NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
1070 1a2s cing 1-original 2 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
    1   1H    GLU   1          1HN       GLU   1   4.090  -3.082 -12.540
    2   2H    GLU   1          2HN       GLU   1   2.564  -2.933 -13.123
    3   3H    GLU   1          3HN       GLU   1   3.638  -3.908 -13.930
    4    HA   GLU   1           HA       GLU   1   3.253  -1.727 -14.930
    5   1HB   GLU   1          3HB       GLU   1   6.131  -1.990 -13.899
    6   2HB   GLU   1          2HB       GLU   1   5.485  -3.145 -15.076
    7   1HG   GLU   1          2HG       GLU   1   5.511  -0.156 -15.612
    8   2HG   GLU   1          3HG       GLU   1   6.816  -1.265 -16.055
    9    H    ALA   2           HN       ALA   2   3.178   0.498 -14.536
   10    HA   ALA   2           HA       ALA   2   2.055   1.794 -12.788
   11   1HB   ALA   2          2HB       ALA   2   4.633   1.331 -11.229
   12   2HB   ALA   2          1HB       ALA   2   3.380   2.472 -10.791
   13   3HB   ALA   2          3HB       ALA   2   2.999   0.741 -10.791
   14    H    ASP   3           HN       ASP   3   2.356   4.043 -12.629
   15    HA   ASP   3           HA       ASP   3   5.018   5.115 -13.198
   16   1HB   ASP   3          2HB       ASP   3   3.698   5.449 -15.294
   17   2HB   ASP   3          3HB       ASP   3   2.527   6.409 -14.372
   18    H    LEU   4           HN       LEU   4   5.546   6.333 -11.549
   19    HA   LEU   4           HA       LEU   4   4.128   6.567  -9.125
   20   1HB   LEU   4          2HB       LEU   4   6.524   7.884 -10.412
   21   2HB   LEU   4          3HB       LEU   4   5.846   8.666  -8.997
   22    HG   LEU   4           HG       LEU   4   7.768   7.043  -8.629
   23   1HD1  LEU   4          3HD1      LEU   4   6.410   7.990  -6.830
   24   2HD1  LEU   4          1HD1      LEU   4   5.204   6.705  -7.039
   25   3HD1  LEU   4          2HD1      LEU   4   6.860   6.312  -6.494
   26   1HD2  LEU   4          1HD2      LEU   4   6.897   5.140 -10.011
   27   2HD2  LEU   4          2HD2      LEU   4   7.294   4.694  -8.343
   28   3HD2  LEU   4          3HD2      LEU   4   5.604   4.895  -8.814
   29    H    ALA   5           HN       ALA   5   4.153   8.691 -11.987
   30    HA   ALA   5           HA       ALA   5   3.018  11.029 -10.929
   31   1HB   ALA   5          1HB       ALA   5   2.530   9.625 -13.597
   32   2HB   ALA   5          2HB       ALA   5   2.090  11.305 -13.237
   33   3HB   ALA   5          3HB       ALA   5   3.800  10.815 -13.246
   34    H    LEU   6           HN       LEU   6   1.377   8.068 -12.136
   35    HA   LEU   6           HA       LEU   6  -1.246   9.136 -11.433
   36   1HB   LEU   6          2HB       LEU   6  -0.907   7.607 -13.368
   37   2HB   LEU   6          3HB       LEU   6  -0.412   6.325 -12.256
   38    HG   LEU   6           HG       LEU   6  -2.682   6.446 -11.172
   39   1HD1  LEU   6          1HD1      LEU   6  -3.282   8.378 -13.457
   40   2HD1  LEU   6          2HD1      LEU   6  -4.511   7.573 -12.463
   41   3HD1  LEU   6          3HD1      LEU   6  -3.403   8.718 -11.713
   42   1HD2  LEU   6          3HD2      LEU   6  -2.642   5.937 -14.179
   43   2HD2  LEU   6          1HD2      LEU   6  -2.193   4.776 -12.909
   44   3HD2  LEU   6          2HD2      LEU   6  -3.869   5.336 -13.047
   45    H    GLY   7           HN       GLY   7   0.930   6.529 -10.246
   46   1HA   GLY   7          2HA       GLY   7  -0.670   5.383  -8.316
   47   2HA   GLY   7          3HA       GLY   7   1.092   5.517  -8.179
   48    H    LYS   8           HN       LYS   8   1.417   8.315  -7.846
   49    HA   LYS   8           HA       LYS   8   0.772   8.371  -5.028
   50   1HB   LYS   8          2HB       LYS   8   2.283  10.061  -4.813
   51   2HB   LYS   8          3HB       LYS   8   2.904   9.157  -6.170
   52   1HG   LYS   8          2HG       LYS   8   3.073  11.090  -7.246
   53   2HG   LYS   8          3HG       LYS   8   1.341  11.091  -7.467
   54   1HD   LYS   8          2HD       LYS   8   2.967  12.371  -5.212
   55   2HD   LYS   8          3HD       LYS   8   2.120  13.217  -6.516
   56   1HE   LYS   8          2HE       LYS   8  -0.073  12.461  -5.583
   57   2HE   LYS   8          3HE       LYS   8   0.760  11.620  -4.268
   58   1HZ   LYS   8          1HNZ      LYS   8   0.833  14.527  -4.715
   59   2HZ   LYS   8          2HNZ      LYS   8  -0.053  13.748  -3.601
   60   3HZ   LYS   8          3HNZ      LYS   8   1.567  13.713  -3.479
   61    H    ALA   9           HN       ALA   9  -0.654   9.727  -7.965
   62    HA   ALA   9           HA       ALA   9  -2.042  11.878  -6.759
   63   1HB   ALA   9          3HB       ALA   9  -1.734  11.601  -9.227
   64   2HB   ALA   9          1HB       ALA   9  -2.903  10.262  -9.199
   65   3HB   ALA   9          2HB       ALA   9  -3.420  11.893  -8.758
   66    H    VAL  10           HN       VAL  10  -2.813   8.477  -7.349
   67    HA   VAL  10           HA       VAL  10  -5.402   8.474  -6.132
   68    HB   VAL  10           HB       VAL  10  -3.653   6.045  -5.911
   69   1HG1  VAL  10          1HG1      VAL  10  -6.539   6.449  -6.697
   70   2HG1  VAL  10          2HG1      VAL  10  -5.677   4.902  -6.691
   71   3HG1  VAL  10          3HG1      VAL  10  -5.876   5.770  -5.178
   72   1HG2  VAL  10          3HG2      VAL  10  -4.614   7.211  -8.554
   73   2HG2  VAL  10          1HG2      VAL  10  -2.959   6.705  -8.092
   74   3HG2  VAL  10          2HG2      VAL  10  -4.188   5.511  -8.301
   75    H    PHE  11           HN       PHE  11  -2.123   7.645  -4.849
   76    HA   PHE  11           HA       PHE  11  -2.787   6.787  -2.319
   77   1HB   PHE  11          2HB       PHE  11  -0.491   6.877  -3.295
   78   2HB   PHE  11          3HB       PHE  11  -0.453   8.606  -3.008
   79    HD1  PHE  11          1HD       PHE  11  -0.274   9.545  -0.732
   80    HD2  PHE  11          2HD       PHE  11  -0.203   5.286  -1.442
   81    HE1  PHE  11          1HE       PHE  11   0.556   9.171   1.563
   82    HE2  PHE  11          2HE       PHE  11   0.551   4.921   0.882
   83    HZ   PHE  11           HZ       PHE  11   0.970   6.852   2.379
   84    H    ASP  12           HN       ASP  12  -2.156  10.117  -3.303
   85    HA   ASP  12           HA       ASP  12  -2.303  11.507  -0.946
   86   1HB   ASP  12          2HB       ASP  12  -1.935  12.173  -3.509
   87   2HB   ASP  12          3HB       ASP  12  -3.625  12.661  -3.408
   88    H    GLY  13           HN       GLY  13  -5.081  10.348  -2.909
   89   1HA   GLY  13          2HA       GLY  13  -7.020  11.765  -1.147
   90   2HA   GLY  13          3HA       GLY  13  -7.328  10.993  -2.706
   91    H    ASN  14           HN       ASN  14  -5.756   8.548  -1.999
   92    HA   ASN  14           HA       ASN  14  -8.177   7.269  -0.920
   93   1HB   ASN  14          2HB       ASN  14  -5.905   6.218  -2.636
   94   2HB   ASN  14          3HB       ASN  14  -7.195   5.217  -1.989
   95   1HD2  ASN  14          2HND      ASN  14  -7.895   7.675  -5.183
   96   2HD2  ASN  14          1HND      ASN  14  -6.639   8.091  -4.038
   97    H    CYS  15           HN       CYS  15  -4.607   7.118  -0.586
   98    HA   CYS  15           HA       CYS  15  -4.891   4.998   1.463
   99   1HB   CYS  15          2HB       CYS  15  -2.450   6.053   0.104
  100   2HB   CYS  15          3HB       CYS  15  -2.539   4.594   1.094
  101    H    ALA  16           HN       ALA  16  -3.691   8.303   0.959
  102    HA   ALA  16           HA       ALA  16  -1.849   8.475   3.046
  103   1HB   ALA  16          3HB       ALA  16  -2.058  10.089   1.156
  104   2HB   ALA  16          1HB       ALA  16  -3.591  10.668   1.840
  105   3HB   ALA  16          2HB       ALA  16  -2.078  10.910   2.730
  106    H    ALA  17           HN       ALA  17  -5.336   8.925   2.932
  107    HA   ALA  17           HA       ALA  17  -5.840  10.232   5.221
  108   1HB   ALA  17          2HB       ALA  17  -7.585   9.587   3.620
  109   2HB   ALA  17          3HB       ALA  17  -7.436   7.882   4.112
  110   3HB   ALA  17          1HB       ALA  17  -8.056   9.090   5.258
  111    H    CYS  18           HN       CYS  18  -4.823   6.871   4.910
  112    HA   CYS  18           HA       CYS  18  -4.726   6.600   7.885
  113   1HB   CYS  18          2HB       CYS  18  -4.752   4.502   5.741
  114   2HB   CYS  18          3HB       CYS  18  -4.394   4.187   7.456
  115    H    HIS  19           HN       HIS  19  -2.834   5.908   4.878
  116    HA   HIS  19           HA       HIS  19  -0.501   5.612   6.606
  117   1HB   HIS  19          2HB       HIS  19  -0.894   5.002   3.679
  118   2HB   HIS  19          3HB       HIS  19   0.535   4.594   4.634
  119    HD1  HIS  19           HND      HIS  19   0.139   2.835   6.730
  120    HD2  HIS  19           HD       HIS  19  -2.651   3.143   3.598
  121    HE1  HIS  19           HE       HIS  19  -0.995   0.543   6.542
  122    H    ALA  20           HN       ALA  20  -1.438   8.474   5.707
  123    HA   ALA  20           HA       ALA  20   0.216   9.747   4.020
  124   1HB   ALA  20          3HB       ALA  20  -0.452  10.630   6.849
  125   2HB   ALA  20          1HB       ALA  20   0.227  11.689   5.595
  126   3HB   ALA  20          2HB       ALA  20  -1.373  10.976   5.367
  127    H    GLY  21           HN       GLY  21   2.339   9.863   3.601
  128   1HA   GLY  21          2HA       GLY  21   4.603   9.891   3.829
  129   2HA   GLY  21          3HA       GLY  21   4.355  10.452   5.489
  130    H    GLY  22           HN       GLY  22   3.086   7.311   4.384
  131   1HA   GLY  22          2HA       GLY  22   3.801   5.146   4.790
  132   2HA   GLY  22          3HA       GLY  22   5.410   5.747   5.239
  133    H    GLY  23           HN       GLY  23   2.121   6.434   6.422
  134   1HA   GLY  23          2HA       GLY  23   2.958   5.768   9.245
  135   2HA   GLY  23          3HA       GLY  23   1.848   7.059   8.767
  136    H    ASN  24           HN       ASN  24   0.171   6.220  10.067
  137    HA   ASN  24           HA       ASN  24  -1.596   4.491   8.675
  138   1HB   ASN  24          2HB       ASN  24  -0.002   2.960  10.216
  139   2HB   ASN  24          3HB       ASN  24  -1.060   3.571  11.476
  140   1HD2  ASN  24          2HND      ASN  24  -2.340   0.549   9.086
  141   2HD2  ASN  24          1HND      ASN  24  -0.682   1.130   9.175
  142    H    ASN  25           HN       ASN  25  -3.611   4.336  10.206
  143    HA   ASN  25           HA       ASN  25  -3.832   6.665  12.079
  144   1HB   ASN  25          2HB       ASN  25  -4.999   7.158   9.993
  145   2HB   ASN  25          3HB       ASN  25  -5.951   5.667  10.122
  146   1HD2  ASN  25          2HND      ASN  25  -7.630   8.861  11.539
  147   2HD2  ASN  25          1HND      ASN  25  -6.625   8.668  10.109
  148    H    VAL  26           HN       VAL  26  -5.298   3.561  11.017
  149    HA   VAL  26           HA       VAL  26  -6.598   3.095  13.516
  150    HB   VAL  26           HB       VAL  26  -5.959   1.146  11.271
  151   1HG1  VAL  26          1HG1      VAL  26  -8.068   1.075  13.474
  152   2HG1  VAL  26          2HG1      VAL  26  -7.948  -0.072  12.127
  153   3HG1  VAL  26          3HG1      VAL  26  -6.667  -0.008  13.341
  154   1HG2  VAL  26          3HG2      VAL  26  -8.389   2.934  11.694
  155   2HG2  VAL  26          1HG2      VAL  26  -7.217   3.058  10.365
  156   3HG2  VAL  26          2HG2      VAL  26  -8.263   1.643  10.481
  157    H    ILE  27           HN       ILE  27  -3.605   1.702  12.064
  158    HA   ILE  27           HA       ILE  27  -2.865   0.616  14.777
  159    HB   ILE  27           HB       ILE  27  -2.148  -0.533  12.073
  160   1HG1  ILE  27          2HG1      ILE  27  -4.511  -0.936  12.621
  161   2HG1  ILE  27          3HG1      ILE  27  -3.509  -2.383  12.524
  162   1HG2  ILE  27          1HG2      ILE  27  -1.494  -1.364  14.937
  163   2HG2  ILE  27          2HG2      ILE  27  -1.319  -2.437  13.537
  164   3HG2  ILE  27          3HG2      ILE  27  -0.357  -0.957  13.648
  165   1HD1  ILE  27          3HD       ILE  27  -4.389  -1.074  15.137
  166   2HD1  ILE  27          1HD       ILE  27  -5.134  -2.493  14.381
  167   3HD1  ILE  27          2HD       ILE  27  -3.471  -2.591  14.967
  168    HA   PRO  28           HA       PRO  28   0.154   3.839  13.471
  169   1HB   PRO  28          2HB       PRO  28   0.705   4.981  15.862
  170   2HB   PRO  28          3HB       PRO  28  -0.870   5.196  15.053
  171   1HG   PRO  28          2HG       PRO  28  -0.197   3.166  17.203
  172   2HG   PRO  28          3HG       PRO  28  -1.539   4.351  17.211
  173   1HD   PRO  28          2HD       PRO  28  -1.888   1.791  16.379
  174   2HD   PRO  28          3HD       PRO  28  -2.728   3.138  15.550
  175    H    ASP  29           HN       ASP  29   1.080   1.470  13.122
  176    HA   ASP  29           HA       ASP  29   3.830   1.486  14.114
  177   1HB   ASP  29          2HB       ASP  29   2.721   0.297  15.966
  178   2HB   ASP  29          3HB       ASP  29   1.976  -0.839  14.827
  179    H    HIS  30           HN       HIS  30   1.274  -0.416  12.542
  180    HA   HIS  30           HA       HIS  30   2.815  -1.548  10.393
  181   1HB   HIS  30          2HB       HIS  30  -0.115  -0.945  10.921
  182   2HB   HIS  30          3HB       HIS  30   0.409  -1.645   9.416
  183    HD1  HIS  30           HND      HIS  30  -0.300  -4.060   9.486
  184    HD2  HIS  30           HD       HIS  30   1.490  -2.752  13.036
  185    HE1  HIS  30           HE       HIS  30  -0.663  -5.923  11.229
  186    H    THR  31           HN       THR  31   4.071   0.091   9.388
  187    HA   THR  31           HA       THR  31   2.869   2.629   8.515
  188    HB   THR  31           HB       THR  31   5.238   3.082   7.843
  189    HG1  THR  31           HOG      THR  31   6.013   0.706   9.038
  190   1HG2  THR  31          3HG       THR  31   5.059   2.049  10.636
  191   2HG2  THR  31          1HG       THR  31   6.384   2.927   9.836
  192   3HG2  THR  31          2HG       THR  31   4.782   3.701  10.044
  193    H    LEU  32           HN       LEU  32   5.010   2.277   6.152
  194    HA   LEU  32           HA       LEU  32   4.190   0.001   4.786
  195   1HB   LEU  32          2HB       LEU  32   4.129   2.756   3.396
  196   2HB   LEU  32          3HB       LEU  32   3.829   1.239   2.536
  197    HG   LEU  32           HG       LEU  32   1.962   2.462   4.604
  198   1HD1  LEU  32          1HD1      LEU  32   1.949   2.628   1.592
  199   2HD1  LEU  32          2HD1      LEU  32   0.586   3.082   2.629
  200   3HD1  LEU  32          3HD1      LEU  32   2.117   3.973   2.743
  201   1HD2  LEU  32          1HD2      LEU  32   1.778  -0.067   4.154
  202   2HD2  LEU  32          2HD2      LEU  32   0.354   0.880   3.680
  203   3HD2  LEU  32          3HD2      LEU  32   1.521   0.343   2.448
  204    H    GLN  33           HN       GLN  33   6.379   0.740   6.211
  205    HA   GLN  33           HA       GLN  33   8.436   0.665   3.990
  206   1HB   GLN  33          2HB       GLN  33  10.083   0.974   5.919
  207   2HB   GLN  33          3HB       GLN  33   9.130   2.386   5.432
  208   1HG   GLN  33          2HG       GLN  33   7.798   2.351   7.293
  209   2HG   GLN  33          3HG       GLN  33   7.887   0.584   7.400
  210   1HE2  GLN  33          2HNE      GLN  33  10.984   2.836   9.040
  211   2HE2  GLN  33          1HNE      GLN  33  10.198   3.397   7.574
  212    H    LYS  34           HN       LYS  34  10.276  -0.866   4.389
  213    HA   LYS  34           HA       LYS  34   9.025  -3.302   4.233
  214   1HB   LYS  34          2HB       LYS  34  10.959  -4.386   3.708
  215   2HB   LYS  34          3HB       LYS  34  11.062  -2.808   2.977
  216   1HG   LYS  34          2HG       LYS  34  12.429  -2.940   5.609
  217   2HG   LYS  34          3HG       LYS  34  12.914  -4.229   4.516
  218   1HD   LYS  34          2HD       LYS  34  14.436  -2.338   4.335
  219   2HD   LYS  34          3HD       LYS  34  13.626  -2.701   2.799
  220   1HE   LYS  34          2HE       LYS  34  12.083  -0.875   3.090
  221   2HE   LYS  34          3HE       LYS  34  12.624  -0.563   4.735
  222   1HZ   LYS  34          1HNZ      LYS  34  14.293  -0.110   2.279
  223   2HZ   LYS  34          2HNZ      LYS  34  13.412   0.983   3.035
  224   3HZ   LYS  34          3HNZ      LYS  34  14.680   0.348   3.824
  225    H    ALA  35           HN       ALA  35  10.616  -2.045   7.108
  226    HA   ALA  35           HA       ALA  35  10.662  -4.430   8.620
  227   1HB   ALA  35          3HB       ALA  35  11.726  -2.299   9.326
  228   2HB   ALA  35          1HB       ALA  35  10.111  -1.606   9.605
  229   3HB   ALA  35          2HB       ALA  35  10.668  -2.973  10.583
  230    H    ALA  36           HN       ALA  36   7.912  -2.478   7.617
  231    HA   ALA  36           HA       ALA  36   6.086  -3.764   9.565
  232   1HB   ALA  36          2HB       ALA  36   5.637  -1.639   7.417
  233   2HB   ALA  36          3HB       ALA  36   4.361  -2.363   8.397
  234   3HB   ALA  36          1HB       ALA  36   5.650  -1.430   9.182
  235    H    ILE  37           HN       ILE  37   6.365  -3.270   6.014
  236    HA   ILE  37           HA       ILE  37   4.356  -5.078   5.286
  237    HB   ILE  37           HB       ILE  37   6.808  -4.336   3.709
  238   1HG1  ILE  37          2HG1      ILE  37   4.160  -2.986   4.129
  239   2HG1  ILE  37          3HG1      ILE  37   5.805  -2.322   4.245
  240   1HG2  ILE  37          3HG2      ILE  37   5.502  -6.360   2.824
  241   2HG2  ILE  37          1HG2      ILE  37   4.104  -5.278   2.683
  242   3HG2  ILE  37          2HG2      ILE  37   5.566  -4.992   1.722
  243   1HD1  ILE  37          2HD       ILE  37   6.056  -2.519   1.785
  244   2HD1  ILE  37          3HD       ILE  37   4.349  -3.009   1.688
  245   3HD1  ILE  37          1HD       ILE  37   4.776  -1.409   2.305
  246    H    GLU  38           HN       GLU  38   7.911  -5.851   5.603
  247    HA   GLU  38           HA       GLU  38   7.948  -8.461   4.749
  248   1HB   GLU  38          2HB       GLU  38   9.415  -7.121   7.051
  249   2HB   GLU  38          3HB       GLU  38   9.705  -8.801   6.602
  250   1HG   GLU  38          2HG       GLU  38  10.381  -8.207   4.365
  251   2HG   GLU  38          3HG       GLU  38  10.036  -6.485   4.665
  252    H    GLN  39           HN       GLN  39   6.620  -7.359   7.874
  253    HA   GLN  39           HA       GLN  39   6.082 -10.244   8.557
  254   1HB   GLN  39          2HB       GLN  39   5.917  -9.575  10.864
  255   2HB   GLN  39          3HB       GLN  39   7.506  -9.257  10.158
  256   1HG   GLN  39          2HG       GLN  39   6.847  -6.840   9.887
  257   2HG   GLN  39          3HG       GLN  39   5.358  -7.196  10.773
  258   1HE2  GLN  39          2HNE      GLN  39   8.481  -6.165  12.921
  259   2HE2  GLN  39          1HNE      GLN  39   8.140  -5.688  11.259
  260    H    PHE  40           HN       PHE  40   4.557  -6.992   8.549
  261    HA   PHE  40           HA       PHE  40   2.044  -8.166   9.395
  262   1HB   PHE  40          2HB       PHE  40   2.622  -5.307   8.561
  263   2HB   PHE  40          3HB       PHE  40   1.221  -5.940   9.397
  264    HD1  PHE  40          1HD       PHE  40   2.240  -7.571  11.593
  265    HD2  PHE  40          2HD       PHE  40   3.668  -3.831  10.007
  266    HE1  PHE  40          1HE       PHE  40   3.269  -7.028  13.773
  267    HE2  PHE  40          2HE       PHE  40   4.697  -3.300  12.199
  268    HZ   PHE  40           HZ       PHE  40   4.485  -4.873  14.077
  269    H    LEU  41           HN       LEU  41   3.422  -7.546   6.230
  270    HA   LEU  41           HA       LEU  41   0.744  -7.754   4.930
  271   1HB   LEU  41          2HB       LEU  41   2.438  -6.231   4.028
  272   2HB   LEU  41          3HB       LEU  41   3.549  -7.520   3.853
  273    HG   LEU  41           HG       LEU  41   2.972  -7.508   1.728
  274   1HD1  LEU  41          1HD1      LEU  41   0.469  -8.937   2.678
  275   2HD1  LEU  41          2HD1      LEU  41   0.998  -8.822   1.002
  276   3HD1  LEU  41          3HD1      LEU  41   2.033  -9.649   2.166
  277   1HD2  LEU  41          3HD2      LEU  41   0.336  -6.234   2.447
  278   2HD2  LEU  41          1HD2      LEU  41   1.813  -5.436   1.869
  279   3HD2  LEU  41          2HD2      LEU  41   0.918  -6.529   0.804
  280    H    ASP  42           HN       ASP  42  -0.033  -9.816   5.298
  281    HA   ASP  42           HA       ASP  42   1.482 -12.197   5.556
  282   1HB   ASP  42          2HB       ASP  42  -0.920 -11.902   6.190
  283   2HB   ASP  42          3HB       ASP  42  -1.346 -11.895   4.465
  284    H    GLY  43           HN       GLY  43   2.829 -13.011   4.054
  285   1HA   GLY  43          2HA       GLY  43   2.977 -13.973   1.715
  286   2HA   GLY  43          3HA       GLY  43   2.415 -12.398   1.141
  287    H    GLY  44           HN       GLY  44   3.962 -11.015   3.380
  288   1HA   GLY  44          2HA       GLY  44   6.066 -10.311   3.890
  289   2HA   GLY  44          3HA       GLY  44   6.779 -11.599   2.904
  290    H    PHE  45           HN       PHE  45   8.096  -9.412   2.660
  291    HA   PHE  45           HA       PHE  45   7.063  -7.244   1.218
  292   1HB   PHE  45          2HB       PHE  45   9.096  -7.381   2.703
  293   2HB   PHE  45          3HB       PHE  45  10.027  -7.989   1.355
  294    HD1  PHE  45          1HD       PHE  45  10.400  -6.436  -0.678
  295    HD2  PHE  45          2HD       PHE  45   8.514  -5.187   2.956
  296    HE1  PHE  45          1HE       PHE  45  10.642  -4.058  -1.360
  297    HE2  PHE  45          2HE       PHE  45   8.404  -2.829   2.098
  298    HZ   PHE  45           HZ       PHE  45   9.571  -2.261   0.014
  299    H    ASN  46           HN       ASN  46   5.933  -8.157  -0.623
  300    HA   ASN  46           HA       ASN  46   7.735  -8.383  -2.982
  301   1HB   ASN  46          2HB       ASN  46   5.346 -10.207  -2.546
  302   2HB   ASN  46          3HB       ASN  46   6.430 -10.161  -3.932
  303   1HD2  ASN  46          2HND      ASN  46   7.515 -11.961  -0.384
  304   2HD2  ASN  46          1HND      ASN  46   6.268 -10.708  -0.475
  305    H    ILE  47           HN       ILE  47   6.732  -7.797  -4.893
  306    HA   ILE  47           HA       ILE  47   4.743  -5.676  -4.604
  307    HB   ILE  47           HB       ILE  47   6.444  -5.310  -6.276
  308   1HG1  ILE  47          2HG1      ILE  47   4.976  -5.112  -8.396
  309   2HG1  ILE  47          3HG1      ILE  47   3.651  -5.772  -7.449
  310   1HG2  ILE  47          3HG2      ILE  47   6.989  -7.643  -6.884
  311   2HG2  ILE  47          1HG2      ILE  47   5.439  -7.751  -7.765
  312   3HG2  ILE  47          2HG2      ILE  47   6.701  -6.631  -8.293
  313   1HD1  ILE  47          1HD       ILE  47   3.970  -3.866  -5.816
  314   2HD1  ILE  47          2HD       ILE  47   5.267  -3.239  -6.853
  315   3HD1  ILE  47          3HD       ILE  47   3.602  -3.312  -7.461
  316    H    GLU  48           HN       GLU  48   4.874  -8.979  -5.972
  317    HA   GLU  48           HA       GLU  48   2.251  -9.100  -6.942
  318   1HB   GLU  48          2HB       GLU  48   3.884 -11.393  -5.763
  319   2HB   GLU  48          3HB       GLU  48   2.575 -11.481  -6.952
  320   1HG   GLU  48          2HG       GLU  48   4.287 -11.469  -8.461
  321   2HG   GLU  48          3HG       GLU  48   4.247  -9.738  -8.249
  322    H    ALA  49           HN       ALA  49   3.536  -9.653  -3.680
  323    HA   ALA  49           HA       ALA  49   1.095 -10.616  -2.512
  324   1HB   ALA  49          3HB       ALA  49   3.331 -10.932  -1.483
  325   2HB   ALA  49          1HB       ALA  49   3.412  -9.186  -1.143
  326   3HB   ALA  49          2HB       ALA  49   2.164 -10.195  -0.385
  327    H    ILE  50           HN       ILE  50   2.556  -7.329  -2.743
  328    HA   ILE  50           HA       ILE  50   0.485  -5.944  -1.308
  329    HB   ILE  50           HB       ILE  50   3.049  -5.390  -2.276
  330   1HG1  ILE  50          2HG1      ILE  50   0.972  -3.501  -1.130
  331   2HG1  ILE  50          3HG1      ILE  50   2.054  -4.585  -0.228
  332   1HG2  ILE  50          3HG2      ILE  50   2.045  -4.689  -4.492
  333   2HG2  ILE  50          1HG2      ILE  50   1.138  -3.464  -3.577
  334   3HG2  ILE  50          2HG2      ILE  50   2.924  -3.448  -3.632
  335   1HD1  ILE  50          2HD       ILE  50   4.028  -3.368  -1.194
  336   2HD1  ILE  50          3HD       ILE  50   2.898  -2.167  -1.871
  337   3HD1  ILE  50          1HD       ILE  50   3.013  -2.383  -0.132
  338    H    VAL  51           HN       VAL  51   0.968  -6.542  -4.813
  339    HA   VAL  51           HA       VAL  51  -1.423  -5.343  -5.695
  340    HB   VAL  51           HB       VAL  51   0.192  -7.703  -6.687
  341   1HG1  VAL  51          1HG1      VAL  51  -2.290  -6.505  -7.973
  342   2HG1  VAL  51          2HG1      VAL  51  -1.109  -7.526  -8.816
  343   3HG1  VAL  51          3HG1      VAL  51  -2.053  -8.192  -7.481
  344   1HG2  VAL  51          1HG2      VAL  51   1.154  -5.393  -6.851
  345   2HG2  VAL  51          2HG2      VAL  51   0.835  -6.111  -8.437
  346   3HG2  VAL  51          3HG2      VAL  51  -0.270  -4.889  -7.777
  347    H    TYR  52           HN       TYR  52  -0.861  -8.778  -4.753
  348    HA   TYR  52           HA       TYR  52  -3.657  -9.415  -4.824
  349   1HB   TYR  52          2HB       TYR  52  -1.777 -10.911  -5.445
  350   2HB   TYR  52          3HB       TYR  52  -1.255 -10.931  -3.761
  351    HD1  TYR  52          2HD       TYR  52  -4.599 -11.425  -5.471
  352    HD2  TYR  52          1HD       TYR  52  -1.521 -13.127  -2.988
  353    HE1  TYR  52          2HE       TYR  52  -5.973 -13.441  -5.175
  354    HE2  TYR  52          1HE       TYR  52  -2.864 -15.197  -2.763
  355    HH   TYR  52           HOH      TYR  52  -6.091 -15.547  -4.257
  356    H    GLN  53           HN       GLN  53  -2.559  -7.363  -2.591
  357    HA   GLN  53           HA       GLN  53  -4.049  -8.614  -0.380
  358   1HB   GLN  53          2HB       GLN  53  -1.506  -8.560  -0.004
  359   2HB   GLN  53          3HB       GLN  53  -1.639  -6.805   0.067
  360   1HG   GLN  53          3HG       GLN  53  -3.405  -8.651   1.751
  361   2HG   GLN  53          2HG       GLN  53  -1.753  -8.313   2.225
  362   1HE2  GLN  53          2HNE      GLN  53  -2.455  -5.154   3.584
  363   2HE2  GLN  53          1HNE      GLN  53  -1.303  -6.459   3.359
  364    H    ILE  54           HN       ILE  54  -2.747  -5.546  -1.850
  365    HA   ILE  54           HA       ILE  54  -4.504  -3.851  -0.687
  366    HB   ILE  54           HB       ILE  54  -2.516  -3.527  -2.386
  367   1HG1  ILE  54          2HG1      ILE  54  -2.766  -1.384  -2.715
  368   2HG1  ILE  54          3HG1      ILE  54  -4.544  -1.410  -2.886
  369   1HG2  ILE  54          3HG2      ILE  54  -3.651  -4.444  -4.434
  370   2HG2  ILE  54          1HG2      ILE  54  -4.852  -3.133  -4.294
  371   3HG2  ILE  54          2HG2      ILE  54  -3.166  -2.751  -4.631
  372   1HD1  ILE  54          3HD       ILE  54  -3.025  -1.828  -0.296
  373   2HD1  ILE  54          1HD       ILE  54  -3.862  -0.348  -0.830
  374   3HD1  ILE  54          2HD       ILE  54  -4.810  -1.774  -0.531
  375    H    GLU  55           HN       GLU  55  -5.154  -5.869  -3.601
  376    HA   GLU  55           HA       GLU  55  -7.828  -4.882  -3.877
  377   1HB   GLU  55          2HB       GLU  55  -8.152  -6.654  -5.459
  378   2HB   GLU  55          3HB       GLU  55  -6.593  -5.872  -5.693
  379   1HG   GLU  55          2HG       GLU  55  -5.534  -7.825  -4.427
  380   2HG   GLU  55          3HG       GLU  55  -7.121  -8.603  -4.461
  381    H    ASN  56           HN       ASN  56  -6.477  -7.331  -1.666
  382    HA   ASN  56           HA       ASN  56  -9.106  -8.701  -1.461
  383   1HB   ASN  56          2HB       ASN  56  -6.292  -9.377  -0.579
  384   2HB   ASN  56          3HB       ASN  56  -7.678 -10.086   0.250
  385   1HD2  ASN  56          2HND      ASN  56  -6.649 -11.639  -3.321
  386   2HD2  ASN  56          1HND      ASN  56  -5.605 -10.551  -2.434
  387    H    GLY  57           HN       GLY  57  -6.847  -6.709   0.414
  388   1HA   GLY  57          2HA       GLY  57  -7.497  -5.107   2.025
  389   2HA   GLY  57          3HA       GLY  57  -9.144  -5.737   2.021
  390    H    LYS  58           HN       LYS  58  -5.919  -6.157   3.276
  391    HA   LYS  58           HA       LYS  58  -6.587  -8.475   4.994
  392   1HB   LYS  58          2HB       LYS  58  -4.486  -8.364   3.934
  393   2HB   LYS  58          3HB       LYS  58  -4.134  -6.794   4.697
  394   1HG   LYS  58          2HG       LYS  58  -4.703  -9.093   6.542
  395   2HG   LYS  58          3HG       LYS  58  -3.211  -9.160   5.590
  396   1HD   LYS  58          2HD       LYS  58  -2.621  -6.843   6.319
  397   2HD   LYS  58          3HD       LYS  58  -3.989  -6.838   7.426
  398   1HE   LYS  58          2HE       LYS  58  -1.787  -8.930   7.483
  399   2HE   LYS  58          3HE       LYS  58  -1.707  -7.381   8.363
  400   1HZ   LYS  58          3HNZ      LYS  58  -3.641  -7.946   9.548
  401   2HZ   LYS  58          1HNZ      LYS  58  -3.770  -9.417   8.803
  402   3HZ   LYS  58          2HNZ      LYS  58  -2.483  -9.084   9.785
  403    H    GLY  59           HN       GLY  59  -7.751  -8.194   6.864
  404   1HA   GLY  59          2HA       GLY  59  -8.048  -7.616   9.046
  405   2HA   GLY  59          3HA       GLY  59  -6.554  -6.664   8.964
  406    H    ALA  60           HN       ALA  60  -7.106  -4.783   9.748
  407    HA   ALA  60           HA       ALA  60  -9.735  -3.534   9.324
  408   1HB   ALA  60          2HB       ALA  60  -8.606  -3.410  11.516
  409   2HB   ALA  60          3HB       ALA  60  -7.277  -2.485  10.783
  410   3HB   ALA  60          1HB       ALA  60  -8.920  -1.804  10.834
  411    H    MET  61           HN       MET  61  -8.739  -3.860   6.819
  412    HA   MET  61           HA       MET  61  -7.902  -1.134   6.006
  413   1HB   MET  61          2HB       MET  61  -5.938  -2.477   6.096
  414   2HB   MET  61          3HB       MET  61  -6.764  -3.827   5.310
  415   1HG   MET  61          2HG       MET  61  -6.499  -3.136   3.290
  416   2HG   MET  61          3HG       MET  61  -6.687  -1.395   3.619
  417   1HE   MET  61          1HE       MET  61  -4.646  -3.607   1.989
  418   2HE   MET  61          2HE       MET  61  -4.524  -1.888   1.542
  419   3HE   MET  61          3HE       MET  61  -3.063  -2.812   2.003
  420    HA   PRO  62           HA       PRO  62 -11.478  -1.957   3.381
  421   1HB   PRO  62          2HB       PRO  62 -11.079   0.108   1.530
  422   2HB   PRO  62          3HB       PRO  62 -11.868   0.275   3.123
  423   1HG   PRO  62          2HG       PRO  62  -9.006   0.902   2.398
  424   2HG   PRO  62          3HG       PRO  62 -10.092   1.845   3.460
  425   1HD   PRO  62          2HD       PRO  62  -8.201   0.234   4.409
  426   2HD   PRO  62          3HD       PRO  62  -9.784   0.362   5.240
  427    H    ALA  63           HN       ALA  63 -11.769  -3.203   1.549
  428    HA   ALA  63           HA       ALA  63  -9.433  -4.245   0.118
  429   1HB   ALA  63          2HB       ALA  63 -11.314  -5.730   0.769
  430   2HB   ALA  63          3HB       ALA  63 -12.429  -4.744  -0.204
  431   3HB   ALA  63          1HB       ALA  63 -11.134  -5.656  -0.993
  432    H    TRP  64           HN       TRP  64  -8.829  -3.622  -1.948
  433    HA   TRP  64           HA       TRP  64 -10.249  -1.229  -3.054
  434   1HB   TRP  64          2HB       TRP  64  -7.387  -2.133  -3.257
  435   2HB   TRP  64          3HB       TRP  64  -8.094  -0.714  -3.979
  436    HD1  TRP  64           HD       TRP  64  -7.047  -1.950  -0.526
  437    HE1  TRP  64           HNE      TRP  64  -7.037  -0.037   1.104
  438    HE3  TRP  64           HE       TRP  64  -9.267   1.554  -3.463
  439    HZ2  TRP  64          1HZ       TRP  64  -7.917   2.758   1.157
  440    HZ3  TRP  64          2HZ       TRP  64  -9.812   3.799  -2.556
  441    HH2  TRP  64           HH       TRP  64  -9.104   4.420  -0.256
  442    H    ASP  65           HN       ASP  65 -10.583  -4.375  -3.700
  443    HA   ASP  65           HA       ASP  65  -9.679  -4.812  -6.304
  444   1HB   ASP  65          2HB       ASP  65 -11.355  -6.671  -6.256
  445   2HB   ASP  65          3HB       ASP  65 -10.441  -6.621  -4.752
  446    H    GLY  66           HN       GLY  66 -12.224  -3.038  -5.239
  447   1HA   GLY  66          2HA       GLY  66 -13.409  -2.699  -8.011
  448   2HA   GLY  66          3HA       GLY  66 -14.384  -2.693  -6.539
  449    H    ARG  67           HN       ARG  67 -11.291  -1.068  -6.255
  450    HA   ARG  67           HA       ARG  67 -12.633   1.573  -6.800
  451   1HB   ARG  67          2HB       ARG  67 -11.065   0.542  -4.450
  452   2HB   ARG  67          3HB       ARG  67 -10.928   2.253  -4.855
  453   1HG   ARG  67          2HG       ARG  67 -13.711   1.145  -4.670
  454   2HG   ARG  67          3HG       ARG  67 -12.787   1.284  -3.172
  455   1HD   ARG  67          2HD       ARG  67 -14.143   3.274  -3.617
  456   2HD   ARG  67          3HD       ARG  67 -12.411   3.642  -3.469
  457    HE   ARG  67           HNE      ARG  67 -12.522   3.426  -6.107
  458   1HH1  ARG  67          1HN2      ARG  67 -14.440   5.334  -3.876
  459   2HH1  ARG  67          2HN2      ARG  67 -15.108   6.393  -5.079
  460   1HH2  ARG  67          1HN1      ARG  67 -13.435   4.739  -7.763
  461   2HH2  ARG  67          2HN1      ARG  67 -14.479   6.063  -7.357
  462    H    LEU  68           HN       LEU  68  -9.986  -0.412  -7.602
  463    HA   LEU  68           HA       LEU  68  -8.150   1.908  -7.894
  464   1HB   LEU  68          2HB       LEU  68  -8.475   0.039  -5.894
  465   2HB   LEU  68          3HB       LEU  68  -7.190  -0.700  -6.808
  466    HG   LEU  68           HG       LEU  68  -6.601   0.652  -4.746
  467   1HD1  LEU  68          1HD1      LEU  68  -5.405   1.534  -7.358
  468   2HD1  LEU  68          2HD1      LEU  68  -4.705   1.902  -5.779
  469   3HD1  LEU  68          3HD1      LEU  68  -4.857   0.213  -6.300
  470   1HD2  LEU  68          1HD2      LEU  68  -8.268   2.495  -5.196
  471   2HD2  LEU  68          2HD2      LEU  68  -6.632   2.955  -4.668
  472   3HD2  LEU  68          3HD2      LEU  68  -7.103   3.133  -6.373
  473    H    ASP  69           HN       ASP  69  -9.455  -0.552  -9.706
  474    HA   ASP  69           HA       ASP  69  -9.015  -1.715 -11.473
  475   1HB   ASP  69          2HB       ASP  69  -9.184   0.911 -11.919
  476   2HB   ASP  69          3HB       ASP  69  -7.596   0.654 -12.643
  477    H    GLU  70           HN       GLU  70  -7.513  -2.319 -13.374
  478    HA   GLU  70           HA       GLU  70  -5.192  -3.662 -12.229
  479   1HB   GLU  70          2HB       GLU  70  -6.299  -3.355 -15.030
  480   2HB   GLU  70          3HB       GLU  70  -4.646  -3.933 -14.790
  481   1HG   GLU  70          2HG       GLU  70  -5.445  -5.728 -13.293
  482   2HG   GLU  70          3HG       GLU  70  -7.119  -5.202 -13.547
  483    H    ASP  71           HN       ASP  71  -5.690  -0.438 -13.223
  484    HA   ASP  71           HA       ASP  71  -2.856   0.063 -13.963
  485   1HB   ASP  71          2HB       ASP  71  -5.350   1.808 -13.808
  486   2HB   ASP  71          3HB       ASP  71  -3.731   2.518 -13.795
  487    H    GLU  72           HN       GLU  72  -5.075   1.570 -11.547
  488    HA   GLU  72           HA       GLU  72  -2.798   2.508 -10.148
  489   1HB   GLU  72          2HB       GLU  72  -5.688   2.603  -9.249
  490   2HB   GLU  72          3HB       GLU  72  -4.320   3.433  -8.539
  491   1HG   GLU  72          2HG       GLU  72  -4.010   4.661 -10.666
  492   2HG   GLU  72          3HG       GLU  72  -5.264   3.699 -11.459
  493    H    ILE  73           HN       ILE  73  -4.760  -0.434  -9.603
  494    HA   ILE  73           HA       ILE  73  -3.658  -1.349  -7.169
  495    HB   ILE  73           HB       ILE  73  -4.155  -2.821  -9.763
  496   1HG1  ILE  73          2HG1      ILE  73  -6.168  -1.916  -8.478
  497   2HG1  ILE  73          3HG1      ILE  73  -6.161  -3.647  -8.812
  498   1HG2  ILE  73          1HG2      ILE  73  -3.256  -4.000  -7.133
  499   2HG2  ILE  73          2HG2      ILE  73  -4.087  -4.923  -8.408
  500   3HG2  ILE  73          3HG2      ILE  73  -2.528  -4.168  -8.745
  501   1HD1  ILE  73          3HD       ILE  73  -5.467  -4.033  -6.441
  502   2HD1  ILE  73          1HD       ILE  73  -5.558  -2.271  -6.179
  503   3HD1  ILE  73          2HD       ILE  73  -7.019  -3.189  -6.589
  504    H    ALA  74           HN       ALA  74  -2.089  -1.204 -10.387
  505    HA   ALA  74           HA       ALA  74   0.426  -2.280  -9.363
  506   1HB   ALA  74          3HB       ALA  74  -0.426  -2.523 -11.743
  507   2HB   ALA  74          1HB       ALA  74  -0.101  -0.807 -11.987
  508   3HB   ALA  74          2HB       ALA  74   1.236  -1.898 -11.585
  509    H    GLY  75           HN       GLY  75  -0.800   0.879 -10.471
  510   1HA   GLY  75          2HA       GLY  75   1.299   2.586 -10.225
  511   2HA   GLY  75          3HA       GLY  75  -0.340   3.032  -9.800
  512    H    VAL  76           HN       VAL  76  -1.056   2.148  -7.540
  513    HA   VAL  76           HA       VAL  76   0.550   3.855  -5.904
  514    HB   VAL  76           HB       VAL  76  -1.958   3.669  -5.913
  515   1HG1  VAL  76          3HG1      VAL  76  -2.180   1.199  -5.573
  516   2HG1  VAL  76          1HG1      VAL  76  -1.478   1.376  -3.952
  517   3HG1  VAL  76          2HG1      VAL  76  -3.010   2.171  -4.342
  518   1HG2  VAL  76          1HG2      VAL  76  -0.588   4.961  -4.305
  519   2HG2  VAL  76          2HG2      VAL  76  -2.129   4.403  -3.643
  520   3HG2  VAL  76          3HG2      VAL  76  -0.612   3.581  -3.190
  521    H    ALA  77           HN       ALA  77   0.315   0.384  -6.284
  522    HA   ALA  77           HA       ALA  77   1.584  -0.470  -3.827
  523   1HB   ALA  77          3HB       ALA  77   1.183  -1.618  -6.658
  524   2HB   ALA  77          1HB       ALA  77   2.064  -2.489  -5.438
  525   3HB   ALA  77          2HB       ALA  77   0.341  -2.105  -5.180
  526    H    ALA  78           HN       ALA  78   2.656   0.125  -7.218
  527    HA   ALA  78           HA       ALA  78   5.338  -0.396  -6.730
  528   1HB   ALA  78          1HB       ALA  78   4.381  -0.186  -8.985
  529   2HB   ALA  78          2HB       ALA  78   4.155   1.563  -8.721
  530   3HB   ALA  78          3HB       ALA  78   5.792   0.878  -8.802
  531    H    TYR  79           HN       TYR  79   3.577   2.746  -6.639
  532    HA   TYR  79           HA       TYR  79   5.669   4.416  -5.861
  533   1HB   TYR  79          2HB       TYR  79   3.480   5.315  -6.331
  534   2HB   TYR  79          3HB       TYR  79   2.759   4.384  -5.036
  535    HD1  TYR  79          2HD       TYR  79   5.941   6.288  -4.446
  536    HD2  TYR  79          1HD       TYR  79   1.645   6.238  -4.048
  537    HE1  TYR  79          2HE       TYR  79   6.042   8.311  -3.058
  538    HE2  TYR  79          1HE       TYR  79   1.799   8.239  -2.561
  539    HH   TYR  79           HOH      TYR  79   4.886   9.709  -1.636
  540    H    VAL  80           HN       VAL  80   3.442   2.756  -3.517
  541    HA   VAL  80           HA       VAL  80   4.964   3.663  -1.300
  542    HB   VAL  80           HB       VAL  80   3.698   2.123   0.057
  543   1HG1  VAL  80          1HG1      VAL  80   2.018   3.456  -2.119
  544   2HG1  VAL  80          2HG1      VAL  80   1.408   2.898  -0.566
  545   3HG1  VAL  80          3HG1      VAL  80   2.614   4.192  -0.638
  546   1HG2  VAL  80          1HG2      VAL  80   3.763   0.117  -1.134
  547   2HG2  VAL  80          2HG2      VAL  80   2.101   0.562  -0.737
  548   3HG2  VAL  80          3HG2      VAL  80   2.692   0.791  -2.396
  549    H    TYR  81           HN       TYR  81   5.254   0.684  -3.229
  550    HA   TYR  81           HA       TYR  81   7.134  -0.657  -1.601
  551   1HB   TYR  81          2HB       TYR  81   5.795  -1.571  -3.507
  552   2HB   TYR  81          3HB       TYR  81   6.889  -0.765  -4.626
  553    HD1  TYR  81          1HD       TYR  81   9.301  -1.542  -4.749
  554    HD2  TYR  81          2HD       TYR  81   6.331  -3.616  -2.405
  555    HE1  TYR  81          1HE       TYR  81  10.663  -3.604  -4.842
  556    HE2  TYR  81          2HE       TYR  81   7.714  -5.670  -2.482
  557    HH   TYR  81           HOH      TYR  81  10.791  -5.848  -4.281
  558    H    ASP  82           HN       ASP  82   7.650   1.746  -4.278
  559    HA   ASP  82           HA       ASP  82  10.498   1.680  -4.204
  560   1HB   ASP  82          2HB       ASP  82   9.248   2.840  -5.987
  561   2HB   ASP  82          3HB       ASP  82   8.712   4.070  -4.831
  562    H    GLN  83           HN       GLN  83   8.219   3.931  -2.562
  563    HA   GLN  83           HA       GLN  83  10.048   5.330  -1.033
  564   1HB   GLN  83          2HB       GLN  83   7.364   4.405   0.046
  565   2HB   GLN  83          3HB       GLN  83   8.344   5.773   0.598
  566   1HG   GLN  83          2HG       GLN  83   6.822   5.503  -1.999
  567   2HG   GLN  83          3HG       GLN  83   6.517   6.611  -0.671
  568   1HE2  GLN  83          2HNE      GLN  83   9.379   8.714  -1.523
  569   2HE2  GLN  83          1HNE      GLN  83   8.641   8.043  -0.103
  570    H    ALA  84           HN       ALA  84   8.370   2.371  -0.074
  571    HA   ALA  84           HA       ALA  84   9.490   1.885   2.408
  572   1HB   ALA  84          1HB       ALA  84   7.635   0.576   1.308
  573   2HB   ALA  84          2HB       ALA  84   8.798  -0.180   0.256
  574   3HB   ALA  84          3HB       ALA  84   8.891  -0.475   1.998
  575    H    ALA  85           HN       ALA  85  10.608   0.441  -0.692
  576    HA   ALA  85           HA       ALA  85  12.873  -0.867   0.324
  577   1HB   ALA  85          3HB       ALA  85  12.394   0.291  -2.458
  578   2HB   ALA  85          1HB       ALA  85  13.644  -0.896  -2.028
  579   3HB   ALA  85          2HB       ALA  85  11.927  -1.323  -1.886
  580    H    GLY  86           HN       GLY  86  12.686   2.280  -1.349
  581   1HA   GLY  86          2HA       GLY  86  15.379   2.988  -1.325
  582   2HA   GLY  86          3HA       GLY  86  13.998   4.100  -1.450
  583    H    ASN  87           HN       ASN  87  12.867   3.625   1.125
  584    HA   ASN  87           HA       ASN  87  12.989   4.436   3.263
  585   1HB   ASN  87          2HB       ASN  87  15.830   5.449   2.867
  586   2HB   ASN  87          3HB       ASN  87  14.899   5.374   4.345
  587   1HD2  ASN  87          2HND      ASN  87  17.391   2.579   4.303
  588   2HD2  ASN  87          1HND      ASN  87  17.504   4.303   4.018
  589    H    LYS  88           HN       LYS  88  12.638   5.706   0.424
  590    HA   LYS  88           HA       LYS  88  13.063   8.512   0.700
  591   1HB   LYS  88          2HB       LYS  88  11.495   6.750  -1.164
  592   2HB   LYS  88          3HB       LYS  88  11.546   8.506  -1.300
  593   1HG   LYS  88          2HG       LYS  88  13.970   8.443  -1.253
  594   2HG   LYS  88          3HG       LYS  88  13.972   6.667  -1.229
  595   1HD   LYS  88          2HD       LYS  88  12.845   6.540  -3.388
  596   2HD   LYS  88          3HD       LYS  88  12.527   8.293  -3.372
  597   1HE   LYS  88          2HE       LYS  88  14.981   8.645  -3.052
  598   2HE   LYS  88          3HE       LYS  88  15.255   6.940  -3.406
  599   1HZ   LYS  88          3HNZ      LYS  88  14.177   7.258  -5.559
  600   2HZ   LYS  88          1HNZ      LYS  88  13.986   8.864  -5.267
  601   3HZ   LYS  88          2HNZ      LYS  88  15.498   8.237  -5.433
  602    H    TRP  89           HN       TRP  89  10.967   6.729   2.620
  603    HA   TRP  89           HA       TRP  89   8.507   8.249   2.307
  604   1HB   TRP  89          2HB       TRP  89   9.602   6.324   4.382
  605   2HB   TRP  89          3HB       TRP  89   8.209   7.332   4.738
  606    HD1  TRP  89           HD       TRP  89   8.732   3.982   3.806
  607    HE1  TRP  89           HNE      TRP  89   6.653   2.920   2.774
  608    HE3  TRP  89           HE       TRP  89   6.269   8.276   2.503
  609    HZ2  TRP  89          1HZ       TRP  89   4.239   3.866   1.436
  610    HZ3  TRP  89          2HZ       TRP  89   4.158   8.157   1.220
  611    HH2  TRP  89           HH       TRP  89   3.145   5.976   0.678
  612    HHA  HEC  19           HGM      HIS  19  -1.371  -3.449   6.516
  613    HHB  HEC  19           HDM      HIS  19  -0.443  -0.559   0.826
  614    HHC  HEC  19           HAM      HIS  19  -5.748   2.939   1.825
  615    HHD  HEC  19           HBM      HIS  19  -5.813   0.982   7.958
  616   1HMA  HEC  19          1HM8      HIS  19   0.678  -3.420   1.272
  617   2HMA  HEC  19          2HM8      HIS  19   1.362  -1.780   1.341
  618   3HMA  HEC  19          3HM8      HIS  19   1.968  -3.016   2.437
  619   1HAA  HEC  19          1HP7      HIS  19  -0.123  -4.858   5.090
  620   2HAA  HEC  19          2HP7      HIS  19   1.103  -4.575   3.857
  621   1HBA  HEC  19          3HP7      HIS  19   2.232  -4.720   5.854
  622   2HBA  HEC  19          4HP7      HIS  19   2.272  -3.033   5.306
  623   1HMB  HEC  19          1HM1      HIS  19  -1.572   0.355  -1.435
  624   2HMB  HEC  19          2HM1      HIS  19  -1.750   2.109  -1.586
  625   3HMB  HEC  19          3HM1      HIS  19  -0.453   1.449  -0.597
  626    HAB  HEC  19          HT2A      HIS  19  -5.246   3.212  -0.171
  627   1HBB  HEC  19          HT21      HIS  19  -5.416   1.192  -1.533
  628   2HBB  HEC  19          HT22      HIS  19  -5.293   2.654  -2.511
  629   3HBB  HEC  19          HT23      HIS  19  -3.890   1.593  -2.324
  630   1HMC  HEC  19          1HM3      HIS  19  -8.290   3.635   3.422
  631   2HMC  HEC  19          2HM3      HIS  19  -7.484   4.762   4.527
  632   3HMC  HEC  19          3HM3      HIS  19  -6.777   4.450   2.976
  633    HAC  HEC  19          HT4A      HIS  19  -7.164   2.574   7.735
  634   1HBC  HEC  19          HT41      HIS  19  -9.203   2.193   6.454
  635   2HBC  HEC  19          HT42      HIS  19  -9.278   3.582   7.551
  636   3HBC  HEC  19          HT43      HIS  19  -9.090   3.848   5.817
  637   1HMD  HEC  19          1HM5      HIS  19  -5.828  -0.696   9.611
  638   2HMD  HEC  19          2HM5      HIS  19  -4.590  -1.691  10.371
  639   3HMD  HEC  19          3HM5      HIS  19  -4.300   0.038  10.154
  640   1HAD  HEC  19          1HP6      HIS  19  -2.111  -3.853   8.542
  641   2HAD  HEC  19          2HP6      HIS  19  -2.623  -2.879   9.915
  642   1HBD  HEC  19          3HP6      HIS  19  -5.007  -3.671   9.459
  643   2HBD  HEC  19          4HP6      HIS  19  -4.351  -4.678   8.176
   
  No H/Q in entry =         643


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