NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
5155 1ght 4269 cing 1-original 2 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          1HT       MET   1  -2.488  15.506   4.218
    2    HA   MET   1           HA       MET   1  -2.272  13.236   4.162
    3   1HB   MET   1          2HB       MET   1  -0.344  14.342   5.328
    4   2HB   MET   1          1HB       MET   1  -1.116  13.968   6.868
    5   1HG   MET   1          2HG       MET   1  -1.190  11.520   5.940
    6   2HG   MET   1          1HG       MET   1   0.075  12.086   4.849
    7   1HE   MET   1          1HE       MET   1   0.981   9.792   6.417
    8   2HE   MET   1          2HE       MET   1  -0.347  10.022   7.552
    9   3HE   MET   1          3HE       MET   1   1.310   9.962   8.147
   10    H    ARG   2           H        ARG   2  -3.088  11.234   4.773
   11    HA   ARG   2           HA       ARG   2  -4.538  10.994   7.345
   12   1HB   ARG   2          2HB       ARG   2  -5.798  11.069   4.654
   13   2HB   ARG   2          1HB       ARG   2  -6.366   9.803   5.743
   14   1HG   ARG   2          2HG       ARG   2  -7.374  11.284   7.150
   15   2HG   ARG   2          1HG       ARG   2  -6.077  12.469   6.991
   16   1HD   ARG   2          2HD       ARG   2  -6.969  12.904   4.628
   17   2HD   ARG   2          1HD       ARG   2  -8.397  11.990   5.114
   18    HE   ARG   2           HE       ARG   2  -8.125  13.848   7.132
   19   1HH1  ARG   2          1HH2      ARG   2  -8.265  14.058   3.643
   20   2HH1  ARG   2          2HH2      ARG   2  -8.978  15.633   3.668
   21   1HH2  ARG   2          1HH1      ARG   2  -9.047  15.883   7.116
   22   2HH2  ARG   2          2HH1      ARG   2  -9.417  16.658   5.613
   23    H    LEU   3           H        LEU   3  -5.305   8.637   7.604
   24    HA   LEU   3           HA       LEU   3  -3.189   6.852   6.484
   25   1HB   LEU   3          2HB       LEU   3  -4.930   6.421   8.930
   26   2HB   LEU   3          1HB       LEU   3  -3.549   5.442   8.432
   27    HG   LEU   3           HG       LEU   3  -2.361   7.863   8.500
   28   1HD1  LEU   3          1HD1      LEU   3  -4.660   7.951  10.465
   29   2HD1  LEU   3          2HD1      LEU   3  -4.238   9.145   9.237
   30   3HD1  LEU   3          3HD1      LEU   3  -3.212   8.940  10.657
   31   1HD2  LEU   3          1HD2      LEU   3  -2.868   6.106  10.924
   32   2HD2  LEU   3          2HD2      LEU   3  -1.519   7.223  10.723
   33   3HD2  LEU   3          3HD2      LEU   3  -1.649   5.800   9.688
   34    H    PHE   4           H        PHE   4  -4.427   6.516   4.504
   35    HA   PHE   4           HA       PHE   4  -7.073   5.254   4.691
   36   1HB   PHE   4          2HB       PHE   4  -5.216   5.998   2.435
   37   2HB   PHE   4          1HB       PHE   4  -6.597   4.941   2.144
   38    HD1  PHE   4           1HD      PHE   4  -5.543   8.324   3.187
   39    HD2  PHE   4           2HD      PHE   4  -8.875   5.765   2.289
   40    HE1  PHE   4           1HE      PHE   4  -7.042  10.300   3.118
   41    HE2  PHE   4           2HE      PHE   4 -10.373   7.741   2.222
   42    HZ   PHE   4           HZ       PHE   4  -9.457  10.008   2.636
   43    H    GLY   5           H        GLY   5  -7.490   3.045   4.286
   44   1HA   GLY   5          2HA       GLY   5  -5.094   1.286   3.990
   45   2HA   GLY   5          1HA       GLY   5  -6.306   0.943   5.221
   46    H    TYR   6           H        TYR   6  -5.337  -0.196   2.417
   47    HA   TYR   6           HA       TYR   6  -7.994  -0.505   1.132
   48   1HB   TYR   6          2HB       TYR   6  -6.069   0.023  -0.312
   49   2HB   TYR   6          1HB       TYR   6  -5.214  -1.395   0.287
   50    HD1  TYR   6           1HD      TYR   6  -8.739  -0.801  -0.894
   51    HD2  TYR   6           2HD      TYR   6  -5.098  -3.037  -1.337
   52    HE1  TYR   6           1HE      TYR   6  -9.808  -2.200  -2.643
   53    HE2  TYR   6           2HE      TYR   6  -6.166  -4.436  -3.082
   54    HH   TYR   6           HH       TYR   6  -8.227  -3.981  -4.788
   55    H    ALA   7           H        ALA   7  -9.121  -2.442   1.234
   56    HA   ALA   7           HA       ALA   7  -7.731  -4.808   2.399
   57   1HB   ALA   7          1HB       ALA   7 -10.017  -3.296   3.545
   58   2HB   ALA   7          2HB       ALA   7  -8.783  -4.259   4.357
   59   3HB   ALA   7          3HB       ALA   7 -10.154  -5.054   3.584
   60    H    ARG   8           H        ARG   8  -8.854  -6.822   1.981
   61    HA   ARG   8           HA       ARG   8 -11.131  -6.854   0.134
   62   1HB   ARG   8          2HB       ARG   8  -9.167  -6.541  -1.393
   63   2HB   ARG   8          1HB       ARG   8  -8.467  -8.025  -0.743
   64   1HG   ARG   8          2HG       ARG   8 -10.010  -9.379  -1.793
   65   2HG   ARG   8          1HG       ARG   8 -11.280  -8.158  -1.728
   66   1HD   ARG   8          2HD       ARG   8 -10.645  -8.363  -4.031
   67   2HD   ARG   8          1HD       ARG   8  -9.955  -6.846  -3.453
   68    HE   ARG   8           HE       ARG   8  -7.911  -8.624  -3.020
   69   1HH1  ARG   8          1HH2      ARG   8  -9.910  -7.919  -5.805
   70   2HH1  ARG   8          2HH2      ARG   8  -8.679  -8.381  -6.927
   71   1HH2  ARG   8          1HH1      ARG   8  -6.347  -9.201  -4.512
   72   2HH2  ARG   8          2HH1      ARG   8  -6.686  -9.096  -6.207
   73    H    VAL   9           H        VAL   9 -12.327  -8.657   0.649
   74    HA   VAL   9           HA       VAL   9 -11.187 -10.503   2.618
   75    HB   VAL   9           HB       VAL   9 -13.460 -11.423   2.780
   76   1HG1  VAL   9          1HG1      VAL   9 -13.807  -8.444   2.605
   77   2HG1  VAL   9          2HG1      VAL   9 -12.692  -9.130   3.785
   78   3HG1  VAL   9          3HG1      VAL   9 -14.401  -9.563   3.833
   79   1HG2  VAL   9          1HG2      VAL   9 -14.561 -11.423   0.775
   80   2HG2  VAL   9          2HG2      VAL   9 -13.751  -9.963   0.214
   81   3HG2  VAL   9          3HG2      VAL   9 -15.123  -9.840   1.314
   82    H    SER  10           H        SER  10 -10.908 -12.707   2.370
   83    HA   SER  10           HA       SER  10 -11.036 -13.740  -0.435
   84   1HB   SER  10          2HB       SER  10  -8.717 -13.342   0.777
   85   2HB   SER  10          1HB       SER  10  -9.117 -14.854   1.587
   86    HG   SER  10           HG       SER  10  -8.636 -15.854  -0.188
   87    H    THR  11           H        THR  11 -11.309 -14.514   3.023
   88    HA   THR  11           HA       THR  11 -12.411 -17.173   2.445
   89    HB   THR  11           HB       THR  11 -10.995 -16.882   4.436
   90    HG1  THR  11           1HG      THR  11 -12.215 -18.228   5.478
   91   1HG2  THR  11          1HG2      THR  11 -13.154 -14.935   5.291
   92   2HG2  THR  11          2HG2      THR  11 -11.457 -14.563   4.984
   93   3HG2  THR  11          3HG2      THR  11 -11.904 -15.561   6.365
   94    H    SER  12           H        SER  12 -14.559 -17.726   3.632
   95    HA   SER  12           HA       SER  12 -16.498 -15.514   3.086
   96   1HB   SER  12          2HB       SER  12 -16.590 -18.468   2.602
   97   2HB   SER  12          1HB       SER  12 -18.098 -17.629   2.949
   98    HG   SER  12           HG       SER  12 -17.034 -17.789   0.652
   99    H    GLN  13           H        GLN  13 -15.443 -15.353   5.547
  100    HA   GLN  13           HA       GLN  13 -17.624 -16.400   7.301
  101   1HB   GLN  13          2HB       GLN  13 -15.510 -17.722   7.611
  102   2HB   GLN  13          1HB       GLN  13 -14.697 -16.230   8.082
  103   1HG   GLN  13          2HG       GLN  13 -16.012 -15.991  10.034
  104   2HG   GLN  13          1HG       GLN  13 -17.223 -17.137   9.460
  105   1HE2  GLN  13          1HE2      GLN  13 -16.942 -18.516  11.370
  106   2HE2  GLN  13          2HE2      GLN  13 -15.550 -19.466  11.566
  107    H    GLN  14           H        GLN  14 -14.809 -14.196   7.333
  108    HA   GLN  14           HA       GLN  14 -16.371 -11.824   7.713
  109   1HB   GLN  14          2HB       GLN  14 -15.711 -11.370  10.091
  110   2HB   GLN  14          1HB       GLN  14 -16.832 -12.722   9.933
  111   1HG   GLN  14          2HG       GLN  14 -14.902 -14.294   9.993
  112   2HG   GLN  14          1HG       GLN  14 -13.823 -12.922  10.250
  113   1HE2  GLN  14          1HE2      GLN  14 -14.334 -15.156  12.149
  114   2HE2  GLN  14          2HE2      GLN  14 -14.958 -14.442  13.557
  115    H    SER  15           H        SER  15 -14.211 -12.657   6.103
  116    HA   SER  15           HA       SER  15 -11.635 -11.906   7.007
  117   1HB   SER  15          2HB       SER  15 -11.964 -11.169   4.242
  118   2HB   SER  15          1HB       SER  15 -11.079 -12.527   4.920
  119    HG   SER  15           HG       SER  15 -12.762 -13.223   3.559
  120    H    LEU  16           H        LEU  16 -14.300  -9.911   5.796
  121    HA   LEU  16           HA       LEU  16 -12.828  -7.496   5.399
  122   1HB   LEU  16          2HB       LEU  16 -15.070  -7.626   4.554
  123   2HB   LEU  16          1HB       LEU  16 -15.725  -8.002   6.142
  124    HG   LEU  16           HG       LEU  16 -14.216  -5.480   6.102
  125   1HD1  LEU  16          1HD1      LEU  16 -16.808  -5.583   4.540
  126   2HD1  LEU  16          2HD1      LEU  16 -15.220  -5.543   3.776
  127   3HD1  LEU  16          3HD1      LEU  16 -15.752  -4.192   4.776
  128   1HD2  LEU  16          1HD2      LEU  16 -16.662  -4.824   6.961
  129   2HD2  LEU  16          2HD2      LEU  16 -15.531  -5.705   7.989
  130   3HD2  LEU  16          3HD2      LEU  16 -16.802  -6.575   7.128
  131    H    ASP  17           H        ASP  17 -14.396  -8.849   8.296
  132    HA   ASP  17           HA       ASP  17 -13.775  -6.626  10.021
  133   1HB   ASP  17          2HB       ASP  17 -15.321  -8.824  10.313
  134   2HB   ASP  17          1HB       ASP  17 -13.883  -9.368  11.174
  135    H    ILE  18           H        ILE  18 -12.202  -9.777   9.475
  136    HA   ILE  18           HA       ILE  18  -9.970  -9.363  11.198
  137    HB   ILE  18           HB       ILE  18 -10.073 -10.984   8.630
  138   1HG1  ILE  18          2HG1      ILE  18 -10.411 -12.239  11.308
  139   2HG1  ILE  18          1HG1      ILE  18 -11.777 -11.302  10.706
  140   1HG2  ILE  18          1HG2      ILE  18  -7.798 -10.671   9.483
  141   2HG2  ILE  18          2HG2      ILE  18  -8.318 -12.331   9.775
  142   3HG2  ILE  18          3HG2      ILE  18  -8.312 -11.163  11.096
  143   1HD1  ILE  18          1HD1      ILE  18 -12.192 -12.754   8.980
  144   2HD1  ILE  18          2HD1      ILE  18 -11.414 -13.897  10.073
  145   3HD1  ILE  18          3HD1      ILE  18 -10.487 -13.154   8.770
  146    H    GLN  19           H        GLN  19 -10.510  -8.532   7.790
  147    HA   GLN  19           HA       GLN  19  -7.843  -7.645   7.228
  148   1HB   GLN  19          2HB       GLN  19 -10.540  -7.141   6.006
  149   2HB   GLN  19          1HB       GLN  19  -9.161  -6.177   5.484
  150   1HG   GLN  19          2HG       GLN  19  -8.691  -9.103   5.658
  151   2HG   GLN  19          1HG       GLN  19  -9.791  -8.576   4.383
  152   1HE2  GLN  19          1HE2      GLN  19  -6.515  -9.035   5.089
  153   2HE2  GLN  19          2HE2      GLN  19  -5.854  -8.057   3.869
  154    H    VAL  20           H        VAL  20 -10.782  -5.772   8.076
  155    HA   VAL  20           HA       VAL  20  -9.660  -3.207   8.256
  156    HB   VAL  20           HB       VAL  20 -11.745  -4.413  10.101
  157   1HG1  VAL  20          1HG1      VAL  20 -10.728  -1.649   9.634
  158   2HG1  VAL  20          2HG1      VAL  20 -11.339  -2.387  11.115
  159   3HG1  VAL  20          3HG1      VAL  20 -12.465  -1.848   9.870
  160   1HG2  VAL  20          1HG2      VAL  20 -12.521  -2.683   7.822
  161   2HG2  VAL  20          2HG2      VAL  20 -13.295  -4.139   8.445
  162   3HG2  VAL  20          3HG2      VAL  20 -11.895  -4.272   7.384
  163    H    ARG  21           H        ARG  21  -9.852  -5.659  10.855
  164    HA   ARG  21           HA       ARG  21  -8.444  -4.182  12.849
  165   1HB   ARG  21          2HB       ARG  21  -8.213  -7.180  12.481
  166   2HB   ARG  21          1HB       ARG  21  -8.129  -6.266  13.984
  167   1HG   ARG  21          2HG       ARG  21 -10.638  -5.652  12.763
  168   2HG   ARG  21          1HG       ARG  21 -10.441  -7.402  12.705
  169   1HD   ARG  21          2HD       ARG  21 -11.368  -7.162  14.816
  170   2HD   ARG  21          1HD       ARG  21  -9.653  -7.074  15.213
  171    HE   ARG  21           HE       ARG  21 -10.383  -4.438  14.713
  172   1HH1  ARG  21          1HH2      ARG  21 -11.479  -6.970  16.863
  173   2HH1  ARG  21          2HH2      ARG  21 -11.994  -5.853  18.078
  174   1HH2  ARG  21          1HH1      ARG  21 -11.062  -3.029  16.313
  175   2HH2  ARG  21          2HH1      ARG  21 -11.763  -3.646  17.772
  176    H    ALA  22           H        ALA  22  -7.354  -6.044  10.079
  177    HA   ALA  22           HA       ALA  22  -4.555  -6.103  10.816
  178   1HB   ALA  22          1HB       ALA  22  -5.430  -6.160   7.953
  179   2HB   ALA  22          2HB       ALA  22  -5.934  -7.483   9.006
  180   3HB   ALA  22          3HB       ALA  22  -4.219  -7.147   8.772
  181    H    LEU  23           H        LEU  23  -6.586  -3.951   8.836
  182    HA   LEU  23           HA       LEU  23  -4.385  -2.268   7.985
  183   1HB   LEU  23          2HB       LEU  23  -7.214  -1.254   8.243
  184   2HB   LEU  23          1HB       LEU  23  -5.999  -0.828   7.047
  185    HG   LEU  23           HG       LEU  23  -7.581  -3.406   7.218
  186   1HD1  LEU  23          1HD1      LEU  23  -7.872  -2.517   4.704
  187   2HD1  LEU  23          2HD1      LEU  23  -7.578  -0.975   5.509
  188   3HD1  LEU  23          3HD1      LEU  23  -8.926  -1.992   6.017
  189   1HD2  LEU  23          1HD2      LEU  23  -5.212  -2.690   5.463
  190   2HD2  LEU  23          2HD2      LEU  23  -6.309  -4.029   5.124
  191   3HD2  LEU  23          3HD2      LEU  23  -5.329  -4.042   6.590
  192    H    LYS  24           H        LYS  24  -6.808  -2.066  10.592
  193    HA   LYS  24           HA       LYS  24  -5.946   0.442  11.658
  194   1HB   LYS  24          2HB       LYS  24  -7.808  -1.633  12.365
  195   2HB   LYS  24          1HB       LYS  24  -6.857  -1.236  13.794
  196   1HG   LYS  24          2HG       LYS  24  -8.576   0.335  13.928
  197   2HG   LYS  24          1HG       LYS  24  -7.332   1.248  13.075
  198   1HD   LYS  24          2HD       LYS  24  -9.291   1.609  11.796
  199   2HD   LYS  24          1HD       LYS  24  -8.421   0.356  10.911
  200   1HE   LYS  24          2HE       LYS  24 -10.859  -0.152  11.190
  201   2HE   LYS  24          1HE       LYS  24  -9.808  -1.378  11.900
  202   1HZ   LYS  24          1HZ       LYS  24 -11.780  -0.437  13.260
  203   2HZ   LYS  24          2HZ       LYS  24 -10.738   0.873  13.547
  204   3HZ   LYS  24          3HZ       LYS  24 -10.288  -0.695  14.024
  205    H    ASP  25           H        ASP  25  -4.993  -2.904  12.450
  206    HA   ASP  25           HA       ASP  25  -3.138  -2.284  14.514
  207   1HB   ASP  25          2HB       ASP  25  -4.040  -4.583  13.570
  208   2HB   ASP  25          1HB       ASP  25  -2.606  -4.490  12.559
  209    H    ALA  26           H        ALA  26  -2.927  -2.282  11.022
  210    HA   ALA  26           HA       ALA  26  -0.077  -1.902  10.813
  211   1HB   ALA  26          1HB       ALA  26  -1.818  -2.664   9.030
  212   2HB   ALA  26          2HB       ALA  26  -0.503  -1.610   8.511
  213   3HB   ALA  26          3HB       ALA  26  -2.108  -0.940   8.804
  214    H    GLY  27           H        GLY  27  -2.867   0.224  11.157
  215   1HA   GLY  27          2HA       GLY  27  -2.293   2.396  12.368
  216   2HA   GLY  27          1HA       GLY  27  -1.023   2.583  11.154
  217    H    VAL  28           H        VAL  28  -4.372   1.463  10.818
  218    HA   VAL  28           HA       VAL  28  -4.825   3.673   8.856
  219    HB   VAL  28           HB       VAL  28  -5.922   0.841   8.870
  220   1HG1  VAL  28          1HG1      VAL  28  -6.213   2.805   6.609
  221   2HG1  VAL  28          2HG1      VAL  28  -7.377   2.815   7.932
  222   3HG1  VAL  28          3HG1      VAL  28  -7.168   1.364   6.956
  223   1HG2  VAL  28          1HG2      VAL  28  -3.439   1.605   8.108
  224   2HG2  VAL  28          2HG2      VAL  28  -4.322   1.909   6.612
  225   3HG2  VAL  28          3HG2      VAL  28  -4.329   0.296   7.327
  226    H    LYS  29           H        LYS  29  -6.832   4.733   8.971
  227    HA   LYS  29           HA       LYS  29  -8.205   4.540  11.563
  228   1HB   LYS  29          2HB       LYS  29  -7.876   6.523   9.475
  229   2HB   LYS  29          1HB       LYS  29  -9.586   6.336   9.856
  230   1HG   LYS  29          2HG       LYS  29  -9.345   7.166  11.974
  231   2HG   LYS  29          1HG       LYS  29  -7.747   6.448  12.184
  232   1HD   LYS  29          2HD       LYS  29  -6.664   8.263  11.307
  233   2HD   LYS  29          1HD       LYS  29  -7.951   8.603  10.150
  234   1HE   LYS  29          2HE       LYS  29  -9.262   9.729  11.757
  235   2HE   LYS  29          1HE       LYS  29  -8.367   9.028  13.106
  236   1HZ   LYS  29          1HZ       LYS  29  -7.878  11.437  12.434
  237   2HZ   LYS  29          2HZ       LYS  29  -7.016  10.759  11.136
  238   3HZ   LYS  29          3HZ       LYS  29  -6.565  10.407  12.736
  239    H    ALA  30           H        ALA  30 -10.297   3.757  11.866
  240    HA   ALA  30           HA       ALA  30 -11.308   1.804  10.037
  241   1HB   ALA  30          1HB       ALA  30 -12.262   3.086  12.545
  242   2HB   ALA  30          2HB       ALA  30 -12.146   1.377  12.129
  243   3HB   ALA  30          3HB       ALA  30 -13.493   2.341  11.524
  244    H    ASN  31           H        ASN  31 -11.984   5.231  10.474
  245    HA   ASN  31           HA       ASN  31 -14.342   5.369   8.862
  246   1HB   ASN  31          2HB       ASN  31 -12.798   7.149  10.357
  247   2HB   ASN  31          1HB       ASN  31 -12.618   7.732   8.704
  248   1HD2  ASN  31          1HD2      ASN  31 -15.262   6.497  10.835
  249   2HD2  ASN  31          2HD2      ASN  31 -16.410   7.631  10.311
  250    H    ARG  32           H        ARG  32 -10.938   5.148   8.082
  251    HA   ARG  32           HA       ARG  32 -11.599   5.557   5.195
  252   1HB   ARG  32          2HB       ARG  32  -8.777   5.564   6.239
  253   2HB   ARG  32          1HB       ARG  32  -9.429   6.350   4.804
  254   1HG   ARG  32          2HG       ARG  32 -10.797   7.805   6.438
  255   2HG   ARG  32          1HG       ARG  32  -9.720   7.193   7.692
  256   1HD   ARG  32          2HD       ARG  32  -8.053   8.559   7.037
  257   2HD   ARG  32          1HD       ARG  32  -8.226   8.080   5.351
  258    HE   ARG  32           HE       ARG  32  -9.477  10.035   4.993
  259   1HH1  ARG  32          1HH2      ARG  32  -9.426   9.269   8.406
  260   2HH1  ARG  32          2HH2      ARG  32 -10.244  10.727   8.849
  261   1HH2  ARG  32          1HH1      ARG  32 -10.536  11.908   5.610
  262   2HH2  ARG  32          2HH1      ARG  32 -10.867  12.207   7.284
  263    H    ILE  33           H        ILE  33 -12.415   3.206   5.647
  264    HA   ILE  33           HA       ILE  33 -10.141   1.311   5.194
  265    HB   ILE  33           HB       ILE  33 -12.860   0.774   6.436
  266   1HG1  ILE  33          2HG1      ILE  33 -11.276   2.033   7.882
  267   2HG1  ILE  33          1HG1      ILE  33 -11.605   0.419   8.506
  268   1HG2  ILE  33          1HG2      ILE  33 -11.252  -1.398   6.982
  269   2HG2  ILE  33          2HG2      ILE  33 -10.776  -0.991   5.333
  270   3HG2  ILE  33          3HG2      ILE  33 -12.464  -1.338   5.701
  271   1HD1  ILE  33          1HD1      ILE  33  -9.208   0.870   8.644
  272   2HD1  ILE  33          2HD1      ILE  33  -9.158   1.268   6.927
  273   3HD1  ILE  33          3HD1      ILE  33  -9.497  -0.385   7.439
  274    H    PHE  34           H        PHE  34 -10.238   1.662   2.891
  275    HA   PHE  34           HA       PHE  34 -12.751   1.169   1.462
  276   1HB   PHE  34          2HB       PHE  34  -9.938   1.860   0.681
  277   2HB   PHE  34          1HB       PHE  34 -11.016   1.175  -0.537
  278    HD1  PHE  34           1HD      PHE  34 -13.181   2.311  -1.074
  279    HD2  PHE  34           2HD      PHE  34 -10.237   4.096   1.495
  280    HE1  PHE  34           1HE      PHE  34 -14.287   4.516  -1.339
  281    HE2  PHE  34           2HE      PHE  34 -11.342   6.300   1.229
  282    HZ   PHE  34           HZ       PHE  34 -13.367   6.509  -0.184
  283    H    THR  35           H        THR  35 -12.986  -0.992   2.515
  284    HA   THR  35           HA       THR  35 -11.158  -3.131   1.747
  285    HB   THR  35           HB       THR  35 -12.376  -3.271   3.860
  286    HG1  THR  35           1HG      THR  35 -12.848  -5.349   3.636
  287   1HG2  THR  35          1HG2      THR  35 -15.003  -3.869   2.748
  288   2HG2  THR  35          2HG2      THR  35 -14.506  -2.220   2.387
  289   3HG2  THR  35          3HG2      THR  35 -14.569  -2.775   4.059
  290    H    ASP  36           H        ASP  36 -12.354  -5.190   0.792
  291    HA   ASP  36           HA       ASP  36 -14.156  -4.401  -1.446
  292   1HB   ASP  36          2HB       ASP  36 -11.425  -5.609  -1.622
  293   2HB   ASP  36          1HB       ASP  36 -12.651  -6.178  -2.753
  294    H    LYS  37           H        LYS  37 -15.940  -5.598  -0.896
  295    HA   LYS  37           HA       LYS  37 -15.763  -8.156   0.457
  296   1HB   LYS  37          2HB       LYS  37 -18.088  -6.829  -0.975
  297   2HB   LYS  37          1HB       LYS  37 -18.217  -8.257   0.054
  298   1HG   LYS  37          2HG       LYS  37 -17.114  -5.588   0.978
  299   2HG   LYS  37          1HG       LYS  37 -18.775  -6.116   1.241
  300   1HD   LYS  37          2HD       LYS  37 -17.095  -8.251   2.102
  301   2HD   LYS  37          1HD       LYS  37 -16.415  -6.769   2.766
  302   1HE   LYS  37          2HE       LYS  37 -17.968  -7.210   4.407
  303   2HE   LYS  37          1HE       LYS  37 -18.992  -6.287   3.309
  304   1HZ   LYS  37          1HZ       LYS  37 -19.935  -8.454   4.071
  305   2HZ   LYS  37          2HZ       LYS  37 -18.716  -9.236   3.183
  306   3HZ   LYS  37          3HZ       LYS  37 -19.863  -8.266   2.387
  307    H    ALA  38           H        ALA  38 -14.146  -8.846  -1.369
  308    HA   ALA  38           HA       ALA  38 -15.008  -9.540  -3.975
  309   1HB   ALA  38          1HB       ALA  38 -13.142 -11.173  -3.945
  310   2HB   ALA  38          2HB       ALA  38 -12.994 -10.954  -2.200
  311   3HB   ALA  38          3HB       ALA  38 -12.648  -9.611  -3.290
  312    H    SER  39           H        SER  39 -15.726 -11.027  -0.902
  313    HA   SER  39           HA       SER  39 -16.449 -13.634  -1.924
  314   1HB   SER  39          2HB       SER  39 -16.781 -12.154   0.647
  315   2HB   SER  39          1HB       SER  39 -17.859 -13.515   0.350
  316    HG   SER  39           HG       SER  39 -16.097 -14.426   1.237
  317    H    GLY  40           H        GLY  40 -17.652 -12.453  -3.804
  318   1HA   GLY  40          2HA       GLY  40 -20.538 -12.487  -3.121
  319   2HA   GLY  40          1HA       GLY  40 -19.909 -11.060  -3.945
  320    H    SER  41           H        SER  41 -21.267 -11.549  -5.787
  321    HA   SER  41           HA       SER  41 -21.180 -14.031  -7.213
  322   1HB   SER  41          2HB       SER  41 -21.605 -11.427  -8.640
  323   2HB   SER  41          1HB       SER  41 -22.451 -12.958  -8.843
  324    HG   SER  41           HG       SER  41 -23.647 -11.299  -7.704
  325    H    SER  42           H        SER  42 -19.164 -11.144  -7.302
  326    HA   SER  42           HA       SER  42 -17.112 -12.639  -8.799
  327   1HB   SER  42          2HB       SER  42 -18.709 -10.407  -9.953
  328   2HB   SER  42          1HB       SER  42 -16.975 -10.379 -10.256
  329    HG   SER  42           HG       SER  42 -18.386 -11.606 -11.765
  330    H    SER  43           H        SER  43 -15.244 -10.792  -9.236
  331    HA   SER  43           HA       SER  43 -14.345 -10.044  -6.607
  332   1HB   SER  43          2HB       SER  43 -12.716  -8.595  -8.155
  333   2HB   SER  43          1HB       SER  43 -12.541 -10.342  -8.011
  334    HG   SER  43           HG       SER  43 -12.606  -9.849 -10.176
  335    H    ASP  44           H        ASP  44 -14.796  -8.228  -5.464
  336    HA   ASP  44           HA       ASP  44 -16.298  -6.052  -6.828
  337   1HB   ASP  44          2HB       ASP  44 -16.146  -7.090  -4.038
  338   2HB   ASP  44          1HB       ASP  44 -16.430  -5.361  -4.233
  339    H    ARG  45           H        ARG  45 -14.052  -5.527  -7.786
  340    HA   ARG  45           HA       ARG  45 -12.072  -4.340  -6.023
  341   1HB   ARG  45          2HB       ARG  45 -12.467  -4.438  -9.011
  342   2HB   ARG  45          1HB       ARG  45 -11.216  -3.418  -8.301
  343   1HG   ARG  45          2HG       ARG  45 -10.176  -5.325  -7.234
  344   2HG   ARG  45          1HG       ARG  45 -11.501  -6.379  -7.727
  345   1HD   ARG  45          2HD       ARG  45 -10.886  -6.284 -10.008
  346   2HD   ARG  45          1HD       ARG  45  -9.875  -4.860  -9.763
  347    HE   ARG  45           HE       ARG  45  -8.699  -6.811  -8.175
  348   1HH1  ARG  45          1HH2      ARG  45  -9.572  -6.547 -11.552
  349   2HH1  ARG  45          2HH2      ARG  45  -8.284  -7.579 -12.068
  350   1HH2  ARG  45          1HH1      ARG  45  -7.051  -8.144  -8.886
  351   2HH2  ARG  45          2HH1      ARG  45  -6.870  -8.474 -10.577
  352    H    LYS  46           H        LYS  46 -13.732  -2.916  -4.920
  353    HA   LYS  46           HA       LYS  46 -14.224  -0.418  -6.489
  354   1HB   LYS  46          2HB       LYS  46 -15.674  -1.494  -4.052
  355   2HB   LYS  46          1HB       LYS  46 -16.023   0.046  -4.837
  356   1HG   LYS  46          2HG       LYS  46 -16.008  -1.915  -6.894
  357   2HG   LYS  46          1HG       LYS  46 -16.935  -2.597  -5.561
  358   1HD   LYS  46          2HD       LYS  46 -17.496   0.246  -6.206
  359   2HD   LYS  46          1HD       LYS  46 -18.009  -0.936  -7.411
  360   1HE   LYS  46          2HE       LYS  46 -18.864  -2.169  -5.150
  361   2HE   LYS  46          1HE       LYS  46 -19.019  -0.483  -4.658
  362   1HZ   LYS  46          1HZ       LYS  46 -21.005  -1.469  -5.796
  363   2HZ   LYS  46          2HZ       LYS  46 -20.084  -1.517  -7.223
  364   3HZ   LYS  46          3HZ       LYS  46 -20.424  -0.029  -6.478
  365    H    GLY  47           H        GLY  47 -12.628  -1.780  -3.720
  366   1HA   GLY  47          2HA       GLY  47 -12.323   0.518  -2.083
  367   2HA   GLY  47          1HA       GLY  47 -11.185  -0.828  -2.144
  368    H    LEU  48           H        LEU  48  -9.769  -0.798  -4.211
  369    HA   LEU  48           HA       LEU  48  -8.280   1.656  -4.247
  370   1HB   LEU  48          2HB       LEU  48  -7.489   0.538  -6.633
  371   2HB   LEU  48          1HB       LEU  48  -6.778   0.162  -5.074
  372    HG   LEU  48           HG       LEU  48  -8.275  -1.789  -4.855
  373   1HD1  LEU  48          1HD1      LEU  48 -10.243  -1.438  -6.012
  374   2HD1  LEU  48          2HD1      LEU  48  -9.367  -2.329  -7.255
  375   3HD1  LEU  48          3HD1      LEU  48  -9.437  -0.569  -7.317
  376   1HD2  LEU  48          1HD2      LEU  48  -6.032  -1.830  -6.114
  377   2HD2  LEU  48          2HD2      LEU  48  -6.996  -1.855  -7.591
  378   3HD2  LEU  48          3HD2      LEU  48  -7.139  -3.168  -6.422
  379    H    ASP  49           H        ASP  49 -10.928   0.472  -6.214
  380    HA   ASP  49           HA       ASP  49 -10.733   2.269  -8.413
  381   1HB   ASP  49          2HB       ASP  49 -12.433   0.263  -7.748
  382   2HB   ASP  49          1HB       ASP  49 -13.452   1.655  -7.382
  383    H    LEU  50           H        LEU  50 -12.185   2.640  -5.206
  384    HA   LEU  50           HA       LEU  50 -12.966   5.437  -5.806
  385   1HB   LEU  50          2HB       LEU  50 -13.240   3.900  -3.201
  386   2HB   LEU  50          1HB       LEU  50 -14.062   5.396  -3.643
  387    HG   LEU  50           HG       LEU  50 -14.404   2.981  -5.396
  388   1HD1  LEU  50          1HD1      LEU  50 -16.412   2.392  -3.985
  389   2HD1  LEU  50          2HD1      LEU  50 -15.789   3.486  -2.750
  390   3HD1  LEU  50          3HD1      LEU  50 -14.862   2.059  -3.213
  391   1HD2  LEU  50          1HD2      LEU  50 -16.054   5.400  -4.622
  392   2HD2  LEU  50          2HD2      LEU  50 -16.705   4.062  -5.569
  393   3HD2  LEU  50          3HD2      LEU  50 -15.371   5.024  -6.205
  394    H    LEU  51           H        LEU  51 -10.541   3.578  -4.090
  395    HA   LEU  51           HA       LEU  51  -9.475   5.624  -2.411
  396   1HB   LEU  51          2HB       LEU  51  -8.962   3.027  -2.616
  397   2HB   LEU  51          1HB       LEU  51  -7.690   3.585  -3.699
  398    HG   LEU  51           HG       LEU  51  -7.036   5.212  -1.825
  399   1HD1  LEU  51          1HD1      LEU  51  -8.872   5.189  -0.354
  400   2HD1  LEU  51          2HD1      LEU  51  -7.699   4.156   0.463
  401   3HD1  LEU  51          3HD1      LEU  51  -9.032   3.435  -0.438
  402   1HD2  LEU  51          1HD2      LEU  51  -5.915   3.297  -0.521
  403   2HD2  LEU  51          2HD2      LEU  51  -5.590   3.373  -2.253
  404   3HD2  LEU  51          3HD2      LEU  51  -6.758   2.211  -1.626
  405    H    ARG  52           H        ARG  52  -8.916   4.780  -5.801
  406    HA   ARG  52           HA       ARG  52  -6.671   6.477  -6.279
  407   1HB   ARG  52          2HB       ARG  52  -8.830   5.298  -8.003
  408   2HB   ARG  52          1HB       ARG  52  -7.727   6.492  -8.688
  409   1HG   ARG  52          2HG       ARG  52  -5.871   5.114  -8.462
  410   2HG   ARG  52          1HG       ARG  52  -6.577   4.213  -7.119
  411   1HD   ARG  52          2HD       ARG  52  -6.531   2.813  -9.132
  412   2HD   ARG  52          1HD       ARG  52  -8.199   3.178  -8.689
  413    HE   ARG  52           HE       ARG  52  -7.422   5.179 -10.503
  414   1HH1  ARG  52          1HH2      ARG  52  -7.754   1.697 -10.491
  415   2HH1  ARG  52          2HH2      ARG  52  -8.119   1.625 -12.179
  416   1HH2  ARG  52          1HH1      ARG  52  -7.898   5.038 -12.687
  417   2HH2  ARG  52          2HH1      ARG  52  -8.201   3.494 -13.411
  418    H    MET  53           H        MET  53 -10.058   7.179  -5.855
  419    HA   MET  53           HA       MET  53  -9.567   9.992  -6.707
  420   1HB   MET  53          2HB       MET  53 -11.905  10.167  -7.220
  421   2HB   MET  53          1HB       MET  53 -11.339   8.663  -7.934
  422   1HG   MET  53          2HG       MET  53 -12.257   7.390  -6.055
  423   2HG   MET  53          1HG       MET  53 -12.748   8.881  -5.253
  424   1HE   MET  53          1HE       MET  53 -15.663   8.393  -5.273
  425   2HE   MET  53          2HE       MET  53 -14.525   7.051  -5.177
  426   3HE   MET  53          3HE       MET  53 -15.886   6.965  -6.293
  427    H    LYS  54           H        LYS  54  -9.576   8.261  -3.912
  428    HA   LYS  54           HA       LYS  54 -10.968  10.417  -2.383
  429   1HB   LYS  54          2HB       LYS  54 -10.800   7.486  -2.064
  430   2HB   LYS  54          1HB       LYS  54 -10.602   8.399  -0.569
  431   1HG   LYS  54          2HG       LYS  54 -12.788   9.390  -2.282
  432   2HG   LYS  54          1HG       LYS  54 -13.029   7.743  -1.704
  433   1HD   LYS  54          2HD       LYS  54 -13.077   8.384   0.529
  434   2HD   LYS  54          1HD       LYS  54 -12.101   9.825   0.242
  435   1HE   LYS  54          2HE       LYS  54 -13.964  10.939  -0.845
  436   2HE   LYS  54          1HE       LYS  54 -14.942   9.473  -0.753
  437   1HZ   LYS  54          1HZ       LYS  54 -14.039  11.221   1.455
  438   2HZ   LYS  54          2HZ       LYS  54 -14.568   9.631   1.736
  439   3HZ   LYS  54          3HZ       LYS  54 -15.622  10.771   1.047
  440    H    VAL  55           H        VAL  55  -7.927   8.752  -2.850
  441    HA   VAL  55           HA       VAL  55  -6.636   9.491  -0.411
  442    HB   VAL  55           HB       VAL  55  -4.519   9.205  -1.709
  443   1HG1  VAL  55          1HG1      VAL  55  -6.737   7.168  -1.959
  444   2HG1  VAL  55          2HG1      VAL  55  -5.453   7.231  -0.752
  445   3HG1  VAL  55          3HG1      VAL  55  -5.075   6.810  -2.421
  446   1HG2  VAL  55          1HG2      VAL  55  -6.335   8.581  -4.050
  447   2HG2  VAL  55          2HG2      VAL  55  -4.576   8.714  -4.050
  448   3HG2  VAL  55          3HG2      VAL  55  -5.570  10.156  -3.842
  449    H    GLU  56           H        GLU  56  -5.368  11.299   0.120
  450    HA   GLU  56           HA       GLU  56  -5.911  13.720  -1.531
  451   1HB   GLU  56          2HB       GLU  56  -6.280  13.363   1.130
  452   2HB   GLU  56          1HB       GLU  56  -4.624  13.971   1.137
  453   1HG   GLU  56          2HG       GLU  56  -5.232  16.043   0.358
  454   2HG   GLU  56          1HG       GLU  56  -6.566  15.406  -0.604
  455    H    GLU  57           H        GLU  57  -4.044  15.333  -1.573
  456    HA   GLU  57           HA       GLU  57  -1.714  14.075  -2.684
  457   1HB   GLU  57          2HB       GLU  57  -2.751  16.561  -2.879
  458   2HB   GLU  57          1HB       GLU  57  -1.486  16.868  -1.687
  459   1HG   GLU  57          2HG       GLU  57   0.228  16.118  -3.148
  460   2HG   GLU  57          1HG       GLU  57  -0.928  15.351  -4.237
  461    H    GLY  58           H        GLY  58  -0.317  12.935  -1.451
  462   1HA   GLY  58          2HA       GLY  58   1.522  12.862   0.105
  463   2HA   GLY  58          1HA       GLY  58   0.814  14.229   0.966
  464    H    ASP  59           H        ASP  59  -1.239  11.560   0.033
  465    HA   ASP  59           HA       ASP  59  -1.700  10.977   2.896
  466   1HB   ASP  59          2HB       ASP  59  -3.312  10.983   0.550
  467   2HB   ASP  59          1HB       ASP  59  -3.269   9.320   1.128
  468    H    VAL  60           H        VAL  60  -1.679   8.734   3.676
  469    HA   VAL  60           HA       VAL  60   0.327   7.076   2.202
  470    HB   VAL  60           HB       VAL  60   0.467   5.885   4.528
  471   1HG1  VAL  60          1HG1      VAL  60   1.619   8.547   3.749
  472   2HG1  VAL  60          2HG1      VAL  60   2.398   6.966   3.789
  473   3HG1  VAL  60          3HG1      VAL  60   2.047   7.813   5.295
  474   1HG2  VAL  60          1HG2      VAL  60  -0.399   8.619   5.484
  475   2HG2  VAL  60          2HG2      VAL  60  -0.118   7.165   6.442
  476   3HG2  VAL  60          3HG2      VAL  60  -1.528   7.266   5.388
  477    H    ILE  61           H        ILE  61  -0.371   5.209   1.348
  478    HA   ILE  61           HA       ILE  61  -3.077   4.223   2.118
  479    HB   ILE  61           HB       ILE  61  -1.369   3.735  -0.343
  480   1HG1  ILE  61          2HG1      ILE  61  -4.079   5.030  -0.278
  481   2HG1  ILE  61          1HG1      ILE  61  -2.653   5.978   0.140
  482   1HG2  ILE  61          1HG2      ILE  61  -4.089   2.659   0.440
  483   2HG2  ILE  61          2HG2      ILE  61  -2.649   1.733   0.014
  484   3HG2  ILE  61          3HG2      ILE  61  -3.497   2.663  -1.221
  485   1HD1  ILE  61          1HD1      ILE  61  -3.005   4.410  -2.431
  486   2HD1  ILE  61          2HD1      ILE  61  -1.620   5.420  -2.012
  487   3HD1  ILE  61          3HD1      ILE  61  -3.201   6.154  -2.273
  488    H    LEU  62           H        LEU  62  -2.691   2.879   3.864
  489    HA   LEU  62           HA       LEU  62  -0.416   1.047   3.933
  490   1HB   LEU  62          2HB       LEU  62  -2.541   1.929   5.751
  491   2HB   LEU  62          1HB       LEU  62  -2.221   0.201   5.884
  492    HG   LEU  62           HG       LEU  62  -0.074   2.338   5.984
  493   1HD1  LEU  62          1HD1      LEU  62  -1.577   0.886   8.170
  494   2HD1  LEU  62          2HD1      LEU  62  -1.409   2.627   7.948
  495   3HD1  LEU  62          3HD1      LEU  62  -0.018   1.663   8.443
  496   1HD2  LEU  62          1HD2      LEU  62   1.429   0.611   6.388
  497   2HD2  LEU  62          2HD2      LEU  62   0.306  -0.204   5.301
  498   3HD2  LEU  62          3HD2      LEU  62   0.187  -0.455   7.042
  499    H    VAL  63           H        VAL  63  -0.397  -0.891   2.906
  500    HA   VAL  63           HA       VAL  63  -3.022  -2.141   2.198
  501    HB   VAL  63           HB       VAL  63  -0.307  -2.586   0.917
  502   1HG1  VAL  63          1HG1      VAL  63  -3.071  -3.661   0.475
  503   2HG1  VAL  63          2HG1      VAL  63  -1.522  -4.499   0.398
  504   3HG1  VAL  63          3HG1      VAL  63  -2.015  -3.436  -0.920
  505   1HG2  VAL  63          1HG2      VAL  63  -1.109  -0.301   0.510
  506   2HG2  VAL  63          2HG2      VAL  63  -2.683  -0.925   0.016
  507   3HG2  VAL  63          3HG2      VAL  63  -1.254  -1.259  -0.963
  508    H    LYS  64           H        LYS  64  -3.406  -4.252   2.842
  509    HA   LYS  64           HA       LYS  64  -1.422  -5.425   4.726
  510   1HB   LYS  64          2HB       LYS  64  -3.931  -5.036   5.295
  511   2HB   LYS  64          1HB       LYS  64  -4.224  -6.447   4.282
  512   1HG   LYS  64          2HG       LYS  64  -2.028  -6.874   6.179
  513   2HG   LYS  64          1HG       LYS  64  -3.551  -6.496   6.983
  514   1HD   LYS  64          2HD       LYS  64  -4.677  -8.281   5.706
  515   2HD   LYS  64          1HD       LYS  64  -3.159  -8.659   4.893
  516   1HE   LYS  64          2HE       LYS  64  -3.685  -8.858   7.874
  517   2HE   LYS  64          1HE       LYS  64  -3.507 -10.211   6.755
  518   1HZ   LYS  64          1HZ       LYS  64  -1.263  -9.065   6.220
  519   2HZ   LYS  64          2HZ       LYS  64  -1.403 -10.025   7.615
  520   3HZ   LYS  64          3HZ       LYS  64  -1.470  -8.332   7.736
  521    H    LYS  65           H        LYS  65  -1.134  -7.826   4.613
  522    HA   LYS  65           HA       LYS  65  -1.258  -8.768   1.777
  523   1HB   LYS  65          2HB       LYS  65   1.000  -8.388   3.308
  524   2HB   LYS  65          1HB       LYS  65   0.675 -10.102   3.566
  525   1HG   LYS  65          2HG       LYS  65   0.459  -9.101   0.770
  526   2HG   LYS  65          1HG       LYS  65   2.082  -9.215   1.453
  527   1HD   LYS  65          2HD       LYS  65   1.644 -11.572   2.075
  528   2HD   LYS  65          1HD       LYS  65   0.042 -11.456   1.345
  529   1HE   LYS  65          2HE       LYS  65   1.323 -12.389  -0.387
  530   2HE   LYS  65          1HE       LYS  65   1.335 -10.669  -0.782
  531   1HZ   LYS  65          1HZ       LYS  65   3.551 -11.749  -0.862
  532   2HZ   LYS  65          2HZ       LYS  65   3.445 -12.014   0.812
  533   3HZ   LYS  65          3HZ       LYS  65   3.473 -10.430   0.201
  534    H    LEU  66           H        LEU  66  -3.364  -9.715   2.164
  535    HA   LEU  66           HA       LEU  66  -3.376 -12.023   4.059
  536   1HB   LEU  66          2HB       LEU  66  -5.180 -10.320   4.337
  537   2HB   LEU  66          1HB       LEU  66  -5.716 -10.656   2.692
  538    HG   LEU  66           HG       LEU  66  -5.953 -13.092   3.396
  539   1HD1  LEU  66          1HD1      LEU  66  -4.785 -13.394   5.370
  540   2HD1  LEU  66          2HD1      LEU  66  -6.396 -13.098   6.023
  541   3HD1  LEU  66          3HD1      LEU  66  -5.206 -11.796   5.987
  542   1HD2  LEU  66          1HD2      LEU  66  -8.159 -12.726   3.982
  543   2HD2  LEU  66          2HD2      LEU  66  -7.751 -11.111   3.403
  544   3HD2  LEU  66          3HD2      LEU  66  -7.752 -11.454   5.133
  545    H    ASP  67           H        ASP  67  -3.867 -11.076   0.697
  546    HA   ASP  67           HA       ASP  67  -3.690 -13.952  -0.059
  547   1HB   ASP  67          2HB       ASP  67  -5.896 -12.041  -0.660
  548   2HB   ASP  67          1HB       ASP  67  -5.374 -13.090  -1.979
  549    H    ARG  68           H        ARG  68  -4.248 -10.980  -1.951
  550    HA   ARG  68           HA       ARG  68  -1.560 -10.540  -2.773
  551   1HB   ARG  68          2HB       ARG  68  -2.936 -12.745  -4.125
  552   2HB   ARG  68          1HB       ARG  68  -2.404 -11.503  -5.257
  553   1HG   ARG  68          2HG       ARG  68  -0.174 -11.863  -4.824
  554   2HG   ARG  68          1HG       ARG  68  -0.464 -12.343  -3.152
  555   1HD   ARG  68          2HD       ARG  68  -0.113 -14.456  -3.915
  556   2HD   ARG  68          1HD       ARG  68  -1.759 -14.337  -4.535
  557    HE   ARG  68           HE       ARG  68   0.160 -13.233  -6.401
  558   1HH1  ARG  68          1HH2      ARG  68  -1.242 -16.212  -5.219
  559   2HH1  ARG  68          2HH2      ARG  68  -0.900 -17.070  -6.680
  560   1HH2  ARG  68          1HH1      ARG  68   0.575 -14.378  -8.274
  561   2HH2  ARG  68          2HH1      ARG  68   0.117 -16.044  -8.393
  562    H    LEU  69           H        LEU  69  -1.480  -8.611  -3.912
  563    HA   LEU  69           HA       LEU  69  -3.739  -6.932  -4.092
  564   1HB   LEU  69          2HB       LEU  69  -1.003  -6.968  -5.321
  565   2HB   LEU  69          1HB       LEU  69  -2.162  -5.736  -5.817
  566    HG   LEU  69           HG       LEU  69  -0.677  -5.017  -3.951
  567   1HD1  LEU  69          1HD1      LEU  69  -2.345  -3.782  -2.965
  568   2HD1  LEU  69          2HD1      LEU  69  -3.408  -5.177  -2.781
  569   3HD1  LEU  69          3HD1      LEU  69  -3.226  -4.408  -4.358
  570   1HD2  LEU  69          1HD2      LEU  69  -0.957  -5.945  -1.729
  571   2HD2  LEU  69          2HD2      LEU  69  -0.506  -7.234  -2.844
  572   3HD2  LEU  69          3HD2      LEU  69  -2.183  -7.066  -2.324
  573    H    GLY  70           H        GLY  70  -1.953  -8.230  -6.910
  574   1HA   GLY  70          2HA       GLY  70  -4.530  -8.215  -8.421
  575   2HA   GLY  70          1HA       GLY  70  -2.938  -8.056  -9.162
  576    H    ARG  71           H        ARG  71  -2.454  -9.864 -10.283
  577    HA   ARG  71           HA       ARG  71  -2.310 -12.449  -9.018
  578   1HB   ARG  71          2HB       ARG  71  -4.845 -12.023  -9.564
  579   2HB   ARG  71          1HB       ARG  71  -4.356 -12.387 -11.219
  580   1HG   ARG  71          2HG       ARG  71  -3.883 -14.589 -10.743
  581   2HG   ARG  71          1HG       ARG  71  -3.412 -14.239  -9.079
  582   1HD   ARG  71          2HD       ARG  71  -5.446 -15.247  -8.674
  583   2HD   ARG  71          1HD       ARG  71  -5.998 -13.586  -8.889
  584    HE   ARG  71           HE       ARG  71  -7.105 -14.292 -10.833
  585   1HH1  ARG  71          1HH2      ARG  71  -4.514 -16.517 -10.083
  586   2HH1  ARG  71          2HH2      ARG  71  -4.922 -17.587 -11.379
  587   1HH2  ARG  71          1HH1      ARG  71  -7.596 -15.702 -12.500
  588   2HH2  ARG  71          2HH1      ARG  71  -6.647 -17.131 -12.735
  589    H    ASP  72           H        ASP  72  -2.987 -11.147 -12.294
  590    HA   ASP  72           HA       ASP  72  -0.429 -12.420 -13.186
  591   1HB   ASP  72          2HB       ASP  72  -3.114 -12.275 -14.569
  592   2HB   ASP  72          1HB       ASP  72  -1.621 -12.587 -15.456
  593    H    THR  73           H        THR  73  -2.825 -10.093 -14.488
  594    HA   THR  73           HA       THR  73  -0.914  -8.541 -15.923
  595    HB   THR  73           HB       THR  73  -3.396  -7.293 -14.776
  596    HG1  THR  73           1HG      THR  73  -4.618  -8.408 -16.255
  597   1HG2  THR  73          1HG2      THR  73  -3.403  -6.680 -17.366
  598   2HG2  THR  73          2HG2      THR  73  -1.689  -7.063 -17.217
  599   3HG2  THR  73          3HG2      THR  73  -2.398  -5.793 -16.220
  600    H    ALA  74           H        ALA  74  -0.433  -6.184 -15.390
  601    HA   ALA  74           HA       ALA  74   0.808  -6.046 -12.756
  602   1HB   ALA  74          1HB       ALA  74   1.103  -3.542 -13.721
  603   2HB   ALA  74          2HB       ALA  74   0.764  -4.392 -15.229
  604   3HB   ALA  74          3HB       ALA  74   2.130  -4.883 -14.228
  605    H    ASP  75           H        ASP  75  -1.622  -6.375 -11.922
  606    HA   ASP  75           HA       ASP  75  -3.213  -3.924 -11.804
  607   1HB   ASP  75          2HB       ASP  75  -3.407  -6.616 -10.443
  608   2HB   ASP  75          1HB       ASP  75  -4.503  -5.290 -10.056
  609    H    MET  76           H        MET  76  -1.326  -5.839  -9.453
  610    HA   MET  76           HA       MET  76  -1.595  -4.115  -7.226
  611   1HB   MET  76          2HB       MET  76  -0.591  -6.381  -7.133
  612   2HB   MET  76          1HB       MET  76   0.806  -5.791  -8.005
  613   1HG   MET  76          2HG       MET  76   0.092  -4.212  -5.613
  614   2HG   MET  76          1HG       MET  76   0.646  -5.852  -5.287
  615   1HE   MET  76          1HE       MET  76   2.529  -5.760  -4.246
  616   2HE   MET  76          2HE       MET  76   4.117  -5.268  -4.829
  617   3HE   MET  76          3HE       MET  76   3.288  -6.622  -5.592
  618    H    ILE  77           H        ILE  77   0.596  -3.960  -9.991
  619    HA   ILE  77           HA       ILE  77   2.055  -1.665  -8.879
  620    HB   ILE  77           HB       ILE  77   2.171  -3.010 -11.600
  621   1HG1  ILE  77          2HG1      ILE  77   4.530  -3.537 -10.371
  622   2HG1  ILE  77          1HG1      ILE  77   3.474  -3.450  -8.961
  623   1HG2  ILE  77          1HG2      ILE  77   4.116  -1.041 -10.351
  624   2HG2  ILE  77          2HG2      ILE  77   2.929  -0.608 -11.581
  625   3HG2  ILE  77          3HG2      ILE  77   4.216  -1.750 -11.964
  626   1HD1  ILE  77          1HD1      ILE  77   2.225  -5.286  -9.608
  627   2HD1  ILE  77          2HD1      ILE  77   3.780  -5.726 -10.314
  628   3HD1  ILE  77          3HD1      ILE  77   2.524  -5.015 -11.326
  629    H    GLN  78           H        GLN  78  -0.759  -2.187 -10.859
  630    HA   GLN  78           HA       GLN  78  -0.743   0.227 -12.380
  631   1HB   GLN  78          2HB       GLN  78  -2.432  -1.925 -12.185
  632   2HB   GLN  78          1HB       GLN  78  -3.385  -0.668 -11.401
  633   1HG   GLN  78          2HG       GLN  78  -2.069  -0.349 -14.113
  634   2HG   GLN  78          1HG       GLN  78  -3.757  -0.805 -13.882
  635   1HE2  GLN  78          1HE2      GLN  78  -1.685   1.871 -14.236
  636   2HE2  GLN  78          2HE2      GLN  78  -2.746   3.073 -13.681
  637    H    LEU  79           H        LEU  79  -2.812  -0.373  -9.517
  638    HA   LEU  79           HA       LEU  79  -3.298   2.377  -9.045
  639   1HB   LEU  79          2HB       LEU  79  -4.275   1.781  -6.944
  640   2HB   LEU  79          1HB       LEU  79  -4.663   0.507  -8.081
  641    HG   LEU  79           HG       LEU  79  -4.110  -0.566  -6.036
  642   1HD1  LEU  79          1HD1      LEU  79  -2.122  -1.883  -6.553
  643   2HD1  LEU  79          2HD1      LEU  79  -1.631  -0.696  -7.753
  644   3HD1  LEU  79          3HD1      LEU  79  -3.100  -1.633  -7.996
  645   1HD2  LEU  79          1HD2      LEU  79  -2.466   0.039  -4.551
  646   2HD2  LEU  79          2HD2      LEU  79  -2.750   1.604  -5.312
  647   3HD2  LEU  79          3HD2      LEU  79  -1.381   0.614  -5.816
  648    H    ILE  80           H        ILE  80  -0.416   0.593  -8.424
  649    HA   ILE  80           HA       ILE  80   0.534   2.336  -6.284
  650    HB   ILE  80           HB       ILE  80   1.858   0.234  -8.029
  651   1HG1  ILE  80          2HG1      ILE  80   1.364   0.391  -5.041
  652   2HG1  ILE  80          1HG1      ILE  80   0.312  -0.449  -6.178
  653   1HG2  ILE  80          1HG2      ILE  80   3.125   1.945  -5.863
  654   2HG2  ILE  80          2HG2      ILE  80   3.578   1.914  -7.567
  655   3HG2  ILE  80          3HG2      ILE  80   3.862   0.499  -6.554
  656   1HD1  ILE  80          1HD1      ILE  80   3.202  -1.080  -5.536
  657   2HD1  ILE  80          2HD1      ILE  80   2.338  -1.796  -6.896
  658   3HD1  ILE  80          3HD1      ILE  80   1.792  -2.100  -5.247
  659    H    LYS  81           H        LYS  81   0.989   2.042  -9.802
  660    HA   LYS  81           HA       LYS  81   2.807   4.290 -10.001
  661   1HB   LYS  81          2HB       LYS  81   1.595   2.359 -11.779
  662   2HB   LYS  81          1HB       LYS  81   1.392   3.975 -12.454
  663   1HG   LYS  81          2HG       LYS  81   3.503   3.669 -13.243
  664   2HG   LYS  81          1HG       LYS  81   3.992   4.086 -11.600
  665   1HD   LYS  81          2HD       LYS  81   5.099   2.066 -11.847
  666   2HD   LYS  81          1HD       LYS  81   3.566   1.496 -11.183
  667   1HE   LYS  81          2HE       LYS  81   4.008   0.122 -13.095
  668   2HE   LYS  81          1HE       LYS  81   2.756   1.260 -13.590
  669   1HZ   LYS  81          1HZ       LYS  81   4.328   2.575 -14.720
  670   2HZ   LYS  81          2HZ       LYS  81   4.668   0.973 -15.170
  671   3HZ   LYS  81          3HZ       LYS  81   5.643   1.762 -14.023
  672    H    GLU  82           H        GLU  82  -0.680   3.869 -10.054
  673    HA   GLU  82           HA       GLU  82  -1.354   6.502 -11.007
  674   1HB   GLU  82          2HB       GLU  82  -2.834   4.356 -10.775
  675   2HB   GLU  82          1HB       GLU  82  -3.090   4.918  -9.123
  676   1HG   GLU  82          2HG       GLU  82  -4.846   5.980 -10.211
  677   2HG   GLU  82          1HG       GLU  82  -3.598   7.220 -10.319
  678    H    PHE  83           H        PHE  83  -0.947   5.109  -7.750
  679    HA   PHE  83           HA       PHE  83  -1.605   7.608  -6.403
  680   1HB   PHE  83          2HB       PHE  83  -0.361   5.011  -5.479
  681   2HB   PHE  83          1HB       PHE  83  -0.571   6.387  -4.399
  682    HD1  PHE  83           1HD      PHE  83  -1.961   3.394  -4.981
  683    HD2  PHE  83           2HD      PHE  83  -3.130   7.524  -5.091
  684    HE1  PHE  83           1HE      PHE  83  -4.321   2.734  -4.607
  685    HE2  PHE  83           2HE      PHE  83  -5.491   6.863  -4.719
  686    HZ   PHE  83           HZ       PHE  83  -6.085   4.470  -4.478
  687    H    ASP  84           H        ASP  84   1.356   5.970  -7.430
  688    HA   ASP  84           HA       ASP  84   3.235   7.600  -6.047
  689   1HB   ASP  84          2HB       ASP  84   3.529   5.436  -7.546
  690   2HB   ASP  84          1HB       ASP  84   3.824   6.619  -8.818
  691    H    ALA  85           H        ALA  85   1.504   8.061  -9.085
  692    HA   ALA  85           HA       ALA  85   2.974  10.501  -9.772
  693   1HB   ALA  85          1HB       ALA  85   0.869  10.617 -11.413
  694   2HB   ALA  85          2HB       ALA  85   0.740   8.917 -10.963
  695   3HB   ALA  85          3HB       ALA  85   2.216   9.520 -11.718
  696    H    GLN  86           H        GLN  86   0.099   9.688  -7.958
  697    HA   GLN  86           HA       GLN  86  -1.002  12.391  -8.082
  698   1HB   GLN  86          2HB       GLN  86  -1.842   9.772  -7.109
  699   2HB   GLN  86          1HB       GLN  86  -2.217  11.044  -5.951
  700   1HG   GLN  86          2HG       GLN  86  -3.005  12.269  -8.228
  701   2HG   GLN  86          1HG       GLN  86  -3.300  10.590  -8.679
  702   1HE2  GLN  86          1HE2      GLN  86  -5.662  11.034  -8.581
  703   2HE2  GLN  86          2HE2      GLN  86  -6.447  11.131  -7.079
  704    H    GLY  87           H        GLY  87   1.701  11.294  -6.570
  705   1HA   GLY  87          2HA       GLY  87   2.988  12.269  -4.864
  706   2HA   GLY  87          1HA       GLY  87   1.720  13.479  -4.667
  707    H    VAL  88           H        VAL  88   1.015  10.051  -4.529
  708    HA   VAL  88           HA       VAL  88   0.475  10.348  -1.603
  709    HB   VAL  88           HB       VAL  88  -0.872   8.516  -3.618
  710   1HG1  VAL  88          1HG1      VAL  88  -0.713   7.697  -1.224
  711   2HG1  VAL  88          2HG1      VAL  88  -2.359   7.907  -1.822
  712   3HG1  VAL  88          3HG1      VAL  88  -1.651   9.114  -0.750
  713   1HG2  VAL  88          1HG2      VAL  88  -1.250  11.205  -3.402
  714   2HG2  VAL  88          2HG2      VAL  88  -2.387  10.627  -2.185
  715   3HG2  VAL  88          3HG2      VAL  88  -2.528  10.078  -3.854
  716    H    SER  89           H        SER  89   1.082   8.599  -0.251
  717    HA   SER  89           HA       SER  89   3.138   6.811  -1.457
  718   1HB   SER  89          2HB       SER  89   2.782   8.073   1.216
  719   2HB   SER  89          1HB       SER  89   3.500   6.464   1.189
  720    HG   SER  89           HG       SER  89   5.017   8.231   0.975
  721    H    ILE  90           H        ILE  90   3.239   4.583  -0.494
  722    HA   ILE  90           HA       ILE  90   0.591   3.576   0.435
  723    HB   ILE  90           HB       ILE  90   2.244   2.220  -1.714
  724   1HG1  ILE  90          2HG1      ILE  90  -0.322   3.818  -2.010
  725   2HG1  ILE  90          1HG1      ILE  90   1.272   4.374  -2.514
  726   1HG2  ILE  90          1HG2      ILE  90   0.316   0.768  -1.934
  727   2HG2  ILE  90          2HG2      ILE  90  -0.606   1.751  -0.796
  728   3HG2  ILE  90          3HG2      ILE  90   0.777   0.813  -0.232
  729   1HD1  ILE  90          1HD1      ILE  90   1.465   2.550  -4.106
  730   2HD1  ILE  90          2HD1      ILE  90  -0.066   3.380  -4.385
  731   3HD1  ILE  90          3HD1      ILE  90  -0.043   1.839  -3.528
  732    H    ARG  91           H        ARG  91   1.222   2.912   2.467
  733    HA   ARG  91           HA       ARG  91   3.858   1.771   2.963
  734   1HB   ARG  91          2HB       ARG  91   1.377   2.053   4.675
  735   2HB   ARG  91          1HB       ARG  91   2.889   1.365   5.267
  736   1HG   ARG  91          2HG       ARG  91   3.893   3.599   4.215
  737   2HG   ARG  91          1HG       ARG  91   2.257   4.185   4.514
  738   1HD   ARG  91          2HD       ARG  91   2.482   4.070   6.793
  739   2HD   ARG  91          1HD       ARG  91   3.544   2.663   6.721
  740    HE   ARG  91           HE       ARG  91   5.100   4.677   5.661
  741   1HH1  ARG  91          1HH2      ARG  91   3.255   4.332   8.613
  742   2HH1  ARG  91          2HH2      ARG  91   4.301   5.379   9.507
  743   1HH2  ARG  91          1HH1      ARG  91   6.429   6.023   6.859
  744   2HH2  ARG  91          2HH1      ARG  91   6.078   6.326   8.528
  745    H    PHE  92           H        PHE  92   4.253  -0.431   3.666
  746    HA   PHE  92           HA       PHE  92   2.128  -2.367   2.848
  747   1HB   PHE  92          2HB       PHE  92   5.083  -2.375   2.195
  748   2HB   PHE  92          1HB       PHE  92   4.076  -3.815   2.049
  749    HD1  PHE  92           1HD      PHE  92   1.622  -3.093   0.941
  750    HD2  PHE  92           2HD      PHE  92   5.448  -1.311   0.151
  751    HE1  PHE  92           1HE      PHE  92   0.798  -2.312  -1.263
  752    HE2  PHE  92           2HE      PHE  92   4.623  -0.529  -2.055
  753    HZ   PHE  92           HZ       PHE  92   2.300  -1.028  -2.761
  754    H    ILE  93           H        ILE  93   1.592  -3.615   4.558
  755    HA   ILE  93           HA       ILE  93   3.007  -3.655   7.031
  756    HB   ILE  93           HB       ILE  93   0.618  -4.237   6.833
  757   1HG1  ILE  93          2HG1      ILE  93   0.662  -6.307   8.249
  758   2HG1  ILE  93          1HG1      ILE  93   2.383  -6.468   7.893
  759   1HG2  ILE  93          1HG2      ILE  93  -0.073  -6.377   5.878
  760   2HG2  ILE  93          2HG2      ILE  93   1.603  -6.779   5.502
  761   3HG2  ILE  93          3HG2      ILE  93   0.806  -5.447   4.664
  762   1HD1  ILE  93          1HD1      ILE  93   2.961  -4.612   9.156
  763   2HD1  ILE  93          2HD1      ILE  93   1.567  -5.189  10.071
  764   3HD1  ILE  93          3HD1      ILE  93   1.387  -3.846   8.940
  765    H    ASP  94           H        ASP  94   3.484  -5.462   4.093
  766    HA   ASP  94           HA       ASP  94   4.802  -7.761   5.139
  767   1HB   ASP  94          2HB       ASP  94   4.013  -7.216   2.713
  768   2HB   ASP  94          1HB       ASP  94   5.607  -6.481   2.539
  769    H    ASP  95           H        ASP  95   5.904  -4.456   4.693
  770    HA   ASP  95           HA       ASP  95   8.532  -5.282   5.847
  771   1HB   ASP  95          2HB       ASP  95   8.461  -4.802   3.252
  772   2HB   ASP  95          1HB       ASP  95   8.444  -3.117   3.774
  773    H    GLY  96           H        GLY  96   6.363  -2.562   5.085
  774   1HA   GLY  96          2HA       GLY  96   5.736  -1.231   7.188
  775   2HA   GLY  96          1HA       GLY  96   7.477  -1.122   7.456
  776    H    ILE  97           H        ILE  97   7.875  -0.911   4.459
  777    HA   ILE  97           HA       ILE  97   7.110   1.955   4.208
  778    HB   ILE  97           HB       ILE  97   9.084   1.953   2.516
  779   1HG1  ILE  97          2HG1      ILE  97   9.804  -0.477   4.191
  780   2HG1  ILE  97          1HG1      ILE  97   9.342  -0.528   2.492
  781   1HG2  ILE  97          1HG2      ILE  97   9.471   3.250   4.398
  782   2HG2  ILE  97          2HG2      ILE  97  10.703   2.010   4.630
  783   3HG2  ILE  97          3HG2      ILE  97   9.178   1.913   5.509
  784   1HD1  ILE  97          1HD1      ILE  97  11.267   0.851   1.891
  785   2HD1  ILE  97          2HD1      ILE  97  11.812  -0.555   2.805
  786   3HD1  ILE  97          3HD1      ILE  97  11.705   1.020   3.591
  787    H    SER  98           H        SER  98   7.387   2.484   1.630
  788    HA   SER  98           HA       SER  98   5.291   0.838   0.379
  789   1HB   SER  98          2HB       SER  98   6.689   3.245  -0.804
  790   2HB   SER  98          1HB       SER  98   5.119   2.586  -1.252
  791    HG   SER  98           HG       SER  98   5.833   3.739   1.248
  792    H    THR  99           H        THR  99   5.884   0.992  -2.276
  793    HA   THR  99           HA       THR  99   7.863  -1.106  -2.577
  794    HB   THR  99           HB       THR  99   5.872  -1.050  -4.001
  795    HG1  THR  99           1HG      THR  99   7.072  -1.864  -5.494
  796   1HG2  THR  99          1HG2      THR  99   5.116   0.981  -4.624
  797   2HG2  THR  99          2HG2      THR  99   6.368   0.964  -5.864
  798   3HG2  THR  99          3HG2      THR  99   6.679   1.739  -4.311
  799    H    ASP 100           H        ASP 100   9.606   0.324  -1.575
  800    HA   ASP 100           HA       ASP 100  10.673   2.520  -3.150
  801   1HB   ASP 100          2HB       ASP 100  10.978   2.050  -0.619
  802   2HB   ASP 100          1HB       ASP 100  12.232   0.916  -1.122
  803    H    GLY 101           H        GLY 101  10.485   0.948  -5.139
  804   1HA   GLY 101          2HA       GLY 101  12.826   0.520  -6.418
  805   2HA   GLY 101          1HA       GLY 101  12.750  -0.917  -5.398
  806    H    GLU 102           H        GLU 102  10.730   0.914  -7.707
  807    HA   GLU 102           HA       GLU 102   9.851  -1.692  -8.863
  808   1HB   GLU 102          2HB       GLU 102   7.545  -0.698  -9.113
  809   2HB   GLU 102          1HB       GLU 102   8.009  -1.005  -7.440
  810   1HG   GLU 102          2HG       GLU 102   8.047   1.210  -6.909
  811   2HG   GLU 102          1HG       GLU 102   8.773   1.667  -8.449
  812    H    MET 103           H        MET 103  11.580  -0.947 -10.429
  813    HA   MET 103           HA       MET 103  10.385   0.871 -12.455
  814   1HB   MET 103          2HB       MET 103  13.256   0.876 -11.480
  815   2HB   MET 103          1HB       MET 103  12.687   1.759 -12.896
  816   1HG   MET 103          2HG       MET 103  11.597   3.341 -11.646
  817   2HG   MET 103          1HG       MET 103  11.153   2.191 -10.387
  818   1HE   MET 103          1HE       MET 103  14.846   4.413 -11.346
  819   2HE   MET 103          2HE       MET 103  13.673   5.421 -10.502
  820   3HE   MET 103          3HE       MET 103  13.183   4.526 -11.938
  821    H    GLY 104           H        GLY 104  11.745   0.598 -14.586
  822   1HA   GLY 104          2HA       GLY 104  11.982  -2.324 -15.036
  823   2HA   GLY 104          1HA       GLY 104  11.828  -1.100 -16.297
  824    H    LYS 105           H        LYS 105  14.087  -1.493 -13.550
  825    HA   LYS 105           HA       LYS 105  16.342  -0.458 -14.970
  826   1HB   LYS 105          2HB       LYS 105  16.135  -2.242 -12.531
  827   2HB   LYS 105          1HB       LYS 105  17.669  -1.621 -13.136
  828   1HG   LYS 105          2HG       LYS 105  16.923   0.670 -12.836
  829   2HG   LYS 105          1HG       LYS 105  15.309   0.123 -12.382
  830   1HD   LYS 105          2HD       LYS 105  16.462   0.608 -10.333
  831   2HD   LYS 105          1HD       LYS 105  16.394  -1.148 -10.470
  832   1HE   LYS 105          2HE       LYS 105  18.758  -0.267 -11.818
  833   2HE   LYS 105          1HE       LYS 105  18.710   0.518 -10.240
  834   1HZ   LYS 105          1HZ       LYS 105  19.687  -1.473  -9.734
  835   2HZ   LYS 105          2HZ       LYS 105  18.802  -2.343 -10.893
  836   3HZ   LYS 105          3HZ       LYS 105  18.060  -1.851  -9.446


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