.224 -12.093
  580   1H5*    U 215          1H5*        U 215   5.145 -13.422 -16.762
  581   2H5*    U 215          2H5*        U 215   5.136 -15.133 -17.185
  582    H4*    U 215           H4*        U 215   7.323 -14.281 -17.591
  583    H3*    U 215           H3*        U 215   7.194 -16.020 -15.121
  584   1H2*    U 215          1H2*        U 215   9.438 -15.688 -14.811
  585   2HO*    U 215          2HO*        U 215   9.459 -15.384 -17.677
  586    H1*    U 215           H1*        U 215   9.739 -13.323 -16.433
  587    H3     U 215           H3         U 215  11.515 -11.742 -12.615
  588    H5     U 215           H5         U 215   7.553 -12.570 -11.541
  589    H6     U 215           H6         U 215   7.254 -13.536 -13.775
  590   1H5*    A 216          1H5*        A 216   9.317 -17.697 -17.912
  591   2H5*    A 216          2H5*        A 216   9.589 -19.404 -18.264
  592    H4*    A 216           H4*        A 216  11.605 -18.466 -17.379
  593    H3*    A 216           H3*        A 216  10.185 -20.335 -15.480
  594   1H2*    A 216          1H2*        A 216  11.861 -20.032 -13.928
  595   2HO*    A 216          2HO*        A 216  13.917 -20.093 -14.745
  596    H1*    A 216           H1*        A 216  12.644 -17.416 -14.992
  597    H8     A 216           H8         A 216   9.221 -18.067 -13.504
  598   1H6     A 216          1H6         A 216  11.506 -15.626  -8.233
  599   2H6     A 216          2H6         A 216  10.053 -16.219  -9.008
  600    H2     A 216           H2         A 216  14.840 -16.018 -11.144
  601   1H5*    G 217          1H5*        G 217  13.700 -21.902 -16.263
  602   2H5*    G 217          2H5*        G 217  14.060 -23.612 -16.017
  603    H4*    G 217           H4*        G 217  15.027 -22.482 -14.198
  604    H3*    G 217           H3*        G 217  12.359 -23.560 -13.211
  605   1H2*    G 217          1H2*        G 217  13.282 -23.283 -11.075
  606   2HO*    G 217          2HO*        G 217  15.344 -23.956 -10.988
  607    H1*    G 217           H1*        G 217  14.804 -20.967 -11.893
  608    H8     G 217           H8         G 217  11.047 -21.249 -12.427
  609    H1     G 217           H1         G 217  12.810 -18.084  -7.063
  610   1H2     G 217          1H2         G 217  14.854 -18.218  -6.826
  611   2H2     G 217          2H2         G 217  15.930 -19.061  -7.917
  612   1H5*    U 218          1H5*        U 218  15.347 -26.029 -12.049
  613   2H5*    U 218          2H5*        U 218  15.120 -27.723 -11.615
  614    H4*    U 218           H4*        U 218  15.746 -26.636  -9.631
  615    H3*    U 218           H3*        U 218  12.737 -27.007  -9.646
  616   1H2*    U 218          1H2*        U 218  12.748 -26.360  -7.399
  617   2HO*    U 218          2HO*        U 218  14.447 -27.114  -6.249
  618    H1*    U 218           H1*        U 218  14.901 -24.489  -7.754
  619    H3     U 218           H3         U 218  11.717 -21.674  -6.263
  620    H5     U 218           H5         U 218  10.193 -22.980  -9.938
  621    H6     U 218           H6         U 218  12.091 -24.527 -10.064
  622   1H5*    C 219          1H5*        C 219  14.212 -29.051  -6.815
  623   2H5*    C 219          2H5*        C 219  13.726 -30.664  -6.296
  624    H4*    C 219           H4*        C 219  13.220 -29.408  -4.442
  625    H3*    C 219           H3*        C 219  10.689 -29.428  -6.110
  626   1H2*    C 219          1H2*        C 219   9.599 -28.432  -4.287
  627   2HO*    C 219          2HO*        C 219  10.359 -29.754  -2.667
  628    H1*    C 219           H1*        C 219  11.721 -26.732  -3.580
  629   1H4     C 219          1H4         C 219   8.125 -22.890  -7.155
  630   2H4     C 219          2H4         C 219   8.430 -23.875  -8.568
  631    H5     C 219           H5         C 219   9.686 -25.875  -8.533
  632    H6     C 219           H6         C 219  10.973 -27.437  -7.118
  633   1H5*    C 220          1H5*        C 220  10.418 -31.899  -2.943
  634   2H5*    C 220          2H5*        C 220   9.641 -33.474  -2.787
  635    H4*    C 220           H4*        C 220   8.620 -31.647  -1.422
  636    H3*    C 220           H3*        C 220   7.158 -33.502  -3.142
  637   1H2*    C 220          1H2*        C 220   5.844 -31.764  -3.955
  638   2HO*    C 220          2HO*        C 220   5.079 -32.033  -1.189
  639    H1*    C 220           H1*        C 220   5.939 -29.916  -1.678
  640   1H4     C 220          1H4         C 220   6.784 -25.775  -6.420
  641   2H4     C 220          2H4         C 220   7.790 -26.910  -7.290
  642    H5     C 220           H5         C 220   8.316 -29.074  -6.504
  643    H6     C 220           H6         C 220   8.002 -30.698  -4.670
   
  No H/Q in entry =         643
  Start of MODEL   20
    1    H    MET   1           HN       MET   1   4.812 -15.399   4.673
    2    HA   MET   1           HA       MET   1   5.078 -13.119   6.462
    3   1HB   MET   1          2HB       MET   1   6.920 -13.994   4.179
    4   2HB   MET   1          3HB       MET   1   6.914 -12.342   4.761
    5   1HG   MET   1          2HG       MET   1   7.914 -12.897   6.787
    6   2HG   MET   1          3HG       MET   1   7.148 -14.470   6.863
    7   1HE   MET   1          2HE       MET   1   8.361 -16.009   7.235
    8   2HE   MET   1          3HE       MET   1   9.166 -16.879   5.908
    9   3HE   MET   1          1HE       MET   1  10.137 -16.003   7.116
   10    H    GLN   2           HN       GLN   2   4.764 -14.236   3.022
   11    HA   GLN   2           HA       GLN   2   3.387 -13.609   1.449
   12   1HB   GLN   2          2HB       GLN   2   1.776 -13.163   3.485
   13   2HB   GLN   2          3HB       GLN   2   2.099 -11.471   3.165
   14   1HG   GLN   2          2HG       GLN   2   0.886 -11.466   1.210
   15   2HG   GLN   2          3HG       GLN   2   1.451 -13.055   0.732
   16   1HE2  GLN   2          2HE2      GLN   2  -1.777 -14.226   1.300
   17   2HE2  GLN   2          1HE2      GLN   2  -0.502 -13.874   0.181
   18    H    LYS   3           HN       LYS   3   3.187 -11.871  -0.194
   19    HA   LYS   3           HA       LYS   3   3.921 -10.120  -1.325
   20   1HB   LYS   3          2HB       LYS   3   4.056  -9.115   1.465
   21   2HB   LYS   3          3HB       LYS   3   5.008  -8.230   0.289
   22   1HG   LYS   3          2HG       LYS   3   3.050  -7.858  -1.128
   23   2HG   LYS   3          3HG       LYS   3   2.074  -8.941  -0.156
   24   1HD   LYS   3          2HD       LYS   3   1.443  -7.137   1.069
   25   2HD   LYS   3          3HD       LYS   3   3.071  -7.087   1.715
   26   1HE   LYS   3          2HE       LYS   3   3.489  -5.141   0.628
   27   2HE   LYS   3          3HE       LYS   3   3.113  -5.881  -0.915
   28   1HZ   LYS   3          1HZ       LYS   3   0.730  -5.447  -0.433
   29   2HZ   LYS   3          2HZ       LYS   3   1.132  -4.680   0.945
   30    H    GLY   4           HN       GLY   4   5.467 -12.225  -1.602
   31   1HA   GLY   4          1HA       GLY   4   8.099 -12.106  -0.661
   32   2HA   GLY   4          2HA       GLY   4   7.539 -12.939  -2.097
   33    H    ASN   5           HN       ASN   5   6.415 -10.384  -3.295
   34    HA   ASN   5           HA       ASN   5   8.577  -9.730  -4.833
   35   1HB   ASN   5          2HB       ASN   5   5.894  -9.162  -4.896
   36   2HB   ASN   5          3HB       ASN   5   6.499  -7.600  -4.383
   37   1HD2  ASN   5          2HD2      ASN   5   7.925  -6.668  -7.422
   38   2HD2  ASN   5          1HD2      ASN   5   7.679  -6.337  -5.739
   39    H    PHE   6           HN       PHE   6   7.677  -8.753  -1.601
   40    HA   PHE   6           HA       PHE   6   8.712  -6.179  -1.493
   41   1HB   PHE   6          2HB       PHE   6   7.323  -7.223   0.275
   42   2HB   PHE   6          3HB       PHE   6   8.486  -8.516   0.487
   43    HD1  PHE   6           HD2      PHE   6   7.912  -4.909   1.033
   44    HD2  PHE   6           HD1      PHE   6  10.348  -8.264   1.938
   45    HE1  PHE   6           HE2      PHE   6   9.030  -3.603   2.862
   46    HE2  PHE   6           HE1      PHE   6  11.465  -6.957   3.768
   47    HZ   PHE   6           HZ       PHE   6  10.792  -4.643   4.208
   48    H    ARG   7           HN       ARG   7  10.322  -9.188  -2.010
   49    HA   ARG   7           HA       ARG   7  12.652  -8.768  -0.611
   50   1HB   ARG   7          2HB       ARG   7  13.656 -10.380  -2.261
   51   2HB   ARG   7          3HB       ARG   7  12.114 -10.934  -1.641
   52   1HG   ARG   7          2HG       ARG   7  11.009  -9.910  -3.706
   53   2HG   ARG   7          3HG       ARG   7  12.612  -9.587  -4.335
   54   1HD   ARG   7          2HD       ARG   7  13.161 -12.003  -4.281
   55   2HD   ARG   7          3HD       ARG   7  11.617 -12.365  -3.535
   56    HE   ARG   7           HE       ARG   7  12.074 -11.617  -6.359
   57   1HH1  ARG   7          2HH2      ARG   7   9.701 -12.175  -3.787
   58   2HH1  ARG   7          1HH2      ARG   7   8.380 -12.396  -4.885
   59    HH2  ARG   7           HH1      ARG   7   8.773 -12.234  -7.243
   60    H    ASN   8           HN       ASN   8  11.305  -6.966  -3.184
   61    HA   ASN   8           HA       ASN   8  13.435  -6.391  -4.782
   62   1HB   ASN   8          2HB       ASN   8  12.233  -4.220  -5.237
   63   2HB   ASN   8          3HB       ASN   8  11.152  -5.599  -5.274
   64   1HD2  ASN   8          2HD2      ASN   8  10.099  -2.554  -3.087
   65   2HD2  ASN   8          1HD2      ASN   8  11.013  -2.608  -4.557
   66    H    GLN   9           HN       GLN   9  12.766  -5.543  -1.436
   67    HA   GLN   9           HA       GLN   9  14.160  -3.165  -1.254
   68   1HB   GLN   9          2HB       GLN   9  13.570  -5.354   0.774
   69   2HB   GLN   9          3HB       GLN   9  14.384  -3.868   1.221
   70   1HG   GLN   9          2HG       GLN   9  11.963  -3.371  -0.394
   71   2HG   GLN   9          3HG       GLN   9  11.607  -4.255   1.076
   72   1HE2  GLN   9          2HE2      GLN   9  11.431  -1.273   2.827
   73   2HE2  GLN   9          1HE2      GLN   9  10.700  -2.757   2.316
   74    H    ARG  10           HN       ARG  10  15.288  -6.284  -2.044
   75    HA   ARG  10           HA       ARG  10  17.735  -6.208  -0.684
   76   1HB   ARG  10          2HB       ARG  10  18.340  -8.114  -2.103
   77   2HB   ARG  10          3HB       ARG  10  16.665  -8.292  -1.620
   78   1HG   ARG  10          2HG       ARG  10  15.969  -8.251  -3.780
   79   2HG   ARG  10          3HG       ARG  10  16.784  -6.726  -4.066
   80   1HD   ARG  10          2HD       ARG  10  18.198  -9.436  -4.099
   81   2HD   ARG  10          3HD       ARG  10  17.595  -8.634  -5.537
   82    HE   ARG  10           HE       ARG  10  19.246  -6.892  -5.251
   83   1HH1  ARG  10          2HH2      ARG  10  19.522  -9.467  -2.834
   84   2HH1  ARG  10          1HH2      ARG  10  21.134  -9.033  -2.373
   85    HH2  ARG  10           HH1      ARG  10  22.202  -7.177  -3.451
   86    H    LYS  11           HN       LYS  11  16.523  -4.215  -3.087
   87    HA   LYS  11           HA       LYS  11  19.226  -3.672  -4.092
   88   1HB   LYS  11          2HB       LYS  11  18.075  -4.756  -5.889
   89   2HB   LYS  11          3HB       LYS  11  16.636  -3.787  -5.651
   90   1HG   LYS  11          2HG       LYS  11  17.489  -2.007  -6.814
   91   2HG   LYS  11          3HG       LYS  11  19.064  -2.143  -6.058
   92   1HD   LYS  11          2HD       LYS  11  19.806  -3.800  -7.616
   93   2HD   LYS  11          3HD       LYS  11  18.174  -4.179  -8.132
   94   1HE   LYS  11          2HE       LYS  11  18.144  -2.489  -9.672
   95   2HE   LYS  11          3HE       LYS  11  18.840  -1.333  -8.553
   96   1HZ   LYS  11          1HZ       LYS  11  20.801  -1.616  -9.580
   97   2HZ   LYS  11          2HZ       LYS  11  20.828  -3.204  -9.222
   98    H    THR  12           HN       THR  12  18.164  -2.547  -1.733
   99    HA   THR  12           HA       THR  12  17.354  -0.630  -0.827
  100    HB   THR  12           HB       THR  12  19.892  -0.473  -1.573
  101    HG1  THR  12           HG1      THR  12  19.212   0.905   0.079
  102   1HG2  THR  12          3HG2      THR  12  18.875   0.505  -3.922
  103   2HG2  THR  12          1HG2      THR  12  18.982   2.014  -2.984
  104   3HG2  THR  12          2HG2      THR  12  20.440   1.031  -3.258
  105    H    VAL  13           HN       VAL  13  15.424  -1.409  -2.591
  106    HA   VAL  13           HA       VAL  13  14.731   0.077  -4.696
  107    HB   VAL  13           HB       VAL  13  12.359  -0.154  -3.844
  108   1HG1  VAL  13          3HG1      VAL  13  14.330  -2.262  -4.424
  109   2HG1  VAL  13          1HG1      VAL  13  12.873  -2.841  -3.582
  110   3HG1  VAL  13          2HG1      VAL  13  12.722  -1.968  -5.125
  111   1HG2  VAL  13          1HG2      VAL  13  13.872  -1.148  -1.437
  112   2HG2  VAL  13          2HG2      VAL  13  12.458  -0.071  -1.521
  113   3HG2  VAL  13          3HG2      VAL  13  12.269  -1.813  -1.832
  114    H    LYS  14           HN       LYS  14  13.437   2.033  -5.046
  115    HA   LYS  14           HA       LYS  14  14.027   4.023  -2.972
  116   1HB   LYS  14          2HB       LYS  14  14.141   5.662  -4.704
  117   2HB   LYS  14          3HB       LYS  14  15.145   4.309  -5.185
  118   1HG   LYS  14          2HG       LYS  14  13.688   3.639  -6.886
  119   2HG   LYS  14          3HG       LYS  14  12.268   4.259  -6.069
  120   1HD   LYS  14          2HD       LYS  14  12.476   5.876  -7.722
  121   2HD   LYS  14          3HD       LYS  14  13.459   6.625  -6.478
  122   1HE   LYS  14          2HE       LYS  14  14.706   6.694  -8.572
  123   2HE   LYS  14          3HE       LYS  14  15.509   5.565  -7.499
  124   1HZ   LYS  14          1HZ       LYS  14  14.537   5.013 -10.032
  125   2HZ   LYS  14          2HZ       LYS  14  15.141   3.929  -8.976
  126    H    CYS  15           HN       CYS  15  12.387   5.317  -2.141
  127    HA   CYS  15           HA       CYS  15   9.767   4.245  -2.442
  128   1HB   CYS  15          2HB       CYS  15  10.611   5.040  -0.265
  129   2HB   CYS  15          3HB       CYS  15  10.732   6.671  -0.891
  130    H    PHE  16           HN       PHE  16   8.510   4.757  -4.202
  131    HA   PHE  16           HA       PHE  16   9.115   7.052  -5.779
  132   1HB   PHE  16          2HB       PHE  16   7.035   4.813  -5.683
  133   2HB   PHE  16          3HB       PHE  16   6.816   6.133  -6.815
  134    HD1  PHE  16           HD1      PHE  16   9.598   6.622  -7.690
  135    HD2  PHE  16           HD2      PHE  16   7.535   2.975  -7.016
  136    HE1  PHE  16           HE1      PHE  16  11.106   5.466  -9.331
  137    HE2  PHE  16           HE2      PHE  16   9.043   1.820  -8.657
  138    HZ   PHE  16           HZ       PHE  16  10.809   3.078  -9.795
  139    H    ASN  17           HN       ASN  17   7.816   6.990  -2.807
  140    HA   ASN  17           HA       ASN  17   5.572   8.705  -3.453
  141   1HB   ASN  17          2HB       ASN  17   5.547   6.728  -1.699
  142   2HB   ASN  17          3HB       ASN  17   6.412   7.839  -0.653
  143   1HD2  ASN  17          2HD2      ASN  17   3.221   8.718   0.516
  144   2HD2  ASN  17          1HD2      ASN  17   4.669   7.806   0.787
  145    H    CYS  18           HN       CYS  18   8.387   8.513  -1.133
  146    HA   CYS  18           HA       CYS  18   8.339  11.406  -0.913
  147   1HB   CYS  18          2HB       CYS  18   9.985  11.053   0.918
  148   2HB   CYS  18          3HB       CYS  18   8.458  10.236   1.189
  149    H    GLY  19           HN       GLY  19  10.405   8.621  -1.925
  150   1HA   GLY  19          1HA       GLY  19  11.760   8.819  -3.868
  151   2HA   GLY  19          2HA       GLY  19  12.031  10.512  -3.501
  152    H    LYS  20           HN       LYS  20  12.059   8.044  -0.932
  153    HA   LYS  20           HA       LYS  20  14.960   8.457  -0.724
  154   1HB   LYS  20          2HB       LYS  20  12.798   8.684   1.208
  155   2HB   LYS  20          3HB       LYS  20  14.000   7.523   1.740
  156   1HG   LYS  20          2HG       LYS  20  15.695   9.448   0.891
  157   2HG   LYS  20          3HG       LYS  20  14.309  10.473   1.207
  158   1HD   LYS  20          2HD       LYS  20  14.718  10.396   3.434
  159   2HD   LYS  20          3HD       LYS  20  14.568   8.650   3.428
  160   1HE   LYS  20          2HE       LYS  20  16.926   8.356   2.920
  161   2HE   LYS  20          3HE       LYS  20  17.130  10.061   2.564
  162   1HZ   LYS  20          1HZ       LYS  20  16.842  10.598   4.854
  163   2HZ   LYS  20          2HZ       LYS  20  16.296   9.115   5.249
  164    H    GLU  21           HN       GLU  21  16.315   6.668  -0.510
  165    HA   GLU  21           HA       GLU  21  15.102   4.225  -1.383
  166   1HB   GLU  21          2HB       GLU  21  17.906   5.284  -1.113
  167   2HB   GLU  21          3HB       GLU  21  17.693   3.544  -1.138
  168   1HG   GLU  21          2HG       GLU  21  17.264   3.536  -3.371
  169   2HG   GLU  21          3HG       GLU  21  16.058   4.798  -3.217
  170    HE1  GLU  21           HE2      GLU  21  19.552   4.696  -2.802
  171    H    GLY  22           HN       GLY  22  15.052   2.245  -0.220
  172   1HA   GLY  22          1HA       GLY  22  16.017   1.077   1.752
  173   2HA   GLY  22          2HA       GLY  22  15.636   2.521   2.668
  174    H    HIS  23           HN       HIS  23  13.157   2.620   0.582
  175    HA   HIS  23           HA       HIS  23  11.574   0.433   1.422
  176   1HB   HIS  23          2HB       HIS  23  10.095   1.433   2.936
  177   2HB   HIS  23          3HB       HIS  23  11.692   1.874   3.506
  178    HD1  HIS  23           HD1      HIS  23  12.354   4.380   3.447
  179    HD2  HIS  23           HD2      HIS  23   8.549   3.587   1.871
  180    HE1  HIS  23           HE1      HIS  23  11.203   6.642   3.186
  181    H    ILE  24           HN       ILE  24   9.382   0.537   0.440
  182    HA   ILE  24           HA       ILE  24   9.433   2.347  -1.867
  183    HB   ILE  24           HB       ILE  24   8.139   0.721  -3.034
  184   1HG1  ILE  24          2HG1      ILE  24   8.092  -0.944  -0.500
  185   2HG1  ILE  24          3HG1      ILE  24   6.744   0.003  -1.098
  186   1HG2  ILE  24          2HG2      ILE  24  10.742   0.417  -2.414
  187   2HG2  ILE  24          3HG2      ILE  24  10.100  -1.121  -1.788
  188   3HG2  ILE  24          1HG2      ILE  24   9.850  -0.680  -3.494
  189   1HD1  ILE  24          2HD1      ILE  24   6.898  -1.299  -3.286
  190   2HD1  ILE  24          3HD1      ILE  24   8.093  -2.351  -2.490
  191   3HD1  ILE  24          1HD1      ILE  24   6.427  -2.270  -1.871
  192    H    ALA  25           HN       ALA  25   7.263   3.137  -2.626
  193    HA   ALA  25           HA       ALA  25   5.996   4.589  -0.703
  194   1HB   ALA  25          2HB       ALA  25   5.899   4.626  -3.317
  195   2HB   ALA  25          3HB       ALA  25   4.511   3.532  -3.113
  196   3HB   ALA  25          1HB       ALA  25   4.474   5.159  -2.393
  197    H    LYS  26           HN       LYS  26   5.414   1.211  -1.730
  198    HA   LYS  26           HA       LYS  26   2.944   0.877  -0.483
  199   1HB   LYS  26          2HB       LYS  26   5.091  -1.217  -0.922
  200   2HB   LYS  26          3HB       LYS  26   3.373  -1.496  -0.713
  201   1HG   LYS  26          2HG       LYS  26   4.159   0.401  -2.904
  202   2HG   LYS  26          3HG       LYS  26   4.554  -1.288  -3.157
  203   1HD   LYS  26          2HD       LYS  26   1.853  -1.096  -2.099
  204   2HD   LYS  26          3HD       LYS  26   2.006  -0.014  -3.469
  205   1HE   LYS  26          2HE       LYS  26   2.873  -1.864  -4.875
  206   2HE   LYS  26          3HE       LYS  26   2.835  -2.956  -3.506
  207   1HZ   LYS  26          1HZ       LYS  26   0.457  -2.812  -3.443
  208   2HZ   LYS  26          2HZ       LYS  26   0.403  -1.584  -4.511
  209    H    ASN  27           HN       ASN  27   6.325   0.415   0.716
  210    HA   ASN  27           HA       ASN  27   5.243  -0.148   3.326
  211   1HB   ASN  27          2HB       ASN  27   8.065  -0.155   2.153
  212   2HB   ASN  27          3HB       ASN  27   7.786  -0.365   3.870
  213   1HD2  ASN  27          2HD2      ASN  27   6.521  -3.236   1.151
  214   2HD2  ASN  27          1HD2      ASN  27   6.695  -1.571   0.707
  215    H    CYS  28           HN       CYS  28   5.368   2.581   1.704
  216    HA   CYS  28           HA       CYS  28   7.085   4.159   3.388
  217   1HB   CYS  28          2HB       CYS  28   6.910   4.665   0.986
  218   2HB   CYS  28          3HB       CYS  28   5.195   4.983   1.159
  219    H    ARG  29           HN       ARG  29   6.374   5.467   5.103
  220    HA   ARG  29           HA       ARG  29   3.817   4.835   6.118
  221   1HB   ARG  29          2HB       ARG  29   6.101   5.434   7.355
  222   2HB   ARG  29          3HB       ARG  29   5.542   7.088   7.196
  223   1HG   ARG  29          2HG       ARG  29   3.607   6.700   8.536
  224   2HG   ARG  29          3HG       ARG  29   3.692   4.962   8.324
  225   1HD   ARG  29          2HD       ARG  29   5.065   4.721  10.126
  226   2HD   ARG  29          3HD       ARG  29   6.164   5.956   9.541
  227    HE   ARG  29           HE       ARG  29   3.926   6.342  11.420
  228   1HH1  ARG  29          2HH2      ARG  29   6.269   7.917   9.279
  229   2HH1  ARG  29          1HH2      ARG  29   6.147   9.452  10.070
  230    HH2  ARG  29           HH1      ARG  29   4.669   9.695  11.941
  231    H    ALA  30           HN       ALA  30   5.322   7.508   4.315
  232    HA   ALA  30           HA       ALA  30   3.491   9.524   4.871
  233   1HB   ALA  30          2HB       ALA  30   5.785   9.491   3.595
  234   2HB   ALA  30          3HB       ALA  30   4.777   9.170   2.163
  235   3HB   ALA  30          1HB       ALA  30   4.531  10.658   3.109
  236    HA   PRO  31           HA       PRO  31  -0.038   8.332   2.676
  237   1HB   PRO  31          2HB       PRO  31  -1.172  10.740   2.056
  238   2HB   PRO  31          3HB       PRO  31  -1.302   9.999   3.638
  239   1HG   PRO  31          2HG       PRO  31   0.376  12.280   2.792
  240   2HG   PRO  31          3HG       PRO  31  -0.089  11.802   4.412
  241   1HD   PRO  31          2HD       PRO  31   2.460  11.387   3.166
  242   2HD   PRO  31          3HD       PRO  31   1.957  10.806   4.741
  243    H    ARG  32           HN       ARG  32  -1.111   8.036   0.652
  244    HA   ARG  32           HA       ARG  32   0.683   7.881  -1.391
  245   1HB   ARG  32          2HB       ARG  32  -1.980   7.148  -0.961
  246   2HB   ARG  32          3HB       ARG  32  -2.124   8.305  -2.270
  247   1HG   ARG  32          2HG       ARG  32  -1.754   6.333  -3.472
  248   2HG   ARG  32          3HG       ARG  32  -0.119   6.950  -3.347
  249   1HD   ARG  32          2HD       ARG  32  -1.092   5.178  -1.112
  250   2HD   ARG  32          3HD       ARG  32  -0.756   4.413  -2.652
  251    HE   ARG  32           HE       ARG  32   1.557   5.102  -2.484
  252   1HH1  ARG  32          2HH2      ARG  32  -0.361   5.968   0.366
  253   2HH1  ARG  32          1HH2      ARG  32   1.024   6.219   1.375
  254    HH2  ARG  32           HH1      ARG  32   3.217   5.900   0.461
  255    H    LYS  33           HN       LYS  33   1.815   9.701  -2.095
  256    HA   LYS  33           HA       LYS  33   0.156  11.950  -2.998
  257   1HB   LYS  33          2HB       LYS  33   1.832  13.502  -2.260
  258   2HB   LYS  33          3HB       LYS  33   1.371  12.492  -0.905
  259   1HG   LYS  33          2HG       LYS  33   3.395  11.245  -0.972
  260   2HG   LYS  33          3HG       LYS  33   3.734  11.695  -2.631
  261   1HD   LYS  33          2HD       LYS  33   4.892  13.533  -1.970
  262   2HD   LYS  33          3HD       LYS  33   3.546  14.101  -1.003
  263   1HE   LYS  33          2HE       LYS  33   4.501  13.379   0.937
  264   2HE   LYS  33          3HE       LYS  33   4.856  11.799   0.267
  265   1HZ   LYS  33          1HZ       LYS  33   6.502  14.245  -0.080
  266   2HZ   LYS  33          2HZ       LYS  33   6.920  12.905   0.746
  267    H    LYS  34           HN       LYS  34   1.781  13.397  -4.513
  268    HA   LYS  34           HA       LYS  34   3.366  11.619  -6.169
  269   1HB   LYS  34          2HB       LYS  34   0.827  12.967  -7.087
  270   2HB   LYS  34          3HB       LYS  34   2.115  12.594  -8.213
  271   1HG   LYS  34          2HG       LYS  34   2.045  10.180  -7.249
  272   2HG   LYS  34          3HG       LYS  34   0.537  10.645  -6.486
  273   1HD   LYS  34          2HD       LYS  34  -0.613  10.808  -8.510
  274   2HD   LYS  34          3HD       LYS  34   0.818  11.259  -9.415
  275   1HE   LYS  34          2HE       LYS  34   1.254   8.605  -8.374
  276   2HE   LYS  34          3HE       LYS  34  -0.342   8.632  -9.096
  277   1HZ   LYS  34          1HZ       LYS  34   0.960   9.871 -11.009
  278   2HZ   LYS  34          2HZ       LYS  34   2.245   9.081 -10.395
  279    H    GLY  35           HN       GLY  35   4.488  13.384  -4.489
  280   1HA   GLY  35          1HA       GLY  35   4.824  15.928  -5.904
  281   2HA   GLY  35          2HA       GLY  35   5.358  15.535  -4.282
  282    H    CYS  36           HN       CYS  36   6.521  16.264  -7.263
  283    HA   CYS  36           HA       CYS  36   8.371  14.260  -7.800
  284   1HB   CYS  36          2HB       CYS  36   7.806  15.912  -9.472
  285   2HB   CYS  36          3HB       CYS  36   8.395  17.220  -8.465
  286    H    TRP  37           HN       TRP  37  10.113  13.618  -6.582
  287    HA   TRP  37           HA       TRP  37  10.964  15.320  -4.402
  288   1HB   TRP  37          2HB       TRP  37  12.535  12.947  -4.663
  289   2HB   TRP  37          3HB       TRP  37  11.413  13.410  -3.398
  290    HD1  TRP  37           HD1      TRP  37   8.773  12.566  -3.780
  291    HE1  TRP  37           HE1      TRP  37   7.734  10.462  -4.989
  292    HE3  TRP  37           HE3      TRP  37  12.890  11.469  -6.555
  293    HZ2  TRP  37           HZ2      TRP  37   8.728   8.619  -6.927
  294    HZ3  TRP  37           HZ3      TRP  37  12.772   9.501  -8.080
  295    HH2  TRP  37           HH2      TRP  37  10.783   8.096  -8.292
  296    H    LYS  38           HN       LYS  38  11.373  16.274  -7.158
  297    HA   LYS  38           HA       LYS  38  14.307  16.316  -7.131
  298   1HB   LYS  38          2HB       LYS  38  12.870  15.011  -9.051
  299   2HB   LYS  38          3HB       LYS  38  12.995  16.605  -9.766
  300   1HG   LYS  38          2HG       LYS  38  15.574  16.083  -8.702
  301   2HG   LYS  38          3HG       LYS  38  15.070  14.565  -9.421
  302   1HD   LYS  38          2HD       LYS  38  14.283  16.290 -11.397
  303   2HD   LYS  38          3HD       LYS  38  15.628  17.199 -10.735
  304   1HE   LYS  38          2HE       LYS  38  15.972  14.247 -11.343
  305   2HE   LYS  38          3HE       LYS  38  16.058  15.415 -12.647
  306   1HZ   LYS  38          1HZ       LYS  38  18.213  14.843 -11.385
  307   2HZ   LYS  38          2HZ       LYS  38  17.936  16.416 -11.699
  308    H    CYS  39           HN       CYS  39  11.235  17.928  -8.152
  309    HA   CYS  39           HA       CYS  39  12.682  20.465  -7.962
  310   1HB   CYS  39          2HB       CYS  39  10.757  21.386  -9.303
  311   2HB   CYS  39          3HB       CYS  39  11.780  20.244 -10.152
  312    H    GLY  40           HN       GLY  40   9.963  18.452  -6.841
  313   1HA   GLY  40          1HA       GLY  40   9.053  18.629  -4.707
  314   2HA   GLY  40          2HA       GLY  40   9.557  20.305  -4.610
  315    H    LYS  41           HN       LYS  41   8.068  19.187  -7.610
  316    HA   LYS  41           HA       LYS  41   5.764  20.865  -6.986
  317   1HB   LYS  41          2HB       LYS  41   7.408  20.654  -9.227
  318   2HB   LYS  41          3HB       LYS  41   5.946  19.818  -9.708
  319   1HG   LYS  41          2HG       LYS  41   4.983  22.088  -8.357
  320   2HG   LYS  41          3HG       LYS  41   6.382  22.695  -9.220
  321   1HD   LYS  41          2HD       LYS  41   5.264  21.191 -11.205
  322   2HD   LYS  41          3HD       LYS  41   3.814  21.581 -10.301
  323   1HE   LYS  41          2HE       LYS  41   5.661  23.884 -10.745
  324   2HE   LYS  41          3HE       LYS  41   4.949  23.225 -12.205
  325   1HZ   LYS  41          1HZ       LYS  41   3.646  25.002 -10.862
  326   2HZ   LYS  41          2HZ       LYS  41   2.813  23.740 -11.468
  327    H    GLU  42           HN       GLU  42   3.764  20.038  -6.601
  328    HA   GLU  42           HA       GLU  42   3.582  17.169  -6.613
  329   1HB   GLU  42          2HB       GLU  42   1.517  17.511  -5.322
  330   2HB   GLU  42          3HB       GLU  42   2.825  18.448  -4.629
  331   1HG   GLU  42          2HG       GLU  42   1.684  20.182  -6.541
  332   2HG   GLU  42          3HG       GLU  42   0.303  19.374  -5.827
  333    HE2  GLU  42           HE2      GLU  42  -0.356  20.896  -4.146
  334    H    GLY  43           HN       GLY  43   2.773  16.068  -8.341
  335   1HA   GLY  43          1HA       GLY  43   0.483  16.124  -9.575
  336   2HA   GLY  43          2HA       GLY  43   1.181  17.556 -10.306
  337    H    HIS  44           HN       HIS  44   3.857  16.929 -10.676
  338    HA   HIS  44           HA       HIS  44   3.618  14.740 -12.589
  339   1HB   HIS  44          2HB       HIS  44   5.333  15.759 -13.835
  340   2HB   HIS  44          3HB       HIS  44   4.265  17.058 -13.343
  341    HD1  HIS  44           HD1      HIS  44   5.219  18.892 -11.810
  342    HD2  HIS  44           HD2      HIS  44   7.889  15.733 -12.512
  343    HE1  HIS  44           HE1      HIS  44   7.485  19.659 -10.920
  344    H    GLN  45           HN       GLN  45   6.162  13.873 -12.950
  345    HA   GLN  45           HA       GLN  45   7.137  13.248 -10.286
  346   1HB   GLN  45          2HB       GLN  45   7.287  10.886 -10.764
  347   2HB   GLN  45          3HB       GLN  45   5.645  11.387 -11.117
  348   1HG   GLN  45          2HG       GLN  45   6.847  11.815 -13.564
  349   2HG   GLN  45          3HG       GLN  45   7.786  10.458 -12.976
  350   1HE2  GLN  45          2HE2      GLN  45   5.409   8.223 -14.112
  351   2HE2  GLN  45          1HE2      GLN  45   7.057   8.751 -14.010
  352    H    MET  46           HN       MET  46   9.423  12.387 -10.322
  353    HA   MET  46           HA       MET  46  11.052  14.011 -11.764
  354   1HB   MET  46          2HB       MET  46  11.709  12.692  -9.737
  355   2HB   MET  46          3HB       MET  46  11.594  11.201 -10.653
  356   1HG   MET  46          2HG       MET  46  13.353  13.201 -11.949
  357   2HG   MET  46          3HG       MET  46  13.904  12.754 -10.347
  358   1HE   MET  46          1HE       MET  46  14.188  10.720  -9.471
  359   2HE   MET  46          2HE       MET  46  14.209   9.122 -10.255
  360   3HE   MET  46          3HE       MET  46  15.637  10.179 -10.353
  361    H    LYS  47           HN       LYS  47   9.876  10.703 -12.562
  362    HA   LYS  47           HA       LYS  47  11.530  10.190 -14.711
  363   1HB   LYS  47          2HB       LYS  47   9.552   8.857 -13.424
  364   2HB   LYS  47          3HB       LYS  47   8.708   9.283 -14.899
  365   1HG   LYS  47          2HG       LYS  47  11.438   8.345 -15.461
  366   2HG   LYS  47          3HG       LYS  47  10.527   7.152 -14.557
  367   1HD   LYS  47          2HD       LYS  47   9.344   8.525 -17.004
  368   2HD   LYS  47          3HD       LYS  47  10.354   7.101 -17.158
  369   1HE   LYS  47          2HE       LYS  47   8.745   6.021 -15.385
  370   2HE   LYS  47          3HE       LYS  47   7.664   7.348 -15.762
  371   1HZ   LYS  47          1HZ       LYS  47   7.793   5.055 -17.179
  372   2HZ   LYS  47          2HZ       LYS  47   7.188   6.446 -17.772
  373    H    ASP  48           HN       ASP  48   8.680  12.305 -14.406
  374    HA   ASP  48           HA       ASP  48   9.136  13.039 -17.192
  375   1HB   ASP  48          2HB       ASP  48   6.591  12.631 -15.619
  376   2HB   ASP  48          3HB       ASP  48   6.597  13.867 -16.862
  377    HD2  ASP  48           HD2      ASP  48   4.909  11.859 -17.361
  378    H    CYS  49           HN       CYS  49  10.547  14.179 -14.964
  379    HA   CYS  49           HA       CYS  49   9.329  16.325 -13.747
  380   1HB   CYS  49          2HB       CYS  49  11.556  15.348 -13.150
  381   2HB   CYS  49          3HB       CYS  49  12.248  16.127 -14.559
  382    H    THR  50           HN       THR  50   8.287  18.007 -14.762
  383    HA   THR  50           HA       THR  50   8.894  18.669 -17.481
  384    HB   THR  50           HB       THR  50   6.591  18.693 -16.419
  385    HG1  THR  50           HG1      THR  50   6.145  20.730 -17.517
  386   1HG2  THR  50          2HG2      THR  50   7.632  19.975 -14.286
  387   2HG2  THR  50          3HG2      THR  50   7.280  21.405 -15.284
  388   3HG2  THR  50          1HG2      THR  50   5.967  20.295 -14.825
  389    H    GLU  51           HN       GLU  51  10.574  19.269 -14.680
  390    HA   GLU  51           HA       GLU  51  11.780  21.568 -15.941
  391   1HB   GLU  51          2HB       GLU  51   9.997  22.190 -14.078
  392   2HB   GLU  51          3HB       GLU  51  11.262  21.709 -12.964
  393   1HG   GLU  51          2HG       GLU  51  11.391  24.135 -13.410
  394   2HG   GLU  51          3HG       GLU  51  12.831  23.331 -14.004
  395    HE2  GLU  51           HE2      GLU  51  12.331  24.760 -17.061
  396    H    ARG  52           HN       ARG  52  13.022  19.296 -16.241
  397    HA   ARG  52           HA       ARG  52  14.302  17.987 -14.357
  398   1HB   ARG  52          2HB       ARG  52  15.410  19.029 -17.005
  399   2HB   ARG  52          3HB       ARG  52  16.303  17.890 -16.016
  400   1HG   ARG  52          2HG       ARG  52  14.528  16.225 -16.184
  401   2HG   ARG  52          3HG       ARG  52  13.437  17.377 -16.928
  402   1HD   ARG  52          2HD       ARG  52  14.569  17.334 -18.997
  403   2HD   ARG  52          3HD       ARG  52  16.090  16.844 -18.278
  404    HE   ARG  52           HE       ARG  52  14.497  14.677 -17.740
  405   1HH1  ARG  52          2HH2      ARG  52  15.113  16.475 -20.729
  406   2HH1  ARG  52          1HH2      ARG  52  14.847  15.105 -21.755
  407    HH2  ARG  52           HH1      ARG  52  14.279  12.995 -20.770
  408    H    GLN  53           HN       GLN  53  15.580  21.054 -15.858
  409    HA   GLN  53           HA       GLN  53  16.551  21.908 -13.343
  410   1HB   GLN  53          2HB       GLN  53  18.935  21.936 -13.846
  411   2HB   GLN  53          3HB       GLN  53  18.346  20.292 -14.000
  412   1HG   GLN  53          2HG       GLN  53  17.956  21.170 -16.569
  413   2HG   GLN  53          3HG       GLN  53  19.325  22.167 -16.118
  414   1HE2  GLN  53          2HE2      GLN  53  19.640  18.091 -16.599
  415   2HE2  GLN  53          1HE2      GLN  53  18.118  18.915 -16.534
  416    H    ALA  54           HN       ALA  54  17.538  24.137 -13.507
  417    HA   ALA  54           HA       ALA  54  16.031  25.765 -15.156
  418   1HB   ALA  54          2HB       ALA  54  18.307  26.010 -13.285
  419   2HB   ALA  54          3HB       ALA  54  18.240  27.283 -14.527
  420   3HB   ALA  54          1HB       ALA  54  16.848  27.016 -13.450
  421    H    ASN  55           HN       ASN  55  16.033  25.600 -17.358
  422    HA   ASN  55           HA       ASN  55  17.848  24.573 -18.961
  423   1HB   ASN  55          2HB       ASN  55  15.571  26.022 -19.361
  424   2HB   ASN  55          3HB       ASN  55  16.737  27.217 -19.892
  425   1HD2  ASN  55          2HD2      ASN  55  15.849  25.424 -22.925
  426   2HD2  ASN  55          1HD2      ASN  55  15.187  26.558 -21.795
  427   1H5*    G 201          1H5*        G 201   0.556 -17.114  -7.644
  428   2H5*    G 201          2H5*        G 201   0.673 -15.726  -6.563
  429    H4*    G 201           H4*        G 201  -0.029 -17.359  -5.119
  430    H3*    G 201           H3*        G 201   2.978 -17.296  -5.014
  431   1H2*    G 201          1H2*        G 201   2.965 -18.991  -3.372
  432   2HO*    G 201          2HO*        G 201   0.111 -18.597  -3.421
  433    H1*    G 201           H1*        G 201   1.120 -20.618  -4.648
  434    H8     G 201           H8         G 201   3.748 -18.540  -6.521
  435    H1     G 201           H1         G 201   5.097 -24.838  -5.888
  436   1H2     G 201          1H2         G 201   3.621 -25.751  -4.775
  437   2H2     G 201          2H2         G 201   2.226 -24.931  -4.110
  438   1H5*    G 202          1H5*        G 202   2.261 -17.333  -1.060
  439   2H5*    G 202          2H5*        G 202   2.845 -15.830  -0.348
  440    H4*    G 202           H4*        G 202   3.869 -17.419   0.965
  441    H3*    G 202           H3*        G 202   5.747 -16.506  -1.173
  442   1H2*    G 202          1H2*        G 202   7.402 -18.050  -0.515
  443   2HO*    G 202          2HO*        G 202   6.852 -17.584   1.738
  444    H1*    G 202           H1*        G 202   5.602 -20.200  -0.238
  445    H8     G 202           H8         G 202   5.504 -17.692  -3.132
  446    H1     G 202           H1         G 202   8.329 -23.361  -4.462
  447   1H2     G 202          1H2         G 202   8.401 -24.512  -2.752
  448   2H2     G 202          2H2         G 202   7.786 -24.016  -1.191
  449   1H5*    A 203          1H5*        A 203   8.260 -16.209   2.093
  450   2H5*    A 203          2H5*        A 203   9.196 -14.716   2.033
  451    H4*    A 203           H4*        A 203  10.667 -16.624   1.920
  452    H3*    A 203           H3*        A 203  10.476 -14.989  -0.607
  453   1H2*    A 203          1H2*        A 203  12.183 -16.291  -1.555
  454   2HO*    A 203          2HO*        A 203  12.491 -17.321   1.118
  455    H1*    A 203           H1*        A 203  11.253 -18.737  -0.474
  456    H8     A 203           H8         A 203   8.904 -16.186  -2.077
  457   1H6     A 203          1H6         A 203   9.220 -19.797  -7.159
  458   2H6     A 203          2H6         A 203   8.457 -18.381  -6.471
  459    H2     A 203           H2         A 203  11.996 -21.446  -4.106
  460   1H5*    C 204          1H5*        C 204  14.359 -15.300   0.605
  461   2H5*    C 204          2H5*        C 204  15.440 -13.957   0.231
  462    H4*    C 204           H4*        C 204  16.278 -15.903  -0.854
  463    H3*    C 204           H3*        C 204  14.985 -13.961  -2.774
  464   1H2*    C 204          1H2*        C 204  15.732 -15.284  -4.554
  465   2HO*    C 204          2HO*        C 204  17.320 -17.094  -3.524
  466    H1*    C 204           H1*        C 204  15.279 -17.760  -3.275
  467   1H4     C 204          1H4         C 204  10.108 -17.186  -6.936
  468   2H4     C 204          2H4         C 204   9.571 -15.806  -6.005
  469    H5     C 204           H5         C 204  10.808 -14.854  -4.232
  470    H6     C 204           H6         C 204  12.885 -14.993  -2.904
  471   1H5*    U 205          1H5*        U 205  19.113 -14.071  -2.677
  472   2H5*    U 205          2H5*        U 205  20.309 -12.817  -3.007
  473    H4*    U 205           H4*        U 205  20.743 -14.349  -4.668
  474    H3*    U 205           H3*        U 205  18.909 -12.237  -5.758
  475   1H2*    U 205          1H2*        U 205  18.857 -13.300  -7.854
  476   2HO*    U 205          2HO*        U 205  20.486 -15.280  -7.822
  477    H1*    U 205           H1*        U 205  18.720 -15.915  -6.667
  478    H3     U 205           H3         U 205  14.825 -16.029  -8.908
  479    H5     U 205           H5         U 205  14.268 -12.866  -6.218
  480    H6     U 205           H6         U 205  16.608 -13.157  -5.544
  481   1H5*    A 206          1H5*        A 206  20.979 -12.376  -8.276
  482   2H5*    A 206          2H5*        A 206  21.945 -11.147  -9.093
  483    H4*    A 206           H4*        A 206  20.368 -11.698 -10.686
  484    H3*    A 206           H3*        A 206  19.147  -9.348  -9.194
  485   1H2*    A 206          1H2*        A 206  17.583  -9.283 -10.896
  486   2HO*    A 206          2HO*        A 206  18.545 -10.534 -12.946
  487    H1*    A 206           H1*        A 206  17.828 -12.077 -11.594
  488    H8     A 206           H8         A 206  16.993 -10.915  -8.070
  489   1H6     A 206          1H6         A 206  11.042 -12.027  -9.590
  490   2H6     A 206          2H6         A 206  12.110 -11.575  -8.280
  491    H2     A 206           H2         A 206  13.535 -12.599 -13.223
  492   1H5*    G 207          1H5*        G 207  20.271  -8.215 -12.722
  493   2H5*    G 207          2H5*        G 207  20.429  -6.550 -13.283
  494    H4*    G 207           H4*        G 207  18.379  -7.345 -14.130
  495    H3*    G 207           H3*        G 207  17.682  -5.737 -11.643
  496   1H2*    G 207          1H2*        G 207  15.567  -5.582 -12.628
  497   2HO*    G 207          2HO*        G 207  16.641  -4.862 -14.606
  498    H1*    G 207           H1*        G 207  15.751  -8.149 -13.896
  499    H8     G 207           H8         G 207  16.486  -7.650 -10.192
  500    H1     G 207           H1         G 207  10.464  -9.593 -11.547
  501   1H2     G 207          1H2         G 207  10.189  -9.610 -13.590
  502   2H2     G 207          2H2         G 207  11.409  -9.165 -14.763
  503   1H5*    C 208          1H5*        C 208  18.176  -2.297 -14.692
  504   2H5*    C 208          2H5*        C 208  17.771  -0.790 -13.871
  505    H4*    C 208           H4*        C 208  16.064  -2.044 -15.464
  506    H3*    C 208           H3*        C 208  15.501  -0.437 -12.987
  507   1H2*    C 208          1H2*        C 208  13.323  -1.126 -12.969
  508   2HO*    C 208          2HO*        C 208  13.131   0.027 -14.978
  509    H1*    C 208           H1*        C 208  13.571  -3.405 -14.731
  510   1H4     C 208          1H4         C 208  11.970  -6.031  -9.153
  511   2H4     C 208          2H4         C 208  13.517  -5.572  -8.479
  512    H5     C 208           H5         C 208  15.129  -4.291  -9.635
  513    H6     C 208           H6         C 208  15.659  -3.123 -11.745
  514   1H5*    G 209          1H5*        G 209  12.786   3.946 -15.551
  515   2H5*    G 209          2H5*        G 209  13.686   3.955 -14.034
  516    H4*    G 209           H4*        G 209  11.283   2.431 -14.816
  517    H3*    G 209           H3*        G 209  12.275   3.018 -12.014
  518   1H2*    G 209          1H2*        G 209  10.004   2.573 -11.543
  519   2HO*    G 209          2HO*        G 209   9.283   2.642 -14.268
  520    H1*    G 209           H1*        G 209   9.714   0.583 -13.456
  521    H8     G 209           H8         G 209  12.958   1.055 -11.470
  522    H1     G 209           H1         G 209   9.058  -3.654  -9.352
  523   1H2     G 209          1H2         G 209   7.324  -3.666 -10.467
  524   2H2     G 209          2H2         G 209   6.978  -2.564 -11.781
  525   1H5*    G 210          1H5*        G 210   9.355   5.196 -12.676
  526   2H5*    G 210          2H5*        G 210   9.296   6.955 -12.783
  527    H4*    G 210           H4*        G 210   8.098   5.156 -10.689
  528    H3*    G 210           H3*        G 210   7.021   6.772 -12.874
  529   1H2*    G 210          1H2*        G 210   6.230   8.434 -11.520
  530   2HO*    G 210          2HO*        G 210   4.459   7.496 -10.146
  531    H1*    G 210           H1*        G 210   6.510   7.357  -8.868
  532    H8     G 210           H8         G 210   9.435   8.295 -11.139
  533    H1     G 210           H1         G 210   7.853  12.737  -6.707
  534   1H2     G 210          1H2         G 210   6.157  12.132  -5.700
  535   2H2     G 210          2H2         G 210   5.292  10.644  -6.012
  536   1H5*    A 211          1H5*        A 211   7.663   3.312 -11.324
  537   2H5*    A 211          2H5*        A 211   7.507   1.601 -11.720
  538    H4*    A 211           H4*        A 211   6.630   1.629  -9.611
  539    H3*    A 211           H3*        A 211   4.489   1.727 -11.616
  540   1H2*    A 211          1H2*        A 211   3.540   3.428 -10.253
  541   2HO*    A 211          2HO*        A 211   2.960   0.888  -9.024
  542    H1*    A 211           H1*        A 211   4.500   1.891  -7.795
  543    H8     A 211           H8         A 211   4.940   5.467  -9.111
  544   1H6     A 211          1H6         A 211   2.300   7.232  -3.739
  545   2H6     A 211          2H6         A 211   3.031   7.815  -5.217
  546    H2     A 211           H2         A 211   2.344   2.791  -3.872
  547   1H5*    G 212          1H5*        G 212   3.063  -3.207  -9.093
  548   2H5*    G 212          2H5*        G 212   3.684  -1.696  -8.430
  549    H4*    G 212           H4*        G 212   5.376  -4.127  -9.049
  550    H3*    G 212           H3*        G 212   3.728  -3.602  -6.719
  551   1H2*    G 212          1H2*        G 212   5.341  -3.029  -5.215
  552   2HO*    G 212          2HO*        G 212   7.126  -4.755  -6.652
  553    H1*    G 212           H1*        G 212   7.503  -2.684  -7.188
  554    H8     G 212           H8         G 212   4.411  -0.651  -6.138
  555    H1     G 212           H1         G 212  10.135   2.126  -4.950
  556   1H2     G 212          1H2         G 212  11.651   0.866  -5.556
  557   2H2     G 212          2H2         G 212  11.407  -0.709  -6.279
  558   1H5*    G 213          1H5*        G 213   2.180  -4.913  -8.618
  559   2H5*    G 213          2H5*        G 213   1.100  -6.254  -8.997
  560    H4*    G 213           H4*        G 213   2.133  -5.568 -11.022
  561    H3*    G 213           H3*        G 213   3.383  -8.135  -9.999
  562   1H2*    G 213          1H2*        G 213   4.604  -8.200 -11.937
  563   2HO*    G 213          2HO*        G 213   3.455  -7.746 -13.848
  564    H1*    G 213           H1*        G 213   4.672  -5.550 -12.722
  565    H8     G 213           H8         G 213   4.988  -6.601  -9.048
  566    H1     G 213           H1         G 213  10.550  -5.152 -12.022
  567   1H2     G 213          1H2         G 213  10.179  -4.725 -14.005
  568   2H2     G 213          2H2         G 213   8.598  -4.756 -14.751
  569   1H5*    C 214          1H5*        C 214   1.763  -9.631 -13.929
  570   2H5*    C 214          2H5*        C 214   2.053 -11.353 -13.685
  571    H4*    C 214           H4*        C 214   3.533 -10.135 -15.359
  572    H3*    C 214           H3*        C 214   4.793 -11.753 -13.119
  573   1H2*    C 214          1H2*        C 214   6.780 -11.668 -14.390
  574   2HO*    C 214          2HO*        C 214   5.153 -10.511 -16.461
  575    H1*    C 214           H1*        C 214   6.573  -8.995 -15.075
  576   1H4     C 214          1H4         C 214   9.787  -8.551  -9.607
  577   2H4     C 214          2H4         C 214   8.433  -9.212  -8.720
  578    H5     C 214           H5         C 214   6.426  -9.941  -9.731
  579    H6     C 214           H6         C 214   5.214 -10.217 -11.864
  580   1H5*    U 215          1H5*        U 215   5.222 -13.574 -16.504
  581   2H5*    U 215          2H5*        U 215   5.443 -15.298 -16.801
  582    H4*    U 215           H4*        U 215   7.442 -13.689 -17.108
  583    H3*    U 215           H3*        U 215   7.496 -16.381 -15.800
  584   1H2*    U 215          1H2*        U 215   9.340 -15.666 -14.634
  585   2HO*    U 215          2HO*        U 215  10.747 -15.108 -16.961
  586    H1*    U 215           H1*        U 215  10.135 -13.326 -16.197
  587    H3     U 215           H3         U 215  11.256 -11.473 -12.285
  588    H5     U 215           H5         U 215   7.335 -12.760 -11.575
  589    H6     U 215           H6         U 215   7.349 -13.726 -13.829
  590   1H5*    A 216          1H5*        A 216  10.889 -17.561 -18.661
  591   2H5*    A 216          2H5*        A 216  10.660 -19.291 -18.405
  592    H4*    A 216           H4*        A 216  12.760 -18.199 -17.438
  593    H3*    A 216           H3*        A 216  10.952 -19.904 -15.694
  594   1H2*    A 216          1H2*        A 216  12.605 -19.806 -14.082
  595   2HO*    A 216          2HO*        A 216  14.709 -19.995 -14.814
  596    H1*    A 216           H1*        A 216  13.724 -17.298 -14.955
  597    H8     A 216           H8         A 216  10.033 -17.698 -14.126
  598   1H6     A 216          1H6         A 216  11.488 -15.336  -8.536
  599   2H6     A 216          2H6         A 216  10.163 -15.855  -9.554
  600    H2     A 216           H2         A 216  15.254 -15.930 -10.817
  601   1H5*    G 217          1H5*        G 217  14.284 -21.832 -16.356
  602   2H5*    G 217          2H5*        G 217  14.539 -23.545 -16.028
  603    H4*    G 217           H4*        G 217  15.500 -22.345 -14.230
  604    H3*    G 217           H3*        G 217  12.791 -23.322 -13.247
  605   1H2*    G 217          1H2*        G 217  13.766 -23.101 -11.124
  606   2HO*    G 217          2HO*        G 217  16.314 -22.718 -11.480
  607    H1*    G 217           H1*        G 217  15.323 -20.828 -11.851
  608    H8     G 217           H8         G 217  11.614 -21.136 -12.699
  609    H1     G 217           H1         G 217  12.942 -17.748  -7.346
  610   1H2     G 217          1H2         G 217  14.963 -17.847  -6.953
  611   2H2     G 217          2H2         G 217  16.126 -18.717  -7.927
  612   1H5*    U 218          1H5*        U 218  15.656 -25.619 -11.749
  613   2H5*    U 218          2H5*        U 218  15.362 -27.300 -11.305
  614    H4*    U 218           H4*        U 218  15.979 -26.221  -9.316
  615    H3*    U 218           H3*        U 218  12.968 -26.518  -9.423
  616   1H2*    U 218          1H2*        U 218  12.875 -25.744  -7.223
  617   2HO*    U 218          2HO*        U 218  15.723 -26.115  -7.132
  618    H1*    U 218           H1*        U 218  15.035 -23.910  -7.492
  619    H3     U 218           H3         U 218  11.773 -20.923  -6.717
  620    H5     U 218           H5         U 218  10.585 -22.684 -10.326
  621    H6     U 218           H6         U 218  12.480 -24.222 -10.085
  622   1H5*    C 219          1H5*        C 219  14.265 -28.613  -6.517
  623   2H5*    C 219          2H5*        C 219  13.815 -30.257  -6.067
  624    H4*    C 219           H4*        C 219  13.118 -29.081  -4.228
  625    H3*    C 219           H3*        C 219  10.765 -29.270  -6.100
  626   1H2*    C 219          1H2*        C 219   9.453 -28.070  -4.598
  627   2HO*    C 219          2HO*        C 219  11.560 -28.656  -2.722
  628    H1*    C 219           H1*        C 219  11.563 -26.402  -3.646
  629   1H4     C 219          1H4         C 219   8.348 -22.474  -7.483
  630   2H4     C 219          2H4         C 219   8.749 -23.461  -8.871
  631    H5     C 219           H5         C 219   9.951 -25.489  -8.739
  632    H6     C 219           H6         C 219  11.077 -27.085  -7.227
  633   1H5*    C 220          1H5*        C 220   8.838 -31.688  -2.958
  634   2H5*    C 220          2H5*        C 220   8.507 -33.198  -3.803
  635    H4*    C 220           H4*        C 220   6.420 -32.508  -3.052
  636    H3*    C 220           H3*        C 220   6.812 -31.850  -5.942
  637   1H2*    C 220          1H2*        C 220   4.710 -30.794  -6.078
  638   2HO*    C 220          2HO*        C 220   4.372 -31.790  -3.396
  639    H1*    C 220           H1*        C 220   5.045 -29.458  -3.580
  640   1H4     C 220          1H4         C 220   6.260 -24.812  -7.751
  641   2H4     C 220          2H4         C 220   7.647 -25.687  -8.363
  642    H5     C 220           H5         C 220   8.277 -27.838  -7.620
  643    H6     C 220           H6         C 220   7.727 -29.700  -6.093
   
  No H/Q in entry =         643
  Start of MODEL   21
    1    H    MET   1           HN       MET   1   2.483 -14.328   4.745
    2    HA   MET   1           HA       MET   1   4.723 -12.619   5.200
    3   1HB   MET   1          2HB       MET   1   4.791 -15.485   5.856
    4   2HB   MET   1          3HB       MET   1   5.937 -15.135   4.577
    5   1HG   MET   1          2HG       MET   1   6.243 -13.014   6.452
    6   2HG   MET   1          3HG       MET   1   6.097 -14.467   7.421
    7   1HE   MET   1          3HE       MET   1   7.821 -15.713   8.074
    8   2HE   MET   1          1HE       MET   1   7.755 -16.815   6.678
    9   3HE   MET   1          2HE       MET   1   9.316 -16.144   7.209
   10    H    GLN   2           HN       GLN   2   2.518 -12.946   3.238
   11    HA   GLN   2           HA       GLN   2   3.758 -14.104   0.942
   12   1HB   GLN   2          2HB       GLN   2   1.089 -13.104   1.702
   13   2HB   GLN   2          3HB       GLN   2   1.523 -12.671   0.060
   14   1HG   GLN   2          2HG       GLN   2   0.412 -14.848   0.026
   15   2HG   GLN   2          3HG       GLN   2   2.095 -15.071  -0.409
   16   1HE2  GLN   2          2HE2      GLN   2   2.968 -17.098   2.277
   17   2HE2  GLN   2          1HE2      GLN   2   3.439 -16.237   0.850
   18    H    LYS   3           HN       LYS   3   3.173 -12.437  -1.174
   19    HA   LYS   3           HA       LYS   3   3.854 -10.663  -2.299
   20   1HB   LYS   3          2HB       LYS   3   3.847  -9.320   0.419
   21   2HB   LYS   3          3HB       LYS   3   4.124  -8.475  -1.092
   22   1HG   LYS   3          2HG       LYS   3   1.744 -10.194  -1.255
   23   2HG   LYS   3          3HG       LYS   3   1.621  -9.063   0.079
   24   1HD   LYS   3          2HD       LYS   3   0.921  -7.562  -1.490
   25   2HD   LYS   3          3HD       LYS   3   2.616  -7.421  -1.914
   26   1HE   LYS   3          2HE       LYS   3   1.603  -9.766  -3.242
   27   2HE   LYS   3          3HE       LYS   3   0.443  -8.479  -3.509
   28   1HZ   LYS   3          1HZ       LYS   3   2.511  -8.685  -5.058
   29   2HZ   LYS   3          2HZ       LYS   3   2.025  -7.198  -4.604
   30    H    GLY   4           HN       GLY   4   5.693 -12.546  -2.148
   31   1HA   GLY   4          1HA       GLY   4   8.090 -11.987  -0.821
   32   2HA   GLY   4          2HA       GLY   4   7.895 -12.976  -2.254
   33    H    ASN   5           HN       ASN   5   6.538 -10.351  -3.476
   34    HA   ASN   5           HA       ASN   5   8.679  -9.632  -5.009
   35   1HB   ASN   5          2HB       ASN   5   6.015  -9.083  -5.067
   36   2HB   ASN   5          3HB       ASN   5   6.569  -7.553  -4.417
   37   1HD2  ASN   5          2HD2      ASN   5   7.836  -6.288  -7.382
   38   2HD2  ASN   5          1HD2      ASN   5   7.468  -6.085  -5.702
   39    H    PHE   6           HN       PHE   6   7.624  -8.588  -1.789
   40    HA   PHE   6           HA       PHE   6   8.808  -6.095  -1.637
   41   1HB   PHE   6          2HB       PHE   6   7.695  -8.218   0.065
   42   2HB   PHE   6          3HB       PHE   6   9.100  -7.532   0.853
   43    HD1  PHE   6           HD1      PHE   6   6.772  -5.670  -1.339
   44    HD2  PHE   6           HD2      PHE   6   8.027  -6.427   2.644
   45    HE1  PHE   6           HE1      PHE   6   5.381  -3.743  -0.534
   46    HE2  PHE   6           HE2      PHE   6   6.636  -4.498   3.448
   47    HZ   PHE   6           HZ       PHE   6   5.329  -3.180   1.850
   48    H    ARG   7           HN       ARG   7  10.284  -9.192  -2.033
   49    HA   ARG   7           HA       ARG   7  12.543  -8.907  -0.510
   50   1HB   ARG   7          2HB       ARG   7  11.951 -10.352  -3.119
   51   2HB   ARG   7          3HB       ARG   7  13.565 -10.400  -2.439
   52   1HG   ARG   7          2HG       ARG   7  11.796 -10.944  -0.266
   53   2HG   ARG   7          3HG       ARG   7  11.185 -11.876  -1.620
   54   1HD   ARG   7          2HD       ARG   7  12.826 -13.404  -1.263
   55   2HD   ARG   7          3HD       ARG   7  14.015 -12.196  -1.706
   56    HE   ARG   7           HE       ARG   7  13.246 -12.985   1.034
   57   1HH1  ARG   7          2HH2      ARG   7  14.976 -10.647  -0.990
   58   2HH1  ARG   7          1HH2      ARG   7  15.965 -10.067   0.308
   59    HH2  ARG   7           HH1      ARG   7  15.698 -11.006   2.497
   60    H    ASN   8           HN       ASN   8  11.456  -6.966  -3.090
   61    HA   ASN   8           HA       ASN   8  13.706  -6.479  -4.553
   62   1HB   ASN   8          2HB       ASN   8  12.650  -4.274  -5.069
   63   2HB   ASN   8          3HB       ASN   8  11.463  -5.561  -5.110
   64   1HD2  ASN   8          2HD2      ASN   8  10.265  -2.535  -3.176
   65   2HD2  ASN   8          1HD2      ASN   8  11.020  -2.760  -4.719
   66    H    GLN   9           HN       GLN   9  12.614  -5.242  -1.356
   67    HA   GLN   9           HA       GLN   9  14.401  -3.159  -1.113
   68   1HB   GLN   9          2HB       GLN   9  13.122  -4.946   0.998
   69   2HB   GLN   9          3HB       GLN   9  14.022  -3.494   1.387
   70   1HG   GLN   9          2HG       GLN   9  12.379  -2.076   0.557
   71   2HG   GLN   9          3HG       GLN   9  11.886  -3.195  -0.697
   72   1HE2  GLN   9          2HE2      GLN   9  10.449  -3.607   3.176
   73   2HE2  GLN   9          1HE2      GLN   9  11.989  -2.889   2.847
   74    H    ARG  10           HN       ARG  10  15.039  -6.482  -1.417
   75    HA   ARG  10           HA       ARG  10  17.023  -6.911   0.411
   76   1HB   ARG  10          2HB       ARG  10  17.777  -8.712  -1.110
   77   2HB   ARG  10          3HB       ARG  10  16.027  -8.669  -1.058
   78   1HG   ARG  10          2HG       ARG  10  16.211  -7.098  -3.153
   79   2HG   ARG  10          3HG       ARG  10  17.862  -7.676  -3.267
   80   1HD   ARG  10          2HD       ARG  10  17.190  -9.666  -4.149
   81   2HD   ARG  10          3HD       ARG  10  16.040  -9.926  -2.853
   82    HE   ARG  10           HE       ARG  10  15.193  -7.937  -4.856
   83   1HH1  ARG  10          2HH2      ARG  10  15.102 -11.343  -3.881
   84   2HH1  ARG  10          1HH2      ARG  10  13.689 -11.701  -4.816
   85    HH2  ARG  10           HH1      ARG  10  12.663  -9.962  -6.107
   86    H    LYS  11           HN       LYS  11  16.929  -4.723  -2.264
   87    HA   LYS  11           HA       LYS  11  19.862  -4.568  -2.297
   88   1HB   LYS  11          2HB       LYS  11  18.926  -5.132  -4.469
   89   2HB   LYS  11          3HB       LYS  11  17.826  -3.770  -4.397
   90   1HG   LYS  11          2HG       LYS  11  19.487  -2.213  -4.846
   91   2HG   LYS  11          3HG       LYS  11  20.726  -3.124  -4.005
   92   1HD   LYS  11          2HD       LYS  11  21.451  -3.988  -5.969
   93   2HD   LYS  11          3HD       LYS  11  19.882  -4.721  -6.242
   94   1HE   LYS  11          2HE       LYS  11  19.800  -3.329  -8.061
   95   2HE   LYS  11          3HE       LYS  11  19.310  -2.115  -6.898
   96   1HZ   LYS  11          1HZ       LYS  11  21.254  -1.040  -7.185
   97   2HZ   LYS  11          2HZ       LYS  11  22.158  -2.382  -7.000
   98    H    THR  12           HN       THR  12  17.386  -2.153  -3.288
   99    HA   THR  12           HA       THR  12  17.386  -0.604  -0.998
  100    HB   THR  12           HB       THR  12  19.939  -0.590  -1.802
  101    HG1  THR  12           HG1      THR  12  18.167   1.646  -1.133
  102   1HG2  THR  12          1HG2      THR  12  18.875   0.457  -4.112
  103   2HG2  THR  12          2HG2      THR  12  19.104   1.945  -3.162
  104   3HG2  THR  12          3HG2      THR  12  20.492   0.885  -3.504
  105    H    VAL  13           HN       VAL  13  15.461  -1.426  -2.780
  106    HA   VAL  13           HA       VAL  13  14.850   0.024  -4.944
  107    HB   VAL  13           HB       VAL  13  12.455  -0.181  -4.170
  108   1HG1  VAL  13          3HG1      VAL  13  14.401  -2.224  -4.800
  109   2HG1  VAL  13          1HG1      VAL  13  13.130  -2.886  -3.745
  110   3HG1  VAL  13          2HG1      VAL  13  12.691  -2.101  -5.280
  111   1HG2  VAL  13          3HG2      VAL  13  13.787  -1.427  -1.743
  112   2HG2  VAL  13          1HG2      VAL  13  12.778   0.039  -1.771
  113   3HG2  VAL  13          2HG2      VAL  13  12.057  -1.547  -2.138
  114    H    LYS  14           HN       LYS  14  13.563   1.981  -5.354
  115    HA   LYS  14           HA       LYS  14  14.191   4.020  -3.346
  116   1HB   LYS  14          2HB       LYS  14  14.412   5.559  -5.063
  117   2HB   LYS  14          3HB       LYS  14  15.077   4.102  -5.775
  118   1HG   LYS  14          2HG       LYS  14  12.408   3.826  -6.432
  119   2HG   LYS  14          3HG       LYS  14  12.571   5.571  -6.453
  120   1HD   LYS  14          2HD       LYS  14  14.677   3.903  -7.840
  121   2HD   LYS  14          3HD       LYS  14  13.126   4.117  -8.624
  122   1HE   LYS  14          2HE       LYS  14  13.597   6.274  -9.193
  123   2HE   LYS  14          3HE       LYS  14  14.125   6.668  -7.570
  124   1HZ   LYS  14          1HZ       LYS  14  16.298   6.092  -8.069
  125   2HZ   LYS  14          2HZ       LYS  14  15.903   5.029  -9.238
  126    H    CYS  15           HN       CYS  15  12.591   5.320  -2.456
  127    HA   CYS  15           HA       CYS  15   9.967   4.224  -2.577
  128   1HB   CYS  15          2HB       CYS  15  10.925   5.091  -0.475
  129   2HB   CYS  15          3HB       CYS  15  10.999   6.703  -1.158
  130    H    PHE  16           HN       PHE  16   8.632   4.662  -4.300
  131    HA   PHE  16           HA       PHE  16   9.119   6.910  -5.975
  132   1HB   PHE  16          2HB       PHE  16   7.126   4.623  -5.684
  133   2HB   PHE  16          3HB       PHE  16   6.712   5.935  -6.771
  134    HD1  PHE  16           HD1      PHE  16   9.323   6.582  -7.972
  135    HD2  PHE  16           HD2      PHE  16   7.593   2.815  -7.062
  136    HE1  PHE  16           HE1      PHE  16  10.693   5.515  -9.784
  137    HE2  PHE  16           HE2      PHE  16   8.964   1.748  -8.874
  138    HZ   PHE  16           HZ       PHE  16  10.498   3.111 -10.213
  139    H    ASN  17           HN       ASN  17   7.915   6.865  -2.924
  140    HA   ASN  17           HA       ASN  17   5.650   8.565  -3.489
  141   1HB   ASN  17          2HB       ASN  17   5.823   6.660  -1.641
  142   2HB   ASN  17          3HB       ASN  17   6.677   7.874  -0.709
  143   1HD2  ASN  17          2HD2      ASN  17   3.625   8.912   0.584
  144   2HD2  ASN  17          1HD2      ASN  17   5.196   8.227   0.837
  145    H    CYS  18           HN       CYS  18   8.519   8.538  -1.224
  146    HA   CYS  18           HA       CYS  18   8.454  11.418  -1.130
  147   1HB   CYS  18          2HB       CYS  18  10.262  11.161   0.547
  148   2HB   CYS  18          3HB       CYS  18   8.814  10.267   0.963
  149    H    GLY  19           HN       GLY  19  10.518   8.691  -2.295
  150   1HA   GLY  19          1HA       GLY  19  11.663   8.919  -4.373
  151   2HA   GLY  19          2HA       GLY  19  11.930  10.617  -4.030
  152    H    LYS  20           HN       LYS  20  12.262   8.105  -1.514
  153    HA   LYS  20           HA       LYS  20  15.100   8.780  -1.374
  154   1HB   LYS  20          2HB       LYS  20  13.164   8.712   0.571
  155   2HB   LYS  20          3HB       LYS  20  13.904   7.136   0.764
  156   1HG   LYS  20          2HG       LYS  20  16.155   8.188   0.918
  157   2HG   LYS  20          3HG       LYS  20  15.448   9.771   0.664
  158   1HD   LYS  20          2HD       LYS  20  15.395   9.851   2.954
  159   2HD   LYS  20          3HD       LYS  20  13.919   8.924   2.770
  160   1HE   LYS  20          2HE       LYS  20  15.055   6.834   3.186
  161   2HE   LYS  20          3HE       LYS  20  16.636   7.560   2.976
  162   1HZ   LYS  20          1HZ       LYS  20  16.187   8.904   4.992
  163   2HZ   LYS  20          2HZ       LYS  20  14.756   8.154   5.200
  164    H    GLU  21           HN       GLU  21  16.196   6.577  -0.167
  165    HA   GLU  21           HA       GLU  21  15.518   4.388  -1.956
  166   1HB   GLU  21          2HB       GLU  21  17.982   5.960  -1.946
  167   2HB   GLU  21          3HB       GLU  21  18.327   4.276  -1.603
  168   1HG   GLU  21          2HG       GLU  21  17.425   3.526  -3.663
  169   2HG   GLU  21          3HG       GLU  21  16.443   4.963  -3.873
  170    HE1  GLU  21           HE2      GLU  21  19.695   4.097  -5.302
  171    H    GLY  22           HN       GLY  22  15.028   2.620  -0.739
  172   1HA   GLY  22          1HA       GLY  22  16.417   1.166   0.917
  173   2HA   GLY  22          2HA       GLY  22  16.064   2.494   2.003
  174    H    HIS  23           HN       HIS  23  13.404   3.106   0.782
  175    HA   HIS  23           HA       HIS  23  11.961   0.659   1.447
  176   1HB   HIS  23          2HB       HIS  23  10.509   1.737   2.958
  177   2HB   HIS  23          3HB       HIS  23  12.134   2.177   3.446
  178    HD1  HIS  23           HD1      HIS  23  12.829   4.669   3.250
  179    HD2  HIS  23           HD2      HIS  23   8.947   3.868   1.879
  180    HE1  HIS  23           HE1      HIS  23  11.698   6.935   2.946
  181    H    ILE  24           HN       ILE  24   9.626   0.770   0.693
  182    HA   ILE  24           HA       ILE  24   9.534   2.369  -1.768
  183    HB   ILE  24           HB       ILE  24   8.245   0.671  -2.758
  184   1HG1  ILE  24          2HG1      ILE  24   8.133  -0.803  -0.113
  185   2HG1  ILE  24          3HG1      ILE  24   6.843   0.217  -0.718
  186   1HG2  ILE  24          3HG2      ILE  24  10.829   0.131  -1.654
  187   2HG2  ILE  24          1HG2      ILE  24   9.885  -1.377  -1.681
  188   3HG2  ILE  24          2HG2      ILE  24  10.112  -0.444  -3.179
  189   1HD1  ILE  24          2HD1      ILE  24   7.990  -2.052  -2.390
  190   2HD1  ILE  24          3HD1      ILE  24   6.665  -2.307  -1.229
  191   3HD1  ILE  24          1HD1      ILE  24   6.441  -1.201  -2.605
  192    H    ALA  25           HN       ALA  25   7.303   3.090  -2.431
  193    HA   ALA  25           HA       ALA  25   6.176   4.688  -0.524
  194   1HB   ALA  25          3HB       ALA  25   5.058   3.452  -3.063
  195   2HB   ALA  25          1HB       ALA  25   4.182   4.682  -2.121
  196   3HB   ALA  25          2HB       ALA  25   5.760   5.073  -2.847
  197    H    LYS  26           HN       LYS  26   5.455   1.269  -1.351
  198    HA   LYS  26           HA       LYS  26   3.099   1.044   0.111
  199   1HB   LYS  26          2HB       LYS  26   5.170  -1.105  -0.422
  200   2HB   LYS  26          3HB       LYS  26   3.481  -1.352  -0.027
  201   1HG   LYS  26          2HG       LYS  26   4.010   0.446  -2.361
  202   2HG   LYS  26          3HG       LYS  26   4.444  -1.236  -2.591
  203   1HD   LYS  26          2HD       LYS  26   1.879  -1.208  -1.297
  204   2HD   LYS  26          3HD       LYS  26   1.806  -0.031  -2.594
  205   1HE   LYS  26          2HE       LYS  26   2.952  -1.938  -4.039
  206   2HE   LYS  26          3HE       LYS  26   2.378  -3.004  -2.773
  207   1HZ   LYS  26          1HZ       LYS  26   0.273  -2.801  -3.524
  208   2HZ   LYS  26          2HZ       LYS  26   0.344  -1.179  -3.652
  209    H    ASN  27           HN       ASN  27   6.559   0.675   1.057
  210    HA   ASN  27           HA       ASN  27   5.693   0.187   3.765
  211   1HB   ASN  27          2HB       ASN  27   8.468   0.246   2.467
  212   2HB   ASN  27          3HB       ASN  27   8.202  -0.101   4.164
  213   1HD2  ASN  27          2HD2      ASN  27   8.185  -3.079   1.597
  214   2HD2  ASN  27          1HD2      ASN  27   8.979  -1.546   1.472
  215    H    CYS  28           HN       CYS  28   5.783   2.846   1.946
  216    HA   CYS  28           HA       CYS  28   7.553   4.495   3.492
  217   1HB   CYS  28          2HB       CYS  28   7.262   4.863   1.065
  218   2HB   CYS  28          3HB       CYS  28   5.569   5.242   1.318
  219    H    ARG  29           HN       ARG  29   6.946   5.689   5.290
  220    HA   ARG  29           HA       ARG  29   4.430   5.188   6.396
  221   1HB   ARG  29          2HB       ARG  29   6.655   5.736   7.606
  222   2HB   ARG  29          3HB       ARG  29   6.355   7.416   7.211
  223   1HG   ARG  29          2HG       ARG  29   4.149   7.293   8.402
  224   2HG   ARG  29          3HG       ARG  29   4.470   5.620   8.812
  225   1HD   ARG  29          2HD       ARG  29   6.464   6.280  10.121
  226   2HD   ARG  29          3HD       ARG  29   6.272   7.951   9.629
  227    HE   ARG  29           HE       ARG  29   3.819   7.308  10.780
  228   1HH1  ARG  29          2HH2      ARG  29   7.184   7.201  11.881
  229   2HH1  ARG  29          1HH2      ARG  29   6.779   7.460  13.545
  230    HH2  ARG  29           HH1      ARG  29   4.479   7.721  14.165
  231    H    ALA  30           HN       ALA  30   5.779   7.705   4.308
  232    HA   ALA  30           HA       ALA  30   3.944   9.749   4.891
  233   1HB   ALA  30          2HB       ALA  30   6.161   9.257   3.152
  234   2HB   ALA  30          3HB       ALA  30   4.806   9.830   2.150
  235   3HB   ALA  30          1HB       ALA  30   5.374  10.810   3.524
  236    HA   PRO  31           HA       PRO  31   0.408   8.382   2.812
  237   1HB   PRO  31          2HB       PRO  31  -0.819  10.738   2.173
  238   2HB   PRO  31          3HB       PRO  31  -0.890  10.024   3.771
  239   1HG   PRO  31          2HG       PRO  31   0.692  12.344   2.845
  240   2HG   PRO  31          3HG       PRO  31   0.279  11.881   4.484
  241   1HD   PRO  31          2HD       PRO  31   2.813  11.527   3.189
  242   2HD   PRO  31          3HD       PRO  31   2.363  10.960   4.786
  243    H    ARG  32           HN       ARG  32  -0.675   7.981   0.823
  244    HA   ARG  32           HA       ARG  32   1.084   7.885  -1.259
  245   1HB   ARG  32          2HB       ARG  32  -1.959   8.036  -1.521
  246   2HB   ARG  32          3HB       ARG  32  -0.855   7.261  -2.640
  247   1HG   ARG  32          2HG       ARG  32  -0.390   6.191   0.018
  248   2HG   ARG  32          3HG       ARG  32  -2.108   6.121  -0.323
  249   1HD   ARG  32          2HD       ARG  32  -1.712   4.259  -1.562
  250   2HD   ARG  32          3HD       ARG  32  -0.900   5.278  -2.734
  251    HE   ARG  32           HE       ARG  32   1.089   4.275  -2.072
  252   1HH1  ARG  32          2HH2      ARG  32  -1.104   4.279   0.711
  253   2HH1  ARG  32          1HH2      ARG  32   0.020   3.475   1.756
  254    HH2  ARG  32           HH1      ARG  32   2.175   2.859   0.908
  255    H    LYS  33           HN       LYS  33   2.047   9.663  -2.213
  256    HA   LYS  33           HA       LYS  33   0.246  11.843  -3.004
  257   1HB   LYS  33          2HB       LYS  33   2.579  11.936  -1.257
  258   2HB   LYS  33          3HB       LYS  33   2.769  12.991  -2.643
  259   1HG   LYS  33          2HG       LYS  33   1.105  14.415  -1.956
  260   2HG   LYS  33          3HG       LYS  33   0.056  13.106  -1.445
  261   1HD   LYS  33          2HD       LYS  33   1.087  12.936   0.692
  262   2HD   LYS  33          3HD       LYS  33   2.546  13.752   0.164
  263   1HE   LYS  33          2HE       LYS  33   1.365  15.901   0.012
  264   2HE   LYS  33          3HE       LYS  33  -0.178  15.128   0.321
  265   1HZ   LYS  33          1HZ       LYS  33   0.638  14.508   2.535
  266   2HZ   LYS  33          2HZ       LYS  33   2.082  15.202   2.250
  267    H    LYS  34           HN       LYS  34   1.828  13.318  -4.626
  268    HA   LYS  34           HA       LYS  34   3.264  11.524  -6.387
  269   1HB   LYS  34          2HB       LYS  34   0.659  12.852  -7.134
  270   2HB   LYS  34          3HB       LYS  34   1.862  12.462  -8.346
  271   1HG   LYS  34          2HG       LYS  34   1.847  10.069  -7.162
  272   2HG   LYS  34          3HG       LYS  34   0.277  10.587  -6.579
  273   1HD   LYS  34          2HD       LYS  34   0.957  10.852  -9.524
  274   2HD   LYS  34          3HD       LYS  34   0.454   9.302  -8.881
  275   1HE   LYS  34          2HE       LYS  34  -1.214  11.718  -8.182
  276   2HE   LYS  34          3HE       LYS  34  -1.327  11.095  -9.816
  277   1HZ   LYS  34          1HZ       LYS  34  -1.997   8.966  -8.965
  278   2HZ   LYS  34          2HZ       LYS  34  -1.669   9.372  -7.423
  279    H    GLY  35           HN       GLY  35   4.529  13.289  -4.841
  280   1HA   GLY  35          1HA       GLY  35   4.752  15.811  -6.329
  281   2HA   GLY  35          2HA       GLY  35   5.361  15.477  -4.720
  282    H    CYS  36           HN       CYS  36   6.456  16.210  -7.675
  283    HA   CYS  36           HA       CYS  36   8.251  14.173  -8.307
  284   1HB   CYS  36          2HB       CYS  36   7.708  15.797  -9.973
  285   2HB   CYS  36          3HB       CYS  36   8.214  17.131  -8.956
  286    H    TRP  37           HN       TRP  37   9.994  13.483  -7.116
  287    HA   TRP  37           HA       TRP  37  10.938  15.145  -4.953
  288   1HB   TRP  37          2HB       TRP  37  12.477  12.757  -5.327
  289   2HB   TRP  37          3HB       TRP  37  11.430  13.219  -3.999
  290    HD1  TRP  37           HD1      TRP  37   8.735  12.467  -4.304
  291    HE1  TRP  37           HE1      TRP  37   7.606  10.386  -5.470
  292    HE3  TRP  37           HE3      TRP  37  12.739  11.247  -7.191
  293    HZ2  TRP  37           HZ2      TRP  37   8.493   8.507  -7.425
  294    HZ3  TRP  37           HZ3      TRP  37  12.525   9.275  -8.700
  295    HH2  TRP  37           HH2      TRP  37  10.494   7.923  -8.846
  296    H    LYS  38           HN       LYS  38  11.286  16.258  -7.603
  297    HA   LYS  38           HA       LYS  38  14.215  16.229  -7.704
  298   1HB   LYS  38          2HB       LYS  38  12.656  15.046  -9.636
  299   2HB   LYS  38          3HB       LYS  38  12.865  16.658 -10.288
  300   1HG   LYS  38          2HG       LYS  38  14.811  15.704 -11.102
  301   2HG   LYS  38          3HG       LYS  38  15.419  16.254  -9.553
  302   1HD   LYS  38          2HD       LYS  38  14.237  13.703  -9.059
  303   2HD   LYS  38          3HD       LYS  38  15.144  13.527 -10.547
  304   1HE   LYS  38          2HE       LYS  38  17.023  14.864  -9.165
  305   2HE   LYS  38          3HE       LYS  38  16.145  14.234  -7.787
  306   1HZ   LYS  38          1HZ       LYS  38  16.941  12.424  -9.982
  307   2HZ   LYS  38          2HZ       LYS  38  17.997  12.787  -8.797
  308    H    CYS  39           HN       CYS  39  11.140  17.920  -8.593
  309    HA   CYS  39           HA       CYS  39  12.624  20.427  -8.315
  310   1HB   CYS  39          2HB       CYS  39  10.710  21.432  -9.604
  311   2HB   CYS  39          3HB       CYS  39  11.698  20.301 -10.506
  312    H    GLY  40           HN       GLY  40   9.892  18.401  -7.253
  313   1HA   GLY  40          1HA       GLY  40   9.018  18.506  -5.094
  314   2HA   GLY  40          2HA       GLY  40   9.517  20.180  -4.954
  315    H    LYS  41           HN       LYS  41   7.995  19.139  -7.967
  316    HA   LYS  41           HA       LYS  41   5.694  20.791  -7.272
  317   1HB   LYS  41          2HB       LYS  41   7.311  20.661  -9.530
  318   2HB   LYS  41          3HB       LYS  41   5.863  19.806 -10.022
  319   1HG   LYS  41          2HG       LYS  41   4.865  22.026  -8.612
  320   2HG   LYS  41          3HG       LYS  41   6.242  22.678  -9.477
  321   1HD   LYS  41          2HD       LYS  41   5.226  22.455 -11.519
  322   2HD   LYS  41          3HD       LYS  41   4.589  20.868 -11.140
  323   1HE   LYS  41          2HE       LYS  41   2.543  21.800 -10.841
  324   2HE   LYS  41          3HE       LYS  41   3.167  22.664  -9.450
  325   1HZ   LYS  41          1HZ       LYS  41   3.652  23.747 -12.149
  326   2HZ   LYS  41          2HZ       LYS  41   2.212  24.006 -11.434
  327    H    GLU  42           HN       GLU  42   3.682  19.962  -6.934
  328    HA   GLU  42           HA       GLU  42   3.512  17.089  -6.986
  329   1HB   GLU  42          2HB       GLU  42   1.460  17.394  -5.676
  330   2HB   GLU  42          3HB       GLU  42   2.758  18.345  -4.979
  331   1HG   GLU  42          2HG       GLU  42   1.894  20.360  -6.261
  332   2HG   GLU  42          3HG       GLU  42   0.540  19.388  -6.802
  333    HE2  GLU  42           HE2      GLU  42   1.499  21.430  -4.563
  334    H    GLY  43           HN       GLY  43   2.538  15.953  -8.613
  335   1HA   GLY  43          1HA       GLY  43   0.323  16.011  -9.876
  336   2HA   GLY  43          2HA       GLY  43   0.951  17.495 -10.564
  337    H    HIS  44           HN       HIS  44   3.697  16.888 -10.889
  338    HA   HIS  44           HA       HIS  44   3.486  14.799 -12.923
  339   1HB   HIS  44          2HB       HIS  44   5.110  15.926 -14.171
  340   2HB   HIS  44          3HB       HIS  44   4.057  17.189 -13.567
  341    HD1  HIS  44           HD1      HIS  44   5.102  19.017 -12.140
  342    HD2  HIS  44           HD2      HIS  44   7.678  15.772 -12.792
  343    HE1  HIS  44           HE1      HIS  44   7.387  19.730 -11.257
  344    H    GLN  45           HN       GLN  45   5.856  13.800 -13.346
  345    HA   GLN  45           HA       GLN  45   6.959  13.200 -10.716
  346   1HB   GLN  45          2HB       GLN  45   7.152  10.853 -11.288
  347   2HB   GLN  45          3HB       GLN  45   5.491  11.339 -11.569
  348   1HG   GLN  45          2HG       GLN  45   6.658  11.883 -14.031
  349   2HG   GLN  45          3HG       GLN  45   7.561  10.471 -13.517
  350   1HE2  GLN  45          2HE2      GLN  45   5.102   8.306 -14.591
  351   2HE2  GLN  45          1HE2      GLN  45   6.771   8.744 -14.433
  352    H    MET  46           HN       MET  46   9.249  12.247 -10.877
  353    HA   MET  46           HA       MET  46  10.878  13.978 -12.171
  354   1HB   MET  46          2HB       MET  46  11.613  12.463 -10.354
  355   2HB   MET  46          3HB       MET  46  11.331  11.055 -11.358
  356   1HG   MET  46          2HG       MET  46  13.225  13.166 -12.394
  357   2HG   MET  46          3HG       MET  46  13.785  12.126 -11.099
  358   1HE   MET  46          1HE       MET  46  14.174  10.063 -11.015
  359   2HE   MET  46          2HE       MET  46  13.608   8.751 -12.077
  360   3HE   MET  46          3HE       MET  46  15.183   9.523 -12.378
  361    H    LYS  47           HN       LYS  47   9.673  10.770 -13.309
  362    HA   LYS  47           HA       LYS  47  11.241  10.556 -15.575
  363   1HB   LYS  47          2HB       LYS  47   9.904   8.728 -14.668
  364   2HB   LYS  47          3HB       LYS  47   8.419   9.576 -15.049
  365   1HG   LYS  47          2HG       LYS  47   9.678   9.622 -17.506
  366   2HG   LYS  47          3HG       LYS  47  10.279   8.108 -16.860
  367   1HD   LYS  47          2HD       LYS  47   8.237   7.585 -18.030
  368   2HD   LYS  47          3HD       LYS  47   7.872   7.463 -16.321
  369   1HE   LYS  47          2HE       LYS  47   6.102   8.826 -16.839
  370   2HE   LYS  47          3HE       LYS  47   7.288  10.112 -16.733
  371   1HZ   LYS  47          1HZ       LYS  47   6.471  10.459 -18.843
  372   2HZ   LYS  47          2HZ       LYS  47   7.671   9.435 -19.243
  373    H    ASP  48           HN       ASP  48   8.273  12.452 -14.933
  374    HA   ASP  48           HA       ASP  48   8.511  13.460 -17.658
  375   1HB   ASP  48          2HB       ASP  48   6.247  12.597 -16.066
  376   2HB   ASP  48          3HB       ASP  48   6.056  14.303 -16.415
  377    HD2  ASP  48           HD2      ASP  48   4.487  13.279 -19.240
  378    H    CYS  49           HN       CYS  49  10.123  14.291 -15.287
  379    HA   CYS  49           HA       CYS  49   9.180  16.439 -13.917
  380   1HB   CYS  49          2HB       CYS  49  11.385  15.302 -13.578
  381   2HB   CYS  49          3HB       CYS  49  12.006  16.143 -14.985
  382    H    THR  50           HN       THR  50   8.166  18.246 -14.722
  383    HA   THR  50           HA       THR  50   8.626  19.073 -17.434
  384    HB   THR  50           HB       THR  50   6.386  19.086 -16.246
  385    HG1  THR  50           HG1      THR  50   7.016  20.547 -18.063
  386   1HG2  THR  50          3HG2      THR  50   7.735  20.327 -14.154
  387   2HG2  THR  50          1HG2      THR  50   7.006  21.715 -14.996
  388   3HG2  THR  50          2HG2      THR  50   5.973  20.395 -14.395
  389    H    GLU  51           HN       GLU  51  10.522  19.371 -14.753
  390    HA   GLU  51           HA       GLU  51  11.881  21.564 -15.932
  391   1HB   GLU  51          2HB       GLU  51   9.967  22.243 -14.006
  392   2HB   GLU  51          3HB       GLU  51  11.456  22.201 -13.083
  393   1HG   GLU  51          2HG       GLU  51  11.589  24.380 -13.862
  394   2HG   GLU  51          3HG       GLU  51  12.403  23.575 -15.189
  395    HE1  GLU  51           HE2      GLU  51   8.521  23.940 -15.805
  396    H    ARG  52           HN       ARG  52  13.144  19.404 -16.034
  397    HA   ARG  52           HA       ARG  52  14.072  18.020 -13.985
  398   1HB   ARG  52          2HB       ARG  52  16.123  17.596 -15.324
  399   2HB   ARG  52          3HB       ARG  52  14.707  17.620 -16.357
  400   1HG   ARG  52          2HG       ARG  52  15.463  19.424 -17.524
  401   2HG   ARG  52          3HG       ARG  52  15.840  20.313 -16.061
  402   1HD   ARG  52          2HD       ARG  52  18.057  19.788 -16.193
  403   2HD   ARG  52          3HD       ARG  52  17.720  18.088 -16.455
  404    HE   ARG  52           HE       ARG  52  17.170  19.786 -18.791
  405   1HH1  ARG  52          2HH2      ARG  52  19.604  17.830 -17.115
  406   2HH1  ARG  52          1HH2      ARG  52  20.564  17.586 -18.535
  407    HH2  ARG  52           HH1      ARG  52  19.860  18.555 -20.611
  408    H    GLN  53           HN       GLN  53  16.330  18.067 -12.888
  409    HA   GLN  53           HA       GLN  53  17.503  20.645 -12.630
  410   1HB   GLN  53          2HB       GLN  53  15.372  20.232 -10.949
  411   2HB   GLN  53          3HB       GLN  53  16.673  19.596  -9.963
  412   1HG   GLN  53          2HG       GLN  53  17.631  22.038 -11.139
  413   2HG   GLN  53          3HG       GLN  53  16.020  22.363 -10.528
  414   1HE2  GLN  53          2HE2      GLN  53  18.734  22.853  -7.919
  415   2HE2  GLN  53          1HE2      GLN  53  18.562  23.337  -9.573
  416    H    ALA  54           HN       ALA  54  19.605  20.016 -12.904
  417    HA   ALA  54           HA       ALA  54  20.448  17.468 -11.800
  418   1HB   ALA  54          2HB       ALA  54  20.979  18.756 -14.153
  419   2HB   ALA  54          3HB       ALA  54  22.393  19.233 -13.182
  420   3HB   ALA  54          1HB       ALA  54  22.028  17.509 -13.436
  421    H    ASN  55           HN       ASN  55  22.792  17.531 -10.793
  422    HA   ASN  55           HA       ASN  55  22.574  19.408  -8.626
  423   1HB   ASN  55          2HB       ASN  55  23.045  16.956  -8.223
  424   2HB   ASN  55          3HB       ASN  55  24.557  17.118  -9.094
  425   1HD2  ASN  55          2HD2      ASN  55  26.314  17.924  -6.240
  426   2HD2  ASN  55          1HD2      ASN  55  26.179  17.085  -7.748
  427   1H5*    G 201          1H5*        G 201  -1.322 -20.790  -4.405
  428   2H5*    G 201          2H5*        G 201  -0.271 -19.531  -3.755
  429    H4*    G 201           H4*        G 201   0.280 -21.936  -3.152
  430    H3*    G 201           H3*        G 201   2.575 -20.498  -4.525
  431   1H2*    G 201          1H2*        G 201   3.833 -21.843  -3.047
  432   2HO*    G 201          2HO*        G 201   2.866 -22.420  -1.091
  433    H1*    G 201           H1*        G 201   2.124 -24.055  -3.237
  434    H8     G 201           H8         G 201   3.594 -21.631  -5.833
  435    H1     G 201           H1         G 201   5.405 -27.816  -6.430
  436   1H2     G 201          1H2         G 201   4.462 -28.951  -4.991
  437   2H2     G 201          2H2         G 201   3.346 -28.322  -3.799
  438   1H5*    G 202          1H5*        G 202   2.767 -19.972  -0.750
  439   2H5*    G 202          2H5*        G 202   3.338 -18.589   0.184
  440    H4*    G 202           H4*        G 202   4.758 -20.235   0.905
  441    H3*    G 202           H3*        G 202   6.100 -18.834  -1.394
  442   1H2*    G 202          1H2*        G 202   7.999 -20.209  -1.135
  443   2HO*    G 202          2HO*        G 202   6.645 -21.155   1.224
  444    H1*    G 202           H1*        G 202   6.510 -22.576  -0.797
  445    H8     G 202           H8         G 202   5.616 -19.916  -3.399
  446    H1     G 202           H1         G 202   8.945 -24.989  -5.650
  447   1H2     G 202          1H2         G 202   9.458 -26.226  -4.083
  448   2H2     G 202          2H2         G 202   9.048 -25.933  -2.408
  449   1H5*    A 203          1H5*        A 203   8.338 -18.917   1.664
  450   2H5*    A 203          2H5*        A 203   9.124 -17.594   2.525
  451    H4*    A 203           H4*        A 203  10.919 -18.933   2.088
  452    H3*    A 203           H3*        A 203  10.692 -16.972  -0.168
  453   1H2*    A 203          1H2*        A 203  12.508 -17.952  -1.289
  454   2HO*    A 203          2HO*        A 203  14.014 -19.026  -0.038
  455    H1*    A 203           H1*        A 203  11.730 -20.612  -0.730
  456    H8     A 203           H8         A 203   9.239 -17.942  -1.860
  457   1H6     A 203          1H6         A 203   9.829 -20.473  -7.534
  458   2H6     A 203          2H6         A 203   8.973 -19.264  -6.603
  459    H2     A 203           H2         A 203  12.669 -22.520  -4.797
  460   1H5*    C 204          1H5*        C 204  14.698 -17.242   0.999
  461   2H5*    C 204          2H5*        C 204  15.604 -15.746   0.764
  462    H4*    C 204           H4*        C 204  16.459 -17.656  -0.560
  463    H3*    C 204           H3*        C 204  15.531 -15.156  -1.955
  464   1H2*    C 204          1H2*        C 204  15.951 -16.093  -4.013
  465   2HO*    C 204          2HO*        C 204  18.151 -16.390  -3.300
  466    H1*    C 204           H1*        C 204  15.688 -18.846  -3.243
  467   1H4     C 204          1H4         C 204  10.503 -17.855  -6.803
  468   2H4     C 204          2H4         C 204   9.865 -16.758  -5.600
  469    H5     C 204           H5         C 204  11.031 -16.123  -3.647
  470    H6     C 204           H6         C 204  13.119 -16.389  -2.355
  471   1H5*    U 205          1H5*        U 205  19.643 -15.170  -2.769
  472   2H5*    U 205          2H5*        U 205  20.254 -13.630  -3.373
  473    H4*    U 205           H4*        U 205  19.804 -15.388  -5.111
  474    H3*    U 205           H3*        U 205  18.182 -12.839  -5.471
  475   1H2*    U 205          1H2*        U 205  18.100 -13.523  -7.688
  476   2HO*    U 205          2HO*        U 205  19.949 -14.616  -8.513
  477    H1*    U 205           H1*        U 205  18.298 -16.300  -7.234
  478    H3     U 205           H3         U 205  14.082 -16.228  -8.775
  479    H5     U 205           H5         U 205  13.815 -14.004  -5.237
  480    H6     U 205           H6         U 205  16.250 -14.216  -5.037
  481   1H5*    A 206          1H5*        A 206  20.788 -12.373  -7.816
  482   2H5*    A 206          2H5*        A 206  21.715 -10.932  -8.234
  483    H4*    A 206           H4*        A 206  20.428 -11.379 -10.128
  484    H3*    A 206           H3*        A 206  18.940  -9.272  -8.525
  485   1H2*    A 206          1H2*        A 206  17.581  -9.006 -10.387
  486   2HO*    A 206          2HO*        A 206  18.676  -9.926 -12.462
  487    H1*    A 206           H1*        A 206  17.864 -11.708 -11.321
  488    H8     A 206           H8         A 206  16.822 -10.875  -7.753
  489   1H6     A 206          1H6         A 206  10.976 -11.841  -9.717
  490   2H6     A 206          2H6         A 206  11.963 -11.505  -8.312
  491    H2     A 206           H2         A 206  13.685 -12.103 -13.230
  492   1H5*    G 207          1H5*        G 207  20.385  -7.745 -11.743
  493   2H5*    G 207          2H5*        G 207  20.522  -6.036 -12.154
  494    H4*    G 207           H4*        G 207  18.564  -7.004 -13.193
  495    H3*    G 207           H3*        G 207  17.723  -5.168 -10.916
  496   1H2*    G 207          1H2*        G 207  15.678  -5.160 -11.988
  497   2HO*    G 207          2HO*        G 207  16.740  -6.007 -14.458
  498    H1*    G 207           H1*        G 207  16.010  -7.662 -13.356
  499    H8     G 207           H8         G 207  16.497  -7.315  -9.593
  500    H1     G 207           H1         G 207  10.627  -9.340 -11.418
  501   1H2     G 207          1H2         G 207  10.482  -9.271 -13.473
  502   2H2     G 207          2H2         G 207  11.761  -8.743 -14.544
  503   1H5*    C 208          1H5*        C 208  18.323  -1.522 -13.833
  504   2H5*    C 208          2H5*        C 208  17.646  -0.257 -12.806
  505    H4*    C 208           H4*        C 208  16.322  -1.798 -14.739
  506    H3*    C 208           H3*        C 208  15.472   0.262 -12.729
  507   1H2*    C 208          1H2*        C 208  13.374  -0.611 -12.692
  508   2HO*    C 208          2HO*        C 208  12.608   0.201 -14.552
  509    H1*    C 208           H1*        C 208  13.654  -2.883 -14.455
  510   1H4     C 208          1H4         C 208  11.889  -5.521  -8.931
  511   2H4     C 208          2H4         C 208  13.420  -5.072  -8.212
  512    H5     C 208           H5         C 208  15.070  -3.796  -9.321
  513    H6     C 208           H6         C 208  15.662  -2.625 -11.412
  514   1H5*    G 209          1H5*        G 209  12.528   3.742 -16.057
  515   2H5*    G 209          2H5*        G 209  13.160   3.792 -14.412
  516    H4*    G 209           H4*        G 209  10.978   2.104 -15.568
  517    H3*    G 209           H3*        G 209  11.298   3.861 -13.140
  518   1H2*    G 209          1H2*        G 209   9.755   2.579 -11.983
  519   2HO*    G 209          2HO*        G 209   7.996   1.996 -13.160
  520    H1*    G 209           H1*        G 209  10.346   0.112 -13.324
  521    H8     G 209           H8         G 209  13.044   2.267 -11.713
  522    H1     G 209           H1         G 209  10.841  -2.575  -8.026
  523   1H2     G 209          1H2         G 209   9.259  -3.498  -8.975
  524   2H2     G 209          2H2         G 209   8.624  -3.030 -10.537
  525   1H5*    G 210          1H5*        G 210  10.329   6.204 -11.621
  526   2H5*    G 210          2H5*        G 210   9.704   4.639 -12.144
  527    H4*    G 210           H4*        G 210   8.138   5.115 -10.583
  528    H3*    G 210           H3*        G 210   7.169   6.024 -13.178
  529   1H2*    G 210          1H2*        G 210   6.471   8.052 -12.309
  530   2HO*    G 210          2HO*        G 210   4.346   7.601 -11.788
  531    H1*    G 210           H1*        G 210   6.096   7.471  -9.499
  532    H8     G 210           H8         G 210   9.168   8.218 -11.691
  533    H1     G 210           H1         G 210   7.771  12.664  -7.200
  534   1H2     G 210          1H2         G 210   6.098  12.078  -6.148
  535   2H2     G 210          2H2         G 210   5.206  10.601  -6.437
  536   1H5*    A 211          1H5*        A 211   7.581   3.233 -10.905
  537   2H5*    A 211          2H5*        A 211   7.683   1.475 -11.002
  538    H4*    A 211           H4*        A 211   6.601   1.677  -9.016
  539    H3*    A 211           H3*        A 211   4.523   1.470 -11.144
  540   1H2*    A 211          1H2*        A 211   3.392   2.990  -9.705
  541   2HO*    A 211          2HO*        A 211   3.025   0.510  -8.341
  542    H1*    A 211           H1*        A 211   4.567   1.501  -7.314
  543    H8     A 211           H8         A 211   4.564   5.139  -8.534
  544   1H6     A 211          1H6         A 211   1.851   6.442  -3.066
  545   2H6     A 211          2H6         A 211   2.477   7.144  -4.542
  546    H2     A 211           H2         A 211   2.415   2.042  -3.326
  547   1H5*    G 212          1H5*        G 212   2.988  -3.578  -9.553
  548   2H5*    G 212          2H5*        G 212   2.378  -2.997  -8.004
  549    H4*    G 212           H4*        G 212   5.138  -3.587  -8.867
  550    H3*    G 212           H3*        G 212   3.463  -3.985  -6.459
  551   1H2*    G 212          1H2*        G 212   4.953  -2.945  -5.086
  552   2HO*    G 212          2HO*        G 212   7.239  -4.099  -5.672
  553    H1*    G 212           H1*        G 212   7.033  -2.568  -7.216
  554    H8     G 212           H8         G 212   4.166  -0.454  -5.779
  555    H1     G 212           H1         G 212  10.117   1.931  -4.901
  556   1H2     G 212          1H2         G 212  11.506   0.620  -5.681
  557   2H2     G 212          2H2         G 212  11.116  -0.899  -6.456
  558   1H5*    G 213          1H5*        G 213   2.363  -5.130  -8.459
  559   2H5*    G 213          2H5*        G 213   1.291  -6.502  -8.737
  560    H4*    G 213           H4*        G 213   1.809  -5.752 -10.875
  561    H3*    G 213           H3*        G 213   3.456  -8.139 -10.134
  562   1H2*    G 213          1H2*        G 213   4.775  -7.959 -12.012
  563   2HO*    G 213          2HO*        G 213   3.253  -6.324 -13.573
  564    H1*    G 213           H1*        G 213   4.638  -5.182 -12.442
  565    H8     G 213           H8         G 213   5.224  -6.708  -8.982
  566    H1     G 213           H1         G 213  10.547  -4.685 -12.056
  567   1H2     G 213          1H2         G 213  10.046  -4.040 -13.949
  568   2H2     G 213          2H2         G 213   8.425  -4.047 -14.606
  569   1H5*    C 214          1H5*        C 214   2.107  -8.936 -13.949
  570   2H5*    C 214          2H5*        C 214   2.093 -10.660 -14.322
  571    H4*    C 214           H4*        C 214   3.838  -9.391 -15.533
  572    H3*    C 214           H3*        C 214   4.866 -11.505 -13.605
  573   1H2*    C 214          1H2*        C 214   6.895 -11.327 -14.751
  574   2HO*    C 214          2HO*        C 214   6.480 -11.367 -16.882
  575    H1*    C 214           H1*        C 214   6.856  -8.596 -15.189
  576   1H4     C 214          1H4         C 214   9.851  -8.836  -9.586
  577   2H4     C 214          2H4         C 214   8.426  -9.494  -8.816
  578    H5     C 214           H5         C 214   6.429 -10.012  -9.966
  579    H6     C 214           H6         C 214   5.297 -10.025 -12.160
  580   1H5*    U 215          1H5*        U 215   5.379 -13.005 -17.177
  581   2H5*    U 215          2H5*        U 215   5.525 -14.739 -17.462
  582    H4*    U 215           H4*        U 215   7.662 -13.529 -17.685
  583    H3*    U 215           H3*        U 215   7.527 -15.563 -15.434
  584   1H2*    U 215          1H2*        U 215   9.775 -15.218 -15.152
  585   2HO*    U 215          2HO*        U 215  10.222 -14.312 -17.771
  586    H1*    U 215           H1*        U 215  10.065 -12.681 -16.372
  587    H3     U 215           H3         U 215  11.258 -11.517 -12.202
  588    H5     U 215           H5         U 215   7.255 -12.660 -11.741
  589    H6     U 215           H6         U 215   7.279 -13.333 -14.099
  590   1H5*    A 216          1H5*        A 216   9.690 -16.914 -18.393
  591   2H5*    A 216          2H5*        A 216  10.057 -18.589 -18.808
  592    H4*    A 216           H4*        A 216  12.014 -17.479 -17.911
  593    H3*    A 216           H3*        A 216  10.836 -19.714 -16.285
  594   1H2*    A 216          1H2*        A 216  12.363 -19.381 -14.593
  595   2HO*    A 216          2HO*        A 216  14.449 -19.051 -15.263
  596    H1*    A 216           H1*        A 216  12.810 -16.565 -15.321
  597    H8     A 216           H8         A 216   9.483 -17.824 -14.033
  598   1H6     A 216          1H6         A 216  11.332 -15.773  -8.436
  599   2H6     A 216          2H6         A 216   9.983 -16.442  -9.325
  600    H2     A 216           H2         A 216  14.747 -15.395 -11.254
  601   1H5*    G 217          1H5*        G 217  14.544 -20.605 -17.020
  602   2H5*    G 217          2H5*        G 217  15.207 -22.238 -16.979
  603    H4*    G 217           H4*        G 217  15.834 -21.317 -14.937
  604    H3*    G 217           H3*        G 217  13.234 -22.766 -14.303
  605   1H2*    G 217          1H2*        G 217  14.049 -22.745 -12.102
  606   2HO*    G 217          2HO*        G 217  16.594 -21.926 -13.118
  607    H1*    G 217           H1*        G 217  15.368 -20.205 -12.490
  608    H8     G 217           H8         G 217  11.681 -20.749 -13.266
  609    H1     G 217           H1         G 217  12.900 -18.258  -7.418
  610   1H2     G 217          1H2         G 217  14.936 -18.235  -7.090
  611   2H2     G 217          2H2         G 217  16.135 -18.804  -8.230
  612   1H5*    U 218          1H5*        U 218  16.430 -24.963 -13.449
  613   2H5*    U 218          2H5*        U 218  16.573 -26.716 -13.323
  614    H4*    U 218           H4*        U 218  16.972 -25.907 -11.163
  615    H3*    U 218           H3*        U 218  14.117 -26.889 -11.362
  616   1H2*    U 218          1H2*        U 218  13.882 -26.513  -9.083
  617   2HO*    U 218          2HO*        U 218  15.861 -27.779  -8.806
  618    H1*    U 218           H1*        U 218  15.784 -24.325  -9.042
  619    H3     U 218           H3         U 218  12.218 -22.303  -7.150
  620    H5     U 218           H5         U 218  10.933 -23.083 -11.059
  621    H6     U 218           H6         U 218  13.024 -24.318 -11.395
  622   1H5*    C 219          1H5*        C 219  15.919 -29.585  -7.951
  623   2H5*    C 219          2H5*        C 219  14.908 -30.996  -8.259
  624    H4*    C 219           H4*        C 219  14.686 -30.125  -5.965
  625    H3*    C 219           H3*        C 219  12.312 -30.305  -7.772
  626   1H2*    C 219          1H2*        C 219  10.892 -29.319  -6.194
  627   2HO*    C 219          2HO*        C 219  12.886 -29.260  -4.199
  628    H1*    C 219           H1*        C 219  12.929 -27.473  -5.304
  629   1H4     C 219          1H4         C 219   8.836 -23.733  -8.442
  630   2H4     C 219          2H4         C 219   9.271 -24.502  -9.953
  631    H5     C 219           H5         C 219  10.756 -26.330 -10.119
  632    H6     C 219           H6         C 219  12.204 -27.888  -8.864
  633   1H5*    C 220          1H5*        C 220  11.036 -33.251  -4.547
  634   2H5*    C 220          2H5*        C 220  10.769 -34.734  -5.461
  635    H4*    C 220           H4*        C 220   8.780 -34.392  -4.289
  636    H3*    C 220           H3*        C 220   8.607 -33.759  -7.168
  637   1H2*    C 220          1H2*        C 220   6.538 -32.670  -7.045
  638   2HO*    C 220          2HO*        C 220   5.476 -32.914  -4.804
  639    H1*    C 220           H1*        C 220   7.189 -31.376  -4.555
  640   1H4     C 220          1H4         C 220   7.578 -26.512  -8.627
  641   2H4     C 220          2H4         C 220   8.737 -27.380  -9.607
  642    H5     C 220           H5         C 220   9.460 -29.581  -9.153
  643    H6     C 220           H6         C 220   9.244 -31.512  -7.629
   
  No H/Q in entry =         643
  Start of MODEL   22
    1    H    MET   1           HN       MET   1   4.266 -16.717   0.245
    2    HA   MET   1           HA       MET   1   3.372 -16.806   2.577
    3   1HB   MET   1          2HB       MET   1   5.948 -16.115   1.521
    4   2HB   MET   1          3HB       MET   1   5.701 -15.043   2.886
    5   1HG   MET   1          2HG       MET   1   6.646 -16.918   3.941
    6   2HG   MET   1          3HG       MET   1   4.936 -17.233   4.158
    7   1HE   MET   1          2HE       MET   1   4.169 -19.060   4.100
    8   2HE   MET   1          3HE       MET   1   3.819 -19.843   2.540
    9   3HE   MET   1          1HE       MET   1   5.014 -20.560   3.648
   10    H    GLN   2           HN       GLN   2   4.624 -13.525   1.598
   11    HA   GLN   2           HA       GLN   2   2.313 -12.262   2.576
   12   1HB   GLN   2          2HB       GLN   2   3.527 -12.881   4.736
   13   2HB   GLN   2          3HB       GLN   2   4.823 -11.809   4.244
   14   1HG   GLN   2          2HG       GLN   2   3.642 -10.172   5.305
   15   2HG   GLN   2          3HG       GLN   2   2.612 -10.177   3.888
   16   1HE2  GLN   2          2HE2      GLN   2   1.457 -12.194   7.331
   17   2HE2  GLN   2          1HE2      GLN   2   3.124 -11.962   6.925
   18    H    LYS   3           HN       LYS   3   3.605 -12.256   0.099
   19    HA   LYS   3           HA       LYS   3   4.223 -10.826  -1.471
   20   1HB   LYS   3          2HB       LYS   3   3.391  -9.016   0.694
   21   2HB   LYS   3          3HB       LYS   3   4.551  -8.303  -0.408
   22   1HG   LYS   3          2HG       LYS   3   2.005  -9.735  -1.301
   23   2HG   LYS   3          3HG       LYS   3   2.137  -7.998  -1.113
   24   1HD   LYS   3          2HD       LYS   3   3.524  -7.751  -2.978
   25   2HD   LYS   3          3HD       LYS   3   4.220  -9.351  -2.811
   26   1HE   LYS   3          2HE       LYS   3   2.013 -10.347  -3.544
   27   2HE   LYS   3          3HE       LYS   3   1.393  -8.726  -3.792
   28   1HZ   LYS   3          1HZ       LYS   3   2.517  -8.569  -5.728
   29   2HZ   LYS   3          2HZ       LYS   3   3.911  -9.140  -5.110
   30    H    GLY   4           HN       GLY   4   6.160 -12.395  -0.881
   31   1HA   GLY   4          1HA       GLY   4   8.412 -11.449   0.458
   32   2HA   GLY   4          2HA       GLY   4   8.388 -12.663  -0.805
   33    H    ASN   5           HN       ASN   5   6.959 -10.361  -2.512
   34    HA   ASN   5           HA       ASN   5   9.125  -9.749  -4.034
   35   1HB   ASN   5          2HB       ASN   5   6.513  -9.396  -4.396
   36   2HB   ASN   5          3HB       ASN   5   6.812  -7.794  -3.748
   37   1HD2  ASN   5          2HD2      ASN   5   8.057  -6.458  -6.677
   38   2HD2  ASN   5          1HD2      ASN   5   7.405  -6.263  -5.084
   39    H    PHE   6           HN       PHE   6   8.081  -8.460  -0.953
   40    HA   PHE   6           HA       PHE   6   9.003  -5.853  -1.086
   41   1HB   PHE   6          2HB       PHE   6   8.177  -7.905   0.850
   42   2HB   PHE   6          3HB       PHE   6   9.534  -7.012   1.507
   43    HD1  PHE   6           HD2      PHE   6   7.024  -5.531  -0.755
   44    HD2  PHE   6           HD1      PHE   6   8.340  -5.929   3.260
   45    HE1  PHE   6           HE2      PHE   6   5.474  -3.684  -0.064
   46    HE2  PHE   6           HE1      PHE   6   6.789  -4.080   3.951
   47    HZ   PHE   6           HZ       PHE   6   5.374  -2.980   2.281
   48    H    ARG   7           HN       ARG   7  10.770  -8.809  -1.286
   49    HA   ARG   7           HA       ARG   7  13.044  -8.170   0.103
   50   1HB   ARG   7          2HB       ARG   7  14.162  -9.850  -1.372
   51   2HB   ARG   7          3HB       ARG   7  12.602 -10.423  -0.817
   52   1HG   ARG   7          2HG       ARG   7  11.696  -9.335  -3.060
   53   2HG   ARG   7          3HG       ARG   7  13.371  -9.413  -3.570
   54   1HD   ARG   7          2HD       ARG   7  13.120 -11.613  -4.067
   55   2HD   ARG   7          3HD       ARG   7  12.761 -11.956  -2.386
   56    HE   ARG   7           HE       ARG   7  10.351 -11.018  -3.220
   57   1HH1  ARG   7          2HH2      ARG   7  12.546 -13.351  -4.735
   58   2HH1  ARG   7          1HH2      ARG   7  11.275 -14.223  -5.524
   59    HH2  ARG   7           HH1      ARG   7   9.005 -13.510  -5.232
   60    H    ASN   8           HN       ASN   8  11.671  -6.615  -2.614
   61    HA   ASN   8           HA       ASN   8  13.782  -6.039  -4.219
   62   1HB   ASN   8          2HB       ASN   8  12.510  -3.944  -4.799
   63   2HB   ASN   8          3HB       ASN   8  11.470  -5.354  -4.747
   64   1HD2  ASN   8          2HD2      ASN   8  10.292  -2.227  -2.771
   65   2HD2  ASN   8          1HD2      ASN   8  11.180  -2.354  -4.252
   66    H    GLN   9           HN       GLN   9  13.163  -5.120  -0.908
   67    HA   GLN   9           HA       GLN   9  14.436  -2.655  -0.848
   68   1HB   GLN   9          2HB       GLN   9  14.043  -4.769   1.311
   69   2HB   GLN   9          3HB       GLN   9  14.666  -3.165   1.637
   70   1HG   GLN   9          2HG       GLN   9  12.601  -2.127   0.799
   71   2HG   GLN   9          3HG       GLN   9  11.988  -3.679   0.263
   72   1HE2  GLN   9          2HE2      GLN   9  11.321  -4.957   3.553
   73   2HE2  GLN   9          1HE2      GLN   9  11.937  -5.409   1.999
   74    H    ARG  10           HN       ARG  10  15.692  -5.698  -1.618
   75    HA   ARG  10           HA       ARG  10  18.162  -5.448  -0.270
   76   1HB   ARG  10          2HB       ARG  10  18.807  -7.443  -1.518
   77   2HB   ARG  10          3HB       ARG  10  17.136  -7.640  -1.029
   78   1HG   ARG  10          2HG       ARG  10  16.322  -7.072  -3.243
   79   2HG   ARG  10          3HG       ARG  10  17.899  -6.500  -3.751
   80   1HD   ARG  10          2HD       ARG  10  17.207  -9.392  -3.041
   81   2HD   ARG  10          3HD       ARG  10  17.427  -8.768  -4.663
   82    HE   ARG  10           HE       ARG  10  19.535  -9.421  -2.749
   83   1HH1  ARG  10          2HH2      ARG  10  18.750  -7.446  -5.583
   84   2HH1  ARG  10          1HH2      ARG  10  20.401  -7.285  -6.083
   85    HH2  ARG  10           HH1      ARG  10  22.126  -8.328  -4.788
   86    H    LYS  11           HN       LYS  11  16.788  -3.717  -2.790
   87    HA   LYS  11           HA       LYS  11  19.432  -3.147  -3.931
   88   1HB   LYS  11          2HB       LYS  11  18.117  -4.449  -5.535
   89   2HB   LYS  11          3HB       LYS  11  16.790  -3.312  -5.412
   90   1HG   LYS  11          2HG       LYS  11  17.995  -1.579  -6.501
   91   2HG   LYS  11          3HG       LYS  11  19.552  -2.305  -6.154
   92   1HD   LYS  11          2HD       LYS  11  19.381  -2.949  -8.366
   93   2HD   LYS  11          3HD       LYS  11  18.544  -4.311  -7.649
   94   1HE   LYS  11          2HE       LYS  11  17.084  -3.581  -9.385
   95   2HE   LYS  11          3HE       LYS  11  16.365  -2.936  -7.923
   96   1HZ   LYS  11          1HZ       LYS  11  17.209  -0.790  -8.412
   97   2HZ   LYS  11          2HZ       LYS  11  18.253  -1.326  -9.541
   98    H    THR  12           HN       THR  12  18.390  -1.897  -1.611
   99    HA   THR  12           HA       THR  12  17.544   0.055  -0.819
  100    HB   THR  12           HB       THR  12  20.052   0.243  -1.601
  101    HG1  THR  12           HG1      THR  12  18.074   2.335  -1.121
  102   1HG2  THR  12          3HG2      THR  12  18.777   1.130  -3.983
  103   2HG2  THR  12          1HG2      THR  12  19.335   2.612  -3.171
  104   3HG2  THR  12          2HG2      THR  12  20.497   1.322  -3.568
  105    H    VAL  13           HN       VAL  13  15.598  -0.900  -2.475
  106    HA   VAL  13           HA       VAL  13  14.809   0.415  -4.659
  107    HB   VAL  13           HB       VAL  13  12.467   0.173  -3.735
  108   1HG1  VAL  13          1HG1      VAL  13  14.489  -1.908  -4.223
  109   2HG1  VAL  13          2HG1      VAL  13  13.080  -2.474  -3.296
  110   3HG1  VAL  13          3HG1      VAL  13  12.850  -1.718  -4.891
  111   1HG2  VAL  13          1HG2      VAL  13  14.040  -0.759  -1.321
  112   2HG2  VAL  13          2HG2      VAL  13  12.761   0.476  -1.400
  113   3HG2  VAL  13          3HG2      VAL  13  12.353  -1.242  -1.620
  114    H    LYS  14           HN       LYS  14  13.443   2.302  -5.107
  115    HA   LYS  14           HA       LYS  14  14.026   4.449  -3.194
  116   1HB   LYS  14          2HB       LYS  14  14.194   5.940  -4.983
  117   2HB   LYS  14          3HB       LYS  14  15.002   4.497  -5.562
  118   1HG   LYS  14          2HG       LYS  14  12.389   3.996  -6.334
  119   2HG   LYS  14          3HG       LYS  14  12.458   5.740  -6.483
  120   1HD   LYS  14          2HD       LYS  14  14.851   4.361  -7.577
  121   2HD   LYS  14          3HD       LYS  14  13.360   3.931  -8.393
  122   1HE   LYS  14          2HE       LYS  14  13.086   6.685  -8.158
  123   2HE   LYS  14          3HE       LYS  14  14.820   6.523  -8.365
  124   1HZ   LYS  14          1HZ       LYS  14  12.724   5.506 -10.201
  125   2HZ   LYS  14          2HZ       LYS  14  13.855   6.631 -10.530
  126    H    CYS  15           HN       CYS  15  12.372   5.745  -2.400
  127    HA   CYS  15           HA       CYS  15   9.776   4.578  -2.560
  128   1HB   CYS  15          2HB       CYS  15  10.669   5.515  -0.453
  129   2HB   CYS  15          3HB       CYS  15  10.699   7.114  -1.169
  130    H    PHE  16           HN       PHE  16   8.422   4.980  -4.274
  131    HA   PHE  16           HA       PHE  16   8.929   7.214  -5.988
  132   1HB   PHE  16          2HB       PHE  16   6.935   4.906  -5.747
  133   2HB   PHE  16          3HB       PHE  16   6.653   6.162  -6.937
  134    HD1  PHE  16           HD1      PHE  16   9.362   6.713  -7.928
  135    HD2  PHE  16           HD2      PHE  16   7.520   3.015  -6.954
  136    HE1  PHE  16           HE1      PHE  16  10.884   5.532  -9.536
  137    HE2  PHE  16           HE2      PHE  16   9.042   1.834  -8.562
  138    HZ   PHE  16           HZ       PHE  16  10.706   3.106  -9.834
  139    H    ASN  17           HN       ASN  17   7.741   7.286  -2.991
  140    HA   ASN  17           HA       ASN  17   5.410   8.878  -3.665
  141   1HB   ASN  17          2HB       ASN  17   5.481   6.962  -1.837
  142   2HB   ASN  17          3HB       ASN  17   6.301   8.151  -0.844
  143   1HD2  ASN  17          2HD2      ASN  17   3.149   9.078   0.326
  144   2HD2  ASN  17          1HD2      ASN  17   4.672   8.313   0.636
  145    H    CYS  18           HN       CYS  18   8.315   8.840  -1.455
  146    HA   CYS  18           HA       CYS  18   8.163  11.739  -1.298
  147   1HB   CYS  18          2HB       CYS  18   9.822  11.519   0.516
  148   2HB   CYS  18          3HB       CYS  18   8.368  10.592   0.829
  149    H    GLY  19           HN       GLY  19  10.271   8.986  -2.300
  150   1HA   GLY  19          1HA       GLY  19  11.590   9.143  -4.256
  151   2HA   GLY  19          2HA       GLY  19  11.786  10.864  -3.990
  152    H    LYS  20           HN       LYS  20  12.019   8.453  -1.356
  153    HA   LYS  20           HA       LYS  20  14.891   9.061  -1.220
  154   1HB   LYS  20          2HB       LYS  20  12.787   9.324   0.737
  155   2HB   LYS  20          3HB       LYS  20  13.963   8.153   1.298
  156   1HG   LYS  20          2HG       LYS  20  15.717   9.708   1.333
  157   2HG   LYS  20          3HG       LYS  20  15.011  10.700   0.073
  158   1HD   LYS  20          2HD       LYS  20  14.027  12.040   1.614
  159   2HD   LYS  20          3HD       LYS  20  13.187  10.672   2.317
  160   1HE   LYS  20          2HE       LYS  20  14.469  11.317   4.150
  161   2HE   LYS  20          3HE       LYS  20  15.570  10.166   3.421
  162   1HZ   LYS  20          1HZ       LYS  20  16.745  12.210   3.867
  163   2HZ   LYS  20          2HZ       LYS  20  16.622  12.077   2.248
  164    H    GLU  21           HN       GLU  21  16.348   7.357  -0.975
  165    HA   GLU  21           HA       GLU  21  15.258   4.823  -1.731
  166   1HB   GLU  21          2HB       GLU  21  17.970   6.083  -1.614
  167   2HB   GLU  21          3HB       GLU  21  17.922   4.341  -1.437
  168   1HG   GLU  21          2HG       GLU  21  17.291   4.000  -3.619
  169   2HG   GLU  21          3HG       GLU  21  16.183   5.358  -3.619
  170    HE1  GLU  21           HE2      GLU  21  19.555   4.693  -3.528
  171    H    GLY  22           HN       GLY  22  15.303   2.896  -0.492
  172   1HA   GLY  22          1HA       GLY  22  16.382   1.863   1.513
  173   2HA   GLY  22          2HA       GLY  22  15.900   3.310   2.376
  174    H    HIS  23           HN       HIS  23  13.339   3.495   0.682
  175    HA   HIS  23           HA       HIS  23  11.926   1.118   1.494
  176   1HB   HIS  23          2HB       HIS  23  10.411   2.125   2.975
  177   2HB   HIS  23          3HB       HIS  23  11.995   2.663   3.499
  178    HD1  HIS  23           HD1      HIS  23  12.555   5.190   3.281
  179    HD2  HIS  23           HD2      HIS  23   8.748   4.152   1.858
  180    HE1  HIS  23           HE1      HIS  23  11.299   7.384   2.934
  181    H    ILE  24           HN       ILE  24   9.693   1.077   0.576
  182    HA   ILE  24           HA       ILE  24   9.626   2.723  -1.850
  183    HB   ILE  24           HB       ILE  24   8.352   0.982  -2.862
  184   1HG1  ILE  24          2HG1      ILE  24   8.436  -0.531  -0.236
  185   2HG1  ILE  24          3HG1      ILE  24   7.049   0.376  -0.806
  186   1HG2  ILE  24          1HG2      ILE  24  10.982   0.791  -2.266
  187   2HG2  ILE  24          2HG2      ILE  24  10.385  -0.728  -1.558
  188   3HG2  ILE  24          3HG2      ILE  24  10.101  -0.376  -3.279
  189   1HD1  ILE  24          2HD1      ILE  24   8.364  -1.819  -2.462
  190   2HD1  ILE  24          3HD1      ILE  24   7.011  -2.119  -1.344
  191   3HD1  ILE  24          1HD1      ILE  24   6.787  -1.043  -2.746
  192    H    ALA  25           HN       ALA  25   7.391   3.354  -2.612
  193    HA   ALA  25           HA       ALA  25   6.138   4.931  -0.780
  194   1HB   ALA  25          1HB       ALA  25   5.116   3.581  -3.305
  195   2HB   ALA  25          2HB       ALA  25   4.200   4.830  -2.426
  196   3HB   ALA  25          3HB       ALA  25   5.784   5.222  -3.137
  197    H    LYS  26           HN       LYS  26   5.642   1.456  -1.484
  198    HA   LYS  26           HA       LYS  26   3.234   1.164  -0.106
  199   1HB   LYS  26          2HB       LYS  26   5.422  -0.899  -0.489
  200   2HB   LYS  26          3HB       LYS  26   3.730  -1.211  -0.158
  201   1HG   LYS  26          2HG       LYS  26   4.288   0.533  -2.529
  202   2HG   LYS  26          3HG       LYS  26   4.789  -1.140  -2.680
  203   1HD   LYS  26          2HD       LYS  26   2.205  -1.261  -1.514
  204   2HD   LYS  26          3HD       LYS  26   2.087  -0.009  -2.735
  205   1HE   LYS  26          2HE       LYS  26   3.115  -1.604  -4.411
  206   2HE   LYS  26          3HE       LYS  26   3.110  -2.855  -3.184
  207   1HZ   LYS  26          1HZ       LYS  26   0.684  -2.634  -3.048
  208   2HZ   LYS  26          2HZ       LYS  26   0.681  -1.455  -4.170
  209    H    ASN  27           HN       ASN  27   6.678   0.911   0.961
  210    HA   ASN  27           HA       ASN  27   5.766   0.461   3.647
  211   1HB   ASN  27          2HB       ASN  27   8.552   0.704   2.399
  212   2HB   ASN  27          3HB       ASN  27   8.299   0.436   4.112
  213   1HD2  ASN  27          2HD2      ASN  27   8.527  -2.672   1.700
  214   2HD2  ASN  27          1HD2      ASN  27   9.182  -1.084   1.477
  215    H    CYS  28           HN       CYS  28   5.594   3.090   1.851
  216    HA   CYS  28           HA       CYS  28   7.198   4.908   3.410
  217   1HB   CYS  28          2HB       CYS  28   6.917   5.180   0.941
  218   2HB   CYS  28          3HB       CYS  28   5.214   5.509   1.191
  219    H    ARG  29           HN       ARG  29   6.385   6.250   5.048
  220    HA   ARG  29           HA       ARG  29   3.837   5.503   6.053
  221   1HB   ARG  29          2HB       ARG  29   5.877   6.007   7.490
  222   2HB   ARG  29          3HB       ARG  29   5.738   7.693   7.031
  223   1HG   ARG  29          2HG       ARG  29   4.451   7.837   8.926
  224   2HG   ARG  29          3HG       ARG  29   3.178   7.262   7.868
  225   1HD   ARG  29          2HD       ARG  29   4.917   5.167   9.148
  226   2HD   ARG  29          3HD       ARG  29   3.810   6.024  10.202
  227    HE   ARG  29           HE       ARG  29   2.402   5.215   7.834
  228   1HH1  ARG  29          2HH2      ARG  29   3.805   3.835  10.780
  229   2HH1  ARG  29          1HH2      ARG  29   2.717   2.488  10.815
  230    HH2  ARG  29           HH1      ARG  29   1.057   2.274   9.100
  231    H    ALA  30           HN       ALA  30   5.211   8.053   4.058
  232    HA   ALA  30           HA       ALA  30   3.355  10.087   4.598
  233   1HB   ALA  30          2HB       ALA  30   5.084   9.425   2.185
  234   2HB   ALA  30          3HB       ALA  30   4.143  10.928   2.345
  235   3HB   ALA  30          1HB       ALA  30   5.448  10.567   3.500
  236    HA   PRO  31           HA       PRO  31  -0.135   8.736   2.434
  237   1HB   PRO  31          2HB       PRO  31  -1.303  11.087   1.676
  238   2HB   PRO  31          3HB       PRO  31  -1.434  10.431   3.295
  239   1HG   PRO  31          2HG       PRO  31   0.215  12.691   2.338
  240   2HG   PRO  31          3HG       PRO  31  -0.256  12.293   3.978
  241   1HD   PRO  31          2HD       PRO  31   2.310  11.853   2.774
  242   2HD   PRO  31          3HD       PRO  31   1.803  11.351   4.376
  243    H    ARG  32           HN       ARG  32  -1.194   8.323   0.420
  244    HA   ARG  32           HA       ARG  32   0.634   8.111  -1.602
  245   1HB   ARG  32          2HB       ARG  32  -2.406   8.286  -1.909
  246   2HB   ARG  32          3HB       ARG  32  -1.301   7.517  -3.032
  247   1HG   ARG  32          2HG       ARG  32  -1.024   6.530  -0.247
  248   2HG   ARG  32          3HG       ARG  32  -2.612   6.242  -0.930
  249   1HD   ARG  32          2HD       ARG  32  -1.485   4.331  -1.670
  250   2HD   ARG  32          3HD       ARG  32  -1.243   5.388  -3.046
  251    HE   ARG  32           HE       ARG  32   1.039   5.311  -2.600
  252   1HH1  ARG  32          2HH2      ARG  32  -0.687   4.751   0.443
  253   2HH1  ARG  32          1HH2      ARG  32   0.760   4.512   1.364
  254    HH2  ARG  32           HH1      ARG  32   2.887   4.659   0.269
  255    H    LYS  33           HN       LYS  33   1.669   9.873  -2.525
  256    HA   LYS  33           HA       LYS  33  -0.074  11.989  -3.559
  257   1HB   LYS  33          2HB       LYS  33   1.522  13.685  -2.887
  258   2HB   LYS  33          3HB       LYS  33   0.963  12.795  -1.485
  259   1HG   LYS  33          2HG       LYS  33   3.055  11.311  -1.740
  260   2HG   LYS  33          3HG       LYS  33   3.627  12.462  -2.932
  261   1HD   LYS  33          2HD       LYS  33   2.760  13.968  -0.636
  262   2HD   LYS  33          3HD       LYS  33   3.751  12.648  -0.048
  263   1HE   LYS  33          2HE       LYS  33   5.386  13.360  -2.019
  264   2HE   LYS  33          3HE       LYS  33   4.509  14.875  -1.959
  265   1HZ   LYS  33          1HZ       LYS  33   6.522  14.026  -0.217
  266   2HZ   LYS  33          2HZ       LYS  33   5.687  15.422  -0.144
  267    H    LYS  34           HN       LYS  34   1.659  13.464  -5.022
  268    HA   LYS  34           HA       LYS  34   3.329  11.636  -6.536
  269   1HB   LYS  34          2HB       LYS  34   1.034  11.458  -7.513
  270   2HB   LYS  34          3HB       LYS  34   1.076  13.175  -7.859
  271   1HG   LYS  34          2HG       LYS  34   2.318  12.839  -9.729
  272   2HG   LYS  34          3HG       LYS  34   3.530  11.948  -8.829
  273   1HD   LYS  34          2HD       LYS  34   2.420   9.857  -9.156
  274   2HD   LYS  34          3HD       LYS  34   0.900  10.624  -9.576
  275   1HE   LYS  34          2HE       LYS  34   3.438  10.808 -11.269
  276   2HE   LYS  34          3HE       LYS  34   2.138   9.670 -11.565
  277   1HZ   LYS  34          1HZ       LYS  34   1.740  11.577 -12.922
  278   2HZ   LYS  34          2HZ       LYS  34   0.635  11.670 -11.730
  279    H    GLY  35           HN       GLY  35   4.379  13.436  -4.860
  280   1HA   GLY  35          1HA       GLY  35   4.747  15.975  -6.249
  281   2HA   GLY  35          2HA       GLY  35   5.314  15.538  -4.649
  282    H    CYS  36           HN       CYS  36   6.392  16.306  -7.670
  283    HA   CYS  36           HA       CYS  36   8.227  14.327  -8.293
  284   1HB   CYS  36          2HB       CYS  36   7.745  15.935  -9.958
  285   2HB   CYS  36          3HB       CYS  36   8.109  17.284  -8.900
  286    H    TRP  37           HN       TRP  37   9.997  13.637  -7.141
  287    HA   TRP  37           HA       TRP  37  10.887  15.216  -4.899
  288   1HB   TRP  37          2HB       TRP  37  12.491  12.888  -5.419
  289   2HB   TRP  37          3HB       TRP  37  11.473  13.268  -4.044
  290    HD1  TRP  37           HD1      TRP  37   8.706  12.619  -4.481
  291    HE1  TRP  37           HE1      TRP  37   7.611  10.522  -5.650
  292    HE3  TRP  37           HE3      TRP  37  12.838  11.276  -7.122
  293    HZ2  TRP  37           HZ2      TRP  37   8.575   8.581  -7.506
  294    HZ3  TRP  37           HZ3      TRP  37  12.677   9.267  -8.589
  295    HH2  TRP  37           HH2      TRP  37  10.638   7.936  -8.805
  296    H    LYS  38           HN       LYS  38  11.219  16.559  -7.393
  297    HA   LYS  38           HA       LYS  38  14.142  16.605  -7.507
  298   1HB   LYS  38          2HB       LYS  38  12.613  15.497  -9.526
  299   2HB   LYS  38          3HB       LYS  38  12.832  17.144 -10.081
  300   1HG   LYS  38          2HG       LYS  38  14.730  15.968 -10.924
  301   2HG   LYS  38          3HG       LYS  38  15.340  16.860  -9.545
  302   1HD   LYS  38          2HD       LYS  38  14.338  14.315  -8.601
  303   2HD   LYS  38          3HD       LYS  38  15.378  14.014  -9.978
  304   1HE   LYS  38          2HE       LYS  38  16.828  15.930  -8.562
  305   2HE   LYS  38          3HE       LYS  38  16.077  15.012  -7.272
  306   1HZ   LYS  38          1HZ       LYS  38  17.154  13.327  -9.339
  307   2HZ   LYS  38          2HZ       LYS  38  18.302  14.245  -8.639
  308    H    CYS  39           HN       CYS  39  11.020  18.234  -8.357
  309    HA   CYS  39           HA       CYS  39  12.406  20.771  -7.901
  310   1HB   CYS  39          2HB       CYS  39  10.488  21.781  -9.180
  311   2HB   CYS  39          3HB       CYS  39  11.542  20.743 -10.119
  312    H    GLY  40           HN       GLY  40   9.710  18.600  -7.042
  313   1HA   GLY  40          1HA       GLY  40   8.787  18.547  -4.898
  314   2HA   GLY  40          2HA       GLY  40   9.216  20.228  -4.652
  315    H    LYS  41           HN       LYS  41   7.814  19.302  -7.760
  316    HA   LYS  41           HA       LYS  41   5.439  20.835  -7.045
  317   1HB   LYS  41          2HB       LYS  41   7.112  20.849  -9.272
  318   2HB   LYS  41          3HB       LYS  41   5.692  19.990  -9.831
  319   1HG   LYS  41          2HG       LYS  41   4.225  21.816  -9.253
  320   2HG   LYS  41          3HG       LYS  41   5.458  22.602  -8.285
  321   1HD   LYS  41          2HD       LYS  41   5.350  23.812 -10.368
  322   2HD   LYS  41          3HD       LYS  41   6.840  22.891 -10.406
  323   1HE   LYS  41          2HE       LYS  41   6.036  21.376 -12.008
  324   2HE   LYS  41          3HE       LYS  41   4.363  21.590 -11.534
  325   1HZ   LYS  41          1HZ       LYS  41   5.869  23.805 -12.791
  326   2HZ   LYS  41          2HZ       LYS  41   5.105  22.689 -13.700
  327    H    GLU  42           HN       GLU  42   3.463  19.914  -6.756
  328    HA   GLU  42           HA       GLU  42   3.389  17.047  -6.947
  329   1HB   GLU  42          2HB       GLU  42   1.267  17.245  -5.707
  330   2HB   GLU  42          3HB       GLU  42   2.533  18.160  -4.912
  331   1HG   GLU  42          2HG       GLU  42   1.203  19.993  -5.013
  332   2HG   GLU  42          3HG       GLU  42   1.382  19.980  -6.757
  333    HE2  GLU  42           HE2      GLU  42  -2.123  19.745  -6.445
  334    H    GLY  43           HN       GLY  43   2.686  16.030  -8.769
  335   1HA   GLY  43          1HA       GLY  43   0.417  16.074 -10.055
  336   2HA   GLY  43          2HA       GLY  43   1.084  17.566 -10.686
  337    H    HIS  44           HN       HIS  44   3.778  17.068 -11.036
  338    HA   HIS  44           HA       HIS  44   3.671  14.975 -13.063
  339   1HB   HIS  44          2HB       HIS  44   5.394  16.119 -14.197
  340   2HB   HIS  44          3HB       HIS  44   4.247  17.343 -13.688
  341    HD1  HIS  44           HD1      HIS  44   5.056  19.142 -12.034
  342    HD2  HIS  44           HD2      HIS  44   7.898  16.149 -12.782
  343    HE1  HIS  44           HE1      HIS  44   7.248  19.970 -11.024
  344    H    GLN  45           HN       GLN  45   6.104  14.041 -13.420
  345    HA   GLN  45           HA       GLN  45   7.091  13.364 -10.764
  346   1HB   GLN  45          2HB       GLN  45   7.227  11.048 -11.293
  347   2HB   GLN  45          3HB       GLN  45   5.639  11.540 -11.845
  348   1HG   GLN  45          2HG       GLN  45   7.263  12.051 -14.073
  349   2HG   GLN  45          3HG       GLN  45   7.955  10.584 -13.411
  350   1HE2  GLN  45          2HE2      GLN  45   5.542   8.515 -14.741
  351   2HE2  GLN  45          1HE2      GLN  45   7.154   8.795 -14.174
  352    H    MET  46           HN       MET  46   9.390  12.385 -10.887
  353    HA   MET  46           HA       MET  46  11.055  14.175 -12.075
  354   1HB   MET  46          2HB       MET  46  11.848  12.734 -10.287
  355   2HB   MET  46          3HB       MET  46  11.414  11.280 -11.162
  356   1HG   MET  46          2HG       MET  46  13.881  11.697 -11.207
  357   2HG   MET  46          3HG       MET  46  13.194  11.676 -12.818
  358   1HE   MET  46          1HE       MET  46  15.541  12.586 -13.181
  359   2HE   MET  46          2HE       MET  46  14.610  13.514 -14.380
  360   3HE   MET  46          3HE       MET  46  15.826  14.333 -13.371
  361    H    LYS  47           HN       LYS  47   9.835  11.030 -13.331
  362    HA   LYS  47           HA       LYS  47  11.505  10.750 -15.497
  363   1HB   LYS  47          2HB       LYS  47   9.959   9.026 -14.723
  364   2HB   LYS  47          3HB       LYS  47   8.583   9.998 -15.200
  365   1HG   LYS  47          2HG       LYS  47   9.585   9.995 -17.588
  366   2HG   LYS  47          3HG       LYS  47  10.692   8.762 -17.019
  367   1HD   LYS  47          2HD       LYS  47   8.867   7.549 -17.973
  368   2HD   LYS  47          3HD       LYS  47   8.625   7.432 -16.241
  369   1HE   LYS  47          2HE       LYS  47   6.477   8.050 -16.943
  370   2HE   LYS  47          3HE       LYS  47   7.160   9.619 -16.559
  371   1HZ   LYS  47          1HZ       LYS  47   7.856   9.630 -19.027
  372   2HZ   LYS  47          2HZ       LYS  47   6.778   8.428 -19.234
  373    H    ASP  48           HN       ASP  48   8.816  12.996 -14.937
  374    HA   ASP  48           HA       ASP  48   9.387  14.082 -17.580
  375   1HB   ASP  48          2HB       ASP  48   6.715  13.762 -16.153
  376   2HB   ASP  48          3HB       ASP  48   6.922  14.903 -17.467
  377    HD2  ASP  48           HD2      ASP  48   6.068  14.108 -19.124
  378    H    CYS  49           HN       CYS  49  10.757  14.860 -15.214
  379    HA   CYS  49           HA       CYS  49   9.538  16.828 -13.711
  380   1HB   CYS  49          2HB       CYS  49  11.698  15.721 -13.160
  381   2HB   CYS  49          3HB       CYS  49  12.477  16.621 -14.446
  382    H    THR  50           HN       THR  50   8.568  18.662 -14.510
  383    HA   THR  50           HA       THR  50   9.355  19.719 -17.064
  384    HB   THR  50           HB       THR  50   6.979  19.599 -16.277
  385    HG1  THR  50           HG1      THR  50   7.268  21.317 -17.702
  386   1HG2  THR  50          1HG2      THR  50   7.989  21.637 -14.225
  387   2HG2  THR  50          2HG2      THR  50   6.270  21.391 -14.617
  388   3HG2  THR  50          3HG2      THR  50   7.210  20.076 -13.873
  389    H    GLU  51           HN       GLU  51  10.726  19.918 -14.015
  390    HA   GLU  51           HA       GLU  51  11.856  21.481 -12.930
  391   1HB   GLU  51          2HB       GLU  51  13.821  22.307 -14.296
  392   2HB   GLU  51          3HB       GLU  51  13.551  20.577 -14.389
  393   1HG   GLU  51          2HG       GLU  51  12.269  20.931 -16.540
  394   2HG   GLU  51          3HG       GLU  51  12.653  22.639 -16.458
  395    HE2  GLU  51           HE2      GLU  51  13.627  20.994 -18.552
  396    H    ARG  52           HN       ARG  52   9.707  22.802 -12.847
  397    HA   ARG  52           HA       ARG  52  10.220  25.337 -14.185
  398   1HB   ARG  52          2HB       ARG  52   7.842  23.672 -14.158
  399   2HB   ARG  52          3HB       ARG  52   7.467  25.180 -13.348
  400   1HG   ARG  52          2HG       ARG  52   8.359  26.456 -15.306
  401   2HG   ARG  52          3HG       ARG  52   8.743  24.951 -16.116
  402   1HD   ARG  52          2HD       ARG  52   6.545  24.532 -16.681
  403   2HD   ARG  52          3HD       ARG  52   5.927  25.134 -15.155
  404    HE   ARG  52           HE       ARG  52   6.746  27.457 -16.302
  405   1HH1  ARG  52          1HH2      ARG  52   4.011  25.773 -18.773
  406   2HH1  ARG  52          2HH2      ARG  52   4.874  24.770 -17.656
  407    HH2  ARG  52           HH1      ARG  52   4.458  28.127 -18.827
  408    H    GLN  53           HN       GLN  53   8.671  23.730 -11.315
  409    HA   GLN  53           HA       GLN  53   8.410  24.344  -9.250
  410   1HB   GLN  53          2HB       GLN  53  11.074  25.420  -9.975
  411   2HB   GLN  53          3HB       GLN  53  10.365  26.198  -8.575
  412   1HG   GLN  53          2HG       GLN  53   9.843  23.436  -8.204
  413   2HG   GLN  53          3HG       GLN  53  11.480  23.498  -8.826
  414   1HE2  GLN  53          2HE2      GLN  53  12.568  23.951  -5.553
  415   2HE2  GLN  53          1HE2      GLN  53  12.496  22.954  -6.967
  416    H    ALA  54           HN       ALA  54   6.412  25.459 -10.220
  417    HA   ALA  54           HA       ALA  54   6.424  28.210  -9.286
  418   1HB   ALA  54          3HB       ALA  54   6.828  27.820 -11.933
  419   2HB   ALA  54          1HB       ALA  54   5.050  27.748 -11.895
  420   3HB   ALA  54          2HB       ALA  54   5.894  29.192 -11.286
  421    H    ASN  55           HN       ASN  55   4.342  28.907  -8.573
  422    HA   ASN  55           HA       ASN  55   2.236  26.941  -8.831
  423   1HB   ASN  55          2HB       ASN  55   1.728  27.244  -6.336
  424   2HB   ASN  55          3HB       ASN  55   3.185  26.333  -6.680
  425   1HD2  ASN  55          2HD2      ASN  55   5.260  28.390  -4.853
  426   2HD2  ASN  55          1HD2      ASN  55   4.885  26.850  -5.553
  427   1H5*    G 201          1H5*        G 201  -0.946 -16.302  -8.707
  428   2H5*    G 201          2H5*        G 201   0.692 -15.680  -8.508
  429    H4*    G 201           H4*        G 201  -0.276 -18.309  -8.063
  430    H3*    G 201           H3*        G 201   2.654 -17.531  -8.082
  431   1H2*    G 201          1H2*        G 201   2.737 -19.329  -6.551
  432   2HO*    G 201          2HO*        G 201   1.118 -18.723  -5.158
  433    H1*    G 201           H1*        G 201   0.783 -20.847  -7.841
  434    H8     G 201           H8         G 201   3.429 -18.757  -9.672
  435    H1     G 201           H1         G 201   4.587 -25.118  -9.410
  436   1H2     G 201          1H2         G 201   3.113 -26.042  -8.303
  437   2H2     G 201          2H2         G 201   1.764 -25.215  -7.555
  438   1H5*    G 202          1H5*        G 202   1.790 -17.122  -4.015
  439   2H5*    G 202          2H5*        G 202   2.628 -15.769  -3.256
  440    H4*    G 202           H4*        G 202   3.184 -17.672  -1.992
  441    H3*    G 202           H3*        G 202   5.403 -16.756  -3.783
  442   1H2*    G 202          1H2*        G 202   6.785 -18.526  -3.121
  443   2HO*    G 202          2HO*        G 202   4.770 -18.860  -1.089
  444    H1*    G 202           H1*        G 202   4.748 -20.478  -3.080
  445    H8     G 202           H8         G 202   5.087 -17.898  -5.884
  446    H1     G 202           H1         G 202   7.594 -23.725  -7.164
  447   1H2     G 202          1H2         G 202   7.453 -24.919  -5.489
  448   2H2     G 202          2H2         G 202   6.759 -24.416  -3.964
  449   1H5*    A 203          1H5*        A 203   7.404 -18.234   0.336
  450   2H5*    A 203          2H5*        A 203   8.059 -16.626   0.644
  451    H4*    A 203           H4*        A 203   9.851 -18.123   0.921
  452    H3*    A 203           H3*        A 203   9.961 -16.494  -1.555
  453   1H2*    A 203          1H2*        A 203  11.786 -17.663  -2.463
  454   2HO*    A 203          2HO*        A 203  12.557 -19.412  -0.721
  455    H1*    A 203           H1*        A 203  10.798 -20.219  -1.742
  456    H8     A 203           H8         A 203   8.574 -17.532  -3.301
  457   1H6     A 203          1H6         A 203   9.468 -20.579  -8.673
  458   2H6     A 203          2H6         A 203   8.611 -19.251  -7.922
  459    H2     A 203           H2         A 203  11.959 -22.517  -5.545
  460   1H5*    C 204          1H5*        C 204  13.775 -16.902  -0.083
  461   2H5*    C 204          2H5*        C 204  14.809 -15.479  -0.213
  462    H4*    C 204           H4*        C 204  15.846 -17.250  -1.416
  463    H3*    C 204           H3*        C 204  14.625 -15.150  -3.205
  464   1H2*    C 204          1H2*        C 204  15.503 -16.244  -5.076
  465   2HO*    C 204          2HO*        C 204  17.045 -17.652  -3.089
  466    H1*    C 204           H1*        C 204  15.057 -18.864  -4.096
  467   1H4     C 204          1H4         C 204  10.149 -18.048  -8.064
  468   2H4     C 204          2H4         C 204   9.493 -16.795  -7.033
  469    H5     C 204           H5         C 204  10.561 -16.005  -5.080
  470    H6     C 204           H6         C 204  12.541 -16.225  -3.622
  471   1H5*    U 205          1H5*        U 205  18.872 -14.952  -2.618
  472   2H5*    U 205          2H5*        U 205  19.898 -13.533  -2.821
  473    H4*    U 205           H4*        U 205  20.623 -15.023  -4.462
  474    H3*    U 205           H3*        U 205  18.889 -12.863  -5.570
  475   1H2*    U 205          1H2*        U 205  18.897 -13.795  -7.724
  476   2HO*    U 205          2HO*        U 205  20.803 -14.705  -8.228
  477    H1*    U 205           H1*        U 205  18.700 -16.484  -6.686
  478    H3     U 205           H3         U 205  14.995 -16.465  -9.239
  479    H5     U 205           H5         U 205  14.195 -13.509  -6.383
  480    H6     U 205           H6         U 205  16.483 -13.823  -5.561
  481   1H5*    A 206          1H5*        A 206  21.054 -12.726  -7.964
  482   2H5*    A 206          2H5*        A 206  21.862 -11.346  -8.707
  483    H4*    A 206           H4*        A 206  20.113 -12.007 -10.163
  484    H3*    A 206           H3*        A 206  19.091  -9.589  -8.624
  485   1H2*    A 206          1H2*        A 206  17.553  -9.444 -10.338
  486   2HO*    A 206          2HO*        A 206  18.965 -10.957 -12.200
  487    H1*    A 206           H1*        A 206  17.715 -12.211 -11.134
  488    H8     A 206           H8         A 206  16.927 -11.150  -7.564
  489   1H6     A 206          1H6         A 206  10.943 -12.050  -9.090
  490   2H6     A 206          2H6         A 206  12.028 -11.670  -7.772
  491    H2     A 206           H2         A 206  13.406 -12.574 -12.752
  492   1H5*    G 207          1H5*        G 207  20.203  -8.323 -12.090
  493   2H5*    G 207          2H5*        G 207  20.335  -6.616 -12.509
  494    H4*    G 207           H4*        G 207  18.255  -7.503 -13.337
  495    H3*    G 207           H3*        G 207  17.662  -5.750 -10.921
  496   1H2*    G 207          1H2*        G 207  15.549  -5.599 -11.871
  497   2HO*    G 207          2HO*        G 207  15.956  -6.413 -14.401
  498    H1*    G 207           H1*        G 207  15.675  -8.118 -13.235
  499    H8     G 207           H8         G 207  16.459  -7.783  -9.523
  500    H1     G 207           H1         G 207  10.381  -9.542 -10.885
  501   1H2     G 207          1H2         G 207  10.085  -9.471 -12.925
  502   2H2     G 207          2H2         G 207  11.301  -9.004 -14.092
  503   1H5*    C 208          1H5*        C 208  18.419  -2.123 -13.889
  504   2H5*    C 208          2H5*        C 208  17.920  -0.743 -12.911
  505    H4*    C 208           H4*        C 208  16.384  -2.055 -14.781
  506    H3*    C 208           H3*        C 208  15.812  -0.062 -12.642
  507   1H2*    C 208          1H2*        C 208  13.674  -0.782 -12.361
  508   2HO*    C 208          2HO*        C 208  12.444  -0.711 -14.302
  509    H1*    C 208           H1*        C 208  13.729  -3.110 -14.128
  510   1H4     C 208          1H4         C 208  11.861  -5.512  -8.527
  511   2H4     C 208          2H4         C 208  13.452  -5.217  -7.863
  512    H5     C 208           H5         C 208  15.181  -4.112  -9.033
  513    H6     C 208           H6         C 208  15.815  -3.008 -11.149
  514   1H5*    G 209          1H5*        G 209  12.322   3.125 -16.050
  515   2H5*    G 209          2H5*        G 209  13.126   3.526 -14.533
  516    H4*    G 209           H4*        G 209  10.910   1.610 -15.076
  517    H3*    G 209           H3*        G 209  11.540   3.561 -12.836
  518   1H2*    G 209          1H2*        G 209   9.988   2.428 -11.568
  519   2HO*    G 209          2HO*        G 209   8.471   1.163 -13.376
  520    H1*    G 209           H1*        G 209  10.129  -0.050 -13.067
  521    H8     G 209           H8         G 209  13.166   1.501 -11.391
  522    H1     G 209           H1         G 209  10.138  -3.017  -7.884
  523   1H2     G 209          1H2         G 209   8.399  -3.580  -8.840
  524   2H2     G 209          2H2         G 209   7.845  -2.925 -10.364
  525   1H5*    G 210          1H5*        G 210  10.628   6.263 -11.376
  526   2H5*    G 210          2H5*        G 210  10.106   4.651 -11.861
  527    H4*    G 210           H4*        G 210   8.380   5.114 -10.490
  528    H3*    G 210           H3*        G 210   7.627   5.970 -13.172
  529   1H2*    G 210          1H2*        G 210   6.822   8.001 -12.417
  530   2HO*    G 210          2HO*        G 210   5.101   6.024 -11.222
  531    H1*    G 210           H1*        G 210   6.259   7.474  -9.622
  532    H8     G 210           H8         G 210   9.450   8.274 -11.617
  533    H1     G 210           H1         G 210   7.611  12.765  -7.334
  534   1H2     G 210          1H2         G 210   5.889  12.146  -6.385
  535   2H2     G 210          2H2         G 210   5.064  10.636  -6.701
  536   1H5*    A 211          1H5*        A 211   7.578   2.804 -11.171
  537   2H5*    A 211          2H5*        A 211   7.249   1.092 -11.437
  538    H4*    A 211           H4*        A 211   6.353   1.472  -9.341
  539    H3*    A 211           H3*        A 211   4.260   1.459 -11.443
  540   1H2*    A 211          1H2*        A 211   3.315   3.196 -10.128
  541   2HO*    A 211          2HO*        A 211   2.759   0.667  -8.865
  542    H1*    A 211           H1*        A 211   4.309   1.730  -7.638
  543    H8     A 211           H8         A 211   4.689   5.284  -9.027
  544   1H6     A 211          1H6         A 211   2.049   7.119  -3.677
  545   2H6     A 211          2H6         A 211   2.767   7.682  -5.170
  546    H2     A 211           H2         A 211   2.152   2.677  -3.725
  547   1H5*    G 212          1H5*        G 212   2.967  -3.219  -8.506
  548   2H5*    G 212          2H5*        G 212   3.656  -1.634  -8.155
  549    H4*    G 212           H4*        G 212   5.405  -4.022  -8.714
  550    H3*    G 212           H3*        G 212   3.755  -3.694  -6.357
  551   1H2*    G 212          1H2*        G 212   5.305  -2.858  -4.919
  552   2HO*    G 212          2HO*        G 212   6.395  -4.697  -4.523
  553    H1*    G 212           H1*        G 212   7.506  -2.633  -6.888
  554    H8     G 212           H8         G 212   4.434  -0.516  -5.958
  555    H1     G 212           H1         G 212  10.183   2.244  -4.860
  556   1H2     G 212          1H2         G 212  11.687   0.937  -5.387
  557   2H2     G 212          2H2         G 212  11.429  -0.670  -6.031
  558   1H5*    G 213          1H5*        G 213   2.342  -5.093  -8.061
  559   2H5*    G 213          2H5*        G 213   1.389  -6.494  -8.550
  560    H4*    G 213           H4*        G 213   2.633  -5.403 -10.404
  561    H3*    G 213           H3*        G 213   3.201  -8.304  -9.769
  562   1H2*    G 213          1H2*        G 213   4.830  -8.263 -11.355
  563   2HO*    G 213          2HO*        G 213   2.860  -6.663 -12.718
  564    H1*    G 213           H1*        G 213   5.084  -5.541 -12.029
  565    H8     G 213           H8         G 213   5.169  -6.784  -8.411
  566    H1     G 213           H1         G 213  10.954  -5.723 -11.110
  567   1H2     G 213          1H2         G 213  10.706  -5.210 -13.092
  568   2H2     G 213          2H2         G 213   9.160  -5.088 -13.903
  569   1H5*    C 214          1H5*        C 214   1.386 -10.129 -13.551
  570   2H5*    C 214          2H5*        C 214   1.924 -11.679 -12.904
  571    H4*    C 214           H4*        C 214   3.269 -10.214 -14.752
  572    H3*    C 214           H3*        C 214   4.470 -12.127 -12.718
  573   1H2*    C 214          1H2*        C 214   6.424 -11.986 -14.014
  574   2HO*    C 214          2HO*        C 214   6.048 -10.974 -16.227
  575    H1*    C 214           H1*        C 214   6.275  -9.280 -14.567
  576   1H4     C 214          1H4         C 214   9.633  -9.185  -9.169
  577   2H4     C 214          2H4         C 214   8.282  -9.851  -8.279
  578    H5     C 214           H5         C 214   6.231 -10.476  -9.271
  579    H6     C 214           H6         C 214   4.962 -10.617 -11.384
  580   1H5*    U 215          1H5*        U 215   5.030 -13.717 -16.309
  581   2H5*    U 215          2H5*        U 215   5.397 -15.435 -16.456
  582    H4*    U 215           H4*        U 215   7.256 -13.650 -16.843
  583    H3*    U 215           H3*        U 215   7.540 -16.266 -15.390
  584   1H2*    U 215          1H2*        U 215   9.471 -15.502 -14.459
  585   2HO*    U 215          2HO*        U 215  10.706 -14.482 -16.618
  586    H1*    U 215           H1*        U 215   9.691 -12.897 -15.767
  587    H3     U 215           H3         U 215  11.095 -11.663 -11.674
  588    H5     U 215           H5         U 215   7.201 -13.032 -10.967
  589    H6     U 215           H6         U 215   7.122 -13.721 -13.319
  590   1H5*    A 216          1H5*        A 216  10.613 -16.229 -18.359
  591   2H5*    A 216          2H5*        A 216  10.674 -17.775 -19.207
  592    H4*    A 216           H4*        A 216  12.847 -17.437 -18.421
  593    H3*    A 216           H3*        A 216  11.317 -19.447 -16.879
  594   1H2*    A 216          1H2*        A 216  12.748 -19.500 -15.071
  595   2HO*    A 216          2HO*        A 216  14.468 -19.916 -16.611
  596    H1*    A 216           H1*        A 216  13.667 -16.742 -15.528
  597    H8     A 216           H8         A 216  10.099 -17.549 -14.567
  598   1H6     A 216          1H6         A 216  11.807 -16.251  -8.707
  599   2H6     A 216          2H6         A 216  10.443 -16.626  -9.736
  600    H2     A 216           H2         A 216  15.446 -16.211 -11.257
  601   1H5*    G 217          1H5*        G 217  14.918 -21.491 -17.756
  602   2H5*    G 217          2H5*        G 217  14.793 -23.236 -17.539
  603    H4*    G 217           H4*        G 217  15.893 -22.090 -15.651
  604    H3*    G 217           H3*        G 217  13.240 -23.383 -14.913
  605   1H2*    G 217          1H2*        G 217  14.059 -23.309 -12.721
  606   2HO*    G 217          2HO*        G 217  16.038 -24.280 -13.183
  607    H1*    G 217           H1*        G 217  15.489 -20.871 -13.091
  608    H8     G 217           H8         G 217  11.871 -21.317 -14.222
  609    H1     G 217           H1         G 217  12.617 -18.493  -8.447
  610   1H2     G 217          1H2         G 217  14.613 -18.508  -7.926
  611   2H2     G 217          2H2         G 217  15.893 -19.185  -8.908
  612   1H5*    U 218          1H5*        U 218  16.164 -26.536 -13.177
  613   2H5*    U 218          2H5*        U 218  15.110 -27.945 -13.285
  614    H4*    U 218           H4*        U 218  15.833 -27.555 -10.997
  615    H3*    U 218           H3*        U 218  12.912 -27.302 -11.623
  616   1H2*    U 218          1H2*        U 218  12.411 -26.795  -9.383
  617   2HO*    U 218          2HO*        U 218  14.832 -27.007  -8.210
  618    H1*    U 218           H1*        U 218  14.751 -25.139  -9.105
  619    H3     U 218           H3         U 218  11.564 -22.093  -8.174
  620    H5     U 218           H5         U 218  10.839 -23.044 -12.188
  621    H6     U 218           H6         U 218  12.567 -24.771 -11.989
  622   1H5*    C 219          1H5*        C 219  13.472 -29.647  -8.693
  623   2H5*    C 219          2H5*        C 219  12.769 -31.231  -8.369
  624    H4*    C 219           H4*        C 219  12.041 -29.987  -6.570
  625    H3*    C 219           H3*        C 219   9.844 -29.799  -8.651
  626   1H2*    C 219          1H2*        C 219   8.521 -28.781  -7.017
  627   2HO*    C 219          2HO*        C 219  10.524 -29.894  -5.272
  628    H1*    C 219           H1*        C 219  10.563 -27.304  -5.796
  629   1H4     C 219          1H4         C 219   8.139 -23.025  -9.830
  630   2H4     C 219          2H4         C 219   8.652 -23.984 -11.201
  631    H5     C 219           H5         C 219   9.704 -26.091 -11.013
  632    H6     C 219           H6         C 219  10.532 -27.812  -9.448
  633   1H5*    C 220          1H5*        C 220   7.736 -32.130  -5.943
  634   2H5*    C 220          2H5*        C 220   7.322 -33.677  -6.681
  635    H4*    C 220           H4*        C 220   5.256 -32.951  -6.033
  636    H3*    C 220           H3*        C 220   5.699 -32.098  -8.862
  637   1H2*    C 220          1H2*        C 220   3.645 -30.932  -8.928
  638   2HO*    C 220          2HO*        C 220   3.301 -32.135  -6.331
  639    H1*    C 220           H1*        C 220   4.029 -29.671  -6.450
  640   1H4     C 220          1H4         C 220   6.165 -25.244 -10.488
  641   2H4     C 220          2H4         C 220   7.475 -26.290 -10.985
  642    H5     C 220           H5         C 220   7.767 -28.497 -10.200
  643    H6     C 220           H6         C 220   6.865 -30.264  -8.729
   
  No H/Q in entry =         643
  Start of MODEL   23
    1    H    MET   1           HN       MET   1  -1.107 -10.241   2.982
    2    HA   MET   1           HA       MET   1  -0.485 -12.354   2.518
    3   1HB   MET   1          2HB       MET   1  -0.816 -11.359  -0.169
    4   2HB   MET   1          3HB       MET   1   0.779 -12.083  -0.102
    5   1HG   MET   1          2HG       MET   1  -0.576 -13.931  -0.659
    6   2HG   MET   1          3HG       MET   1  -0.423 -14.106   1.078
    7   1HE   MET   1          3HE       MET   1  -2.066 -15.605   0.992
    8   2HE   MET   1          1HE       MET   1  -3.552 -15.065   1.809
    9   3HE   MET   1          2HE       MET   1  -3.588 -15.479   0.078
   10    H    GLN   2           HN       GLN   2   1.754 -13.445   2.186
   11    HA   GLN   2           HA       GLN   2   3.609 -12.298   3.671
   12   1HB   GLN   2          2HB       GLN   2   3.729 -14.280   1.427
   13   2HB   GLN   2          3HB       GLN   2   5.263 -13.633   1.974
   14   1HG   GLN   2          2HG       GLN   2   5.204 -15.105   3.697
   15   2HG   GLN   2          3HG       GLN   2   3.854 -14.204   4.360
   16   1HE2  GLN   2          1HE2      GLN   2   1.818 -14.977   4.246
   17   2HE2  GLN   2          2HE2      GLN   2   1.379 -16.533   3.624
   18    H    LYS   3           HN       LYS   3   3.356 -11.923   0.072
   19    HA   LYS   3           HA       LYS   3   3.957 -10.228  -1.230
   20   1HB   LYS   3          2HB       LYS   3   3.609  -8.933   1.172
   21   2HB   LYS   3          3HB       LYS   3   5.265  -8.517   0.781
   22   1HG   LYS   3          2HG       LYS   3   3.820  -8.282  -1.666
   23   2HG   LYS   3          3HG       LYS   3   2.794  -7.559  -0.443
   24   1HD   LYS   3          2HD       LYS   3   5.009  -6.349   0.348
   25   2HD   LYS   3          3HD       LYS   3   5.615  -6.777  -1.240
   26   1HE   LYS   3          2HE       LYS   3   3.446  -5.698  -2.187
   27   2HE   LYS   3          3HE       LYS   3   3.201  -5.038  -0.582
   28   1HZ   LYS   3          1HZ       LYS   3   5.733  -4.628  -2.069
   29   2HZ   LYS   3          2HZ       LYS   3   4.488  -3.584  -2.174
   30    H    GLY   4           HN       GLY   4   5.417 -12.248  -1.647
   31   1HA   GLY   4          1HA       GLY   4   8.069 -12.326  -0.785
   32   2HA   GLY   4          2HA       GLY   4   7.432 -13.031  -2.257
   33    H    ASN   5           HN       ASN   5   6.434 -10.366  -3.286
   34    HA   ASN   5           HA       ASN   5   8.645  -9.722  -4.781
   35   1HB   ASN   5          2HB       ASN   5   6.009  -9.132  -4.960
   36   2HB   ASN   5          3HB       ASN   5   6.536  -7.621  -4.246
   37   1HD2  ASN   5          2HD2      ASN   5   7.760  -6.267  -7.173
   38   2HD2  ASN   5          1HD2      ASN   5   7.205  -6.092  -5.542
   39    H    PHE   6           HN       PHE   6   7.801  -8.952  -1.511
   40    HA   PHE   6           HA       PHE   6   8.796  -6.373  -1.243
   41   1HB   PHE   6          2HB       PHE   6   7.441  -7.722   0.423
   42   2HB   PHE   6          3HB       PHE   6   8.797  -8.810   0.639
   43    HD1  PHE   6           HD1      PHE   6  10.961  -7.835   1.600
   44    HD2  PHE   6           HD2      PHE   6   7.245  -5.792   1.736
   45    HE1  PHE   6           HE1      PHE   6  11.824  -6.388   3.460
   46    HE2  PHE   6           HE2      PHE   6   8.109  -4.344   3.596
   47    HZ   PHE   6           HZ       PHE   6  10.388  -4.660   4.436
   48    H    ARG   7           HN       ARG   7  10.434  -9.347  -1.945
   49    HA   ARG   7           HA       ARG   7  12.793  -8.940  -0.590
   50   1HB   ARG   7          2HB       ARG   7  13.775 -10.418  -2.447
   51   2HB   ARG   7          3HB       ARG   7  12.387 -11.086  -1.612
   52   1HG   ARG   7          2HG       ARG   7  11.351 -11.308  -3.616
   53   2HG   ARG   7          3HG       ARG   7  11.277  -9.560  -3.726
   54   1HD   ARG   7          2HD       ARG   7  13.963 -10.412  -4.421
   55   2HD   ARG   7          3HD       ARG   7  12.820 -11.364  -5.346
   56    HE   ARG   7           HE       ARG   7  13.271  -8.468  -5.564
   57   1HH1  ARG   7          2HH2      ARG   7  11.044 -11.132  -6.276
   58   2HH1  ARG   7          1HH2      ARG   7  10.240 -10.281  -7.553
   59    HH2  ARG   7           HH1      ARG   7  10.941  -8.058  -8.108
   60    H    ASN   8           HN       ASN   8  11.354  -7.070  -3.059
   61    HA   ASN   8           HA       ASN   8  13.441  -6.411  -4.687
   62   1HB   ASN   8          2HB       ASN   8  12.184  -4.288  -5.100
   63   2HB   ASN   8          3HB       ASN   8  11.101  -5.664  -5.067
   64   1HD2  ASN   8          2HD2      ASN   8  10.061  -2.629  -2.916
   65   2HD2  ASN   8          1HD2      ASN   8  10.841  -2.721  -4.460
   66    H    GLN   9           HN       GLN   9  12.856  -5.719  -1.301
   67    HA   GLN   9           HA       GLN   9  14.202  -3.305  -1.078
   68   1HB   GLN   9          2HB       GLN   9  13.541  -5.546   0.849
   69   2HB   GLN   9          3HB       GLN   9  14.527  -4.199   1.382
   70   1HG   GLN   9          2HG       GLN   9  12.519  -2.813   0.157
   71   2HG   GLN   9          3HG       GLN   9  11.627  -4.249   0.619
   72   1HE2  GLN   9          2HE2      GLN   9  11.022  -2.424   3.576
   73   2HE2  GLN   9          1HE2      GLN   9  10.427  -2.863   2.010
   74    H    ARG  10           HN       ARG  10  15.362  -6.359  -2.009
   75    HA   ARG  10           HA       ARG  10  17.844  -6.252  -0.678
   76   1HB   ARG  10          2HB       ARG  10  18.412  -8.199  -2.001
   77   2HB   ARG  10          3HB       ARG  10  16.711  -8.349  -1.608
   78   1HG   ARG  10          2HG       ARG  10  16.400  -7.031  -3.925
   79   2HG   ARG  10          3HG       ARG  10  17.995  -7.674  -4.256
   80   1HD   ARG  10          2HD       ARG  10  16.916  -9.970  -3.410
   81   2HD   ARG  10          3HD       ARG  10  15.405  -9.173  -3.805
   82    HE   ARG  10           HE       ARG  10  17.355 -10.189  -5.693
   83   1HH1  ARG  10          2HH2      ARG  10  14.950  -7.625  -5.259
   84   2HH1  ARG  10          1HH2      ARG  10  14.683  -7.417  -6.959
   85    HH2  ARG  10           HH1      ARG  10  15.902  -8.774  -8.513
   86    H    LYS  11           HN       LYS  11  16.533  -4.280  -3.024
   87    HA   LYS  11           HA       LYS  11  19.186  -3.714  -4.138
   88   1HB   LYS  11          2HB       LYS  11  17.829  -4.919  -5.811
   89   2HB   LYS  11          3HB       LYS  11  16.568  -3.711  -5.670
   90   1HG   LYS  11          2HG       LYS  11  17.976  -1.975  -6.573
   91   2HG   LYS  11          3HG       LYS  11  19.428  -2.936  -6.368
   92   1HD   LYS  11          2HD       LYS  11  19.170  -3.849  -8.425
   93   2HD   LYS  11          3HD       LYS  11  17.578  -4.445  -8.001
   94   1HE   LYS  11          2HE       LYS  11  17.004  -3.015  -9.745
   95   2HE   LYS  11          3HE       LYS  11  16.852  -1.904  -8.398
   96   1HZ   LYS  11          1HZ       LYS  11  19.289  -2.180 -10.077
   97   2HZ   LYS  11          2HZ       LYS  11  18.209  -0.967 -10.198
   98    H    THR  12           HN       THR  12  18.090  -2.593  -1.760
   99    HA   THR  12           HA       THR  12  17.257  -0.678  -0.873
  100    HB   THR  12           HB       THR  12  19.783  -0.477  -1.535
  101    HG1  THR  12           HG1      THR  12  17.881   1.725  -1.187
  102   1HG2  THR  12          3HG2      THR  12  18.582   0.559  -3.931
  103   2HG2  THR  12          1HG2      THR  12  19.266   1.946  -3.051
  104   3HG2  THR  12          2HG2      THR  12  20.308   0.572  -3.494
  105    H    VAL  13           HN       VAL  13  15.337  -1.492  -2.627
  106    HA   VAL  13           HA       VAL  13  14.623  -0.063  -4.753
  107    HB   VAL  13           HB       VAL  13  12.257  -0.264  -3.876
  108   1HG1  VAL  13          3HG1      VAL  13  14.212  -2.362  -4.466
  109   2HG1  VAL  13          1HG1      VAL  13  12.828  -2.953  -3.516
  110   3HG1  VAL  13          2HG1      VAL  13  12.555  -2.136  -5.074
  111   1HG2  VAL  13          1HG2      VAL  13  13.725  -1.443  -1.496
  112   2HG2  VAL  13          2HG2      VAL  13  12.624  -0.044  -1.506
  113   3HG2  VAL  13          3HG2      VAL  13  11.991  -1.677  -1.824
  114    H    LYS  14           HN       LYS  14  13.324   1.884  -5.150
  115    HA   LYS  14           HA       LYS  14  13.929   3.932  -3.138
  116   1HB   LYS  14          2HB       LYS  14  14.246   5.473  -4.843
  117   2HB   LYS  14          3HB       LYS  14  14.958   4.015  -5.503
  118   1HG   LYS  14          2HG       LYS  14  12.255   3.818  -6.257
  119   2HG   LYS  14          3HG       LYS  14  12.601   5.528  -6.428
  120   1HD   LYS  14          2HD       LYS  14  14.846   4.039  -7.489
  121   2HD   LYS  14          3HD       LYS  14  13.375   3.378  -8.176
  122   1HE   LYS  14          2HE       LYS  14  13.147   5.177  -9.539
  123   2HE   LYS  14          3HE       LYS  14  13.153   6.266  -8.166
  124   1HZ   LYS  14          1HZ       LYS  14  15.651   6.061  -8.214
  125   2HZ   LYS  14          2HZ       LYS  14  15.531   5.268  -9.631
  126    H    CYS  15           HN       CYS  15  12.297   5.368  -2.455
  127    HA   CYS  15           HA       CYS  15   9.671   4.256  -2.672
  128   1HB   CYS  15          2HB       CYS  15  10.502   5.136  -0.529
  129   2HB   CYS  15          3HB       CYS  15  10.658   6.736  -1.224
  130    H    PHE  16           HN       PHE  16   8.339   4.740  -4.381
  131    HA   PHE  16           HA       PHE  16   8.978   6.974  -6.065
  132   1HB   PHE  16          2HB       PHE  16   6.959   4.685  -5.933
  133   2HB   PHE  16          3HB       PHE  16   6.694   5.977  -7.088
  134    HD1  PHE  16           HD1      PHE  16   9.450   6.547  -7.984
  135    HD2  PHE  16           HD2      PHE  16   7.527   2.840  -7.227
  136    HE1  PHE  16           HE1      PHE  16  10.994   5.415  -9.607
  137    HE2  PHE  16           HE2      PHE  16   9.071   1.708  -8.851
  138    HZ   PHE  16           HZ       PHE  16  10.786   3.008 -10.021
  139    H    ASN  17           HN       ASN  17   7.771   7.115  -3.120
  140    HA   ASN  17           HA       ASN  17   5.476   8.745  -3.850
  141   1HB   ASN  17          2HB       ASN  17   5.409   6.792  -2.064
  142   2HB   ASN  17          3HB       ASN  17   6.227   7.930  -1.012
  143   1HD2  ASN  17          2HD2      ASN  17   3.019   8.857   0.041
  144   2HD2  ASN  17          1HD2      ASN  17   4.479   7.990   0.386
  145    H    CYS  18           HN       CYS  18   8.419   8.564  -1.719
  146    HA   CYS  18           HA       CYS  18   8.314  11.470  -1.458
  147   1HB   CYS  18          2HB       CYS  18   9.902  11.159   0.422
  148   2HB   CYS  18          3HB       CYS  18   8.373  10.340   0.675
  149    H    GLY  19           HN       GLY  19  10.328   8.633  -2.401
  150   1HA   GLY  19          1HA       GLY  19  11.745   8.743  -4.286
  151   2HA   GLY  19          2HA       GLY  19  12.008  10.451  -3.997
  152    H    LYS  20           HN       LYS  20  12.002   8.060  -1.343
  153    HA   LYS  20           HA       LYS  20  14.878   8.568  -1.044
  154   1HB   LYS  20          2HB       LYS  20  12.676   8.796   0.778
  155   2HB   LYS  20          3HB       LYS  20  13.733   7.520   1.348
  156   1HG   LYS  20          2HG       LYS  20  14.830   9.333   2.287
  157   2HG   LYS  20          3HG       LYS  20  15.654   9.295   0.741
  158   1HD   LYS  20          2HD       LYS  20  14.976  11.436   0.421
  159   2HD   LYS  20          3HD       LYS  20  13.347  10.822   0.220
  160   1HE   LYS  20          2HE       LYS  20  13.531  10.848   2.970
  161   2HE   LYS  20          3HE       LYS  20  14.581  12.193   2.571
  162   1HZ   LYS  20          1HZ       LYS  20  12.820  13.412   1.865
  163   2HZ   LYS  20          2HZ       LYS  20  12.098  12.177   1.088
  164    H