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
8089 1liq 5369 cing 1-original 4 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1HT       GLU   1   1.557  -3.734   4.414
    2   2H    GLU   1          2HT       GLU   1   0.227  -4.071   3.383
    3   3H    GLU   1          3HT       GLU   1   0.528  -2.463   3.902
    4    HA   GLU   1           HA       GLU   1   2.397  -2.254   2.613
    5   1HB   GLU   1          2HB       GLU   1   2.262  -5.238   2.650
    6   2HB   GLU   1          1HB       GLU   1   3.032  -4.460   1.274
    7   1HG   GLU   1          2HG       GLU   1   4.573  -3.313   2.782
    8   2HG   GLU   1          1HG       GLU   1   3.800  -4.092   4.161
    9    H    VAL   2           H        VAL   2   2.057  -1.381   0.689
   10    HA   VAL   2           HA       VAL   2  -0.424  -1.483  -0.577
   11    HB   VAL   2           HB       VAL   2   1.258   0.356  -0.768
   12   1HG1  VAL   2          1HG1      VAL   2   3.019  -1.540  -1.507
   13   2HG1  VAL   2          2HG1      VAL   2   3.211   0.173  -1.878
   14   3HG1  VAL   2          3HG1      VAL   2   2.545  -0.922  -3.089
   15   1HG2  VAL   2          1HG2      VAL   2  -0.482  -0.702  -2.815
   16   2HG2  VAL   2          2HG2      VAL   2   0.850   0.212  -3.522
   17   3HG2  VAL   2          3HG2      VAL   2  -0.205   0.970  -2.330
   18    H    ARG   3           H        ARG   3   2.459  -3.394  -1.053
   19    HA   ARG   3           HA       ARG   3   1.802  -4.464  -3.587
   20   1HB   ARG   3          2HB       ARG   3   4.016  -4.537  -2.076
   21   2HB   ARG   3          1HB       ARG   3   3.363  -6.121  -1.681
   22   1HG   ARG   3          2HG       ARG   3   3.767  -6.955  -3.739
   23   2HG   ARG   3          1HG       ARG   3   3.450  -5.418  -4.546
   24   1HD   ARG   3          2HD       ARG   3   5.693  -4.803  -3.173
   25   2HD   ARG   3          1HD       ARG   3   5.964  -6.518  -3.475
   26    HE   ARG   3           HE       ARG   3   5.239  -5.579  -5.902
   27   1HH1  ARG   3          1HH1      ARG   3   7.639  -4.568  -3.579
   28   2HH1  ARG   3          2HH1      ARG   3   8.720  -3.945  -4.779
   29   1HH2  ARG   3          1HH2      ARG   3   6.659  -4.760  -7.482
   30   2HH2  ARG   3          2HH2      ARG   3   8.164  -4.053  -6.995
   31    H    ALA   4           H        ALA   4   0.830  -5.255  -0.340
   32    HA   ALA   4           HA       ALA   4  -0.435  -7.733  -1.240
   33   1HB   ALA   4          1HB       ALA   4  -1.007  -7.746   1.346
   34   2HB   ALA   4          2HB       ALA   4   0.368  -6.643   1.398
   35   3HB   ALA   4          3HB       ALA   4   0.564  -8.265   0.734
   36    H    CYS   5           H        CYS   5  -1.259  -4.585  -1.244
   37    HA   CYS   5           HA       CYS   5  -3.870  -4.690  -0.082
   38   1HB   CYS   5          2HB       CYS   5  -2.456  -2.601  -0.421
   39   2HB   CYS   5          1HB       CYS   5  -2.922  -2.677  -2.114
   40    H    SER   6           H        SER   6  -5.861  -4.315  -1.328
   41    HA   SER   6           HA       SER   6  -5.779  -5.655  -3.949
   42   1HB   SER   6          2HB       SER   6  -6.856  -6.988  -2.100
   43   2HB   SER   6          1HB       SER   6  -8.087  -5.729  -1.996
   44    HG   SER   6           HG       SER   6  -8.969  -6.439  -3.780
   45    H    LEU   7           H        LEU   7  -5.777  -2.722  -3.011
   46    HA   LEU   7           HA       LEU   7  -8.216  -1.841  -4.397
   47   1HB   LEU   7          2HB       LEU   7  -6.330  -0.303  -2.612
   48   2HB   LEU   7          1HB       LEU   7  -7.737   0.375  -3.404
   49    HG   LEU   7           HG       LEU   7  -8.332  -1.982  -1.764
   50   1HD1  LEU   7          1HD1      LEU   7  -8.200   0.054   0.145
   51   2HD1  LEU   7          2HD1      LEU   7  -6.638   0.072  -0.673
   52   3HD1  LEU   7          3HD1      LEU   7  -7.225  -1.413   0.073
   53   1HD2  LEU   7          1HD2      LEU   7  -9.471   0.805  -1.711
   54   2HD2  LEU   7          2HD2      LEU   7 -10.222  -0.679  -1.123
   55   3HD2  LEU   7          3HD2      LEU   7  -9.977  -0.440  -2.853
   56    HA   PRO   8           HA       PRO   8  -5.732  -0.497  -7.814
   57   1HB   PRO   8          2HB       PRO   8  -7.493   1.078  -9.077
   58   2HB   PRO   8          1HB       PRO   8  -7.728  -0.671  -8.977
   59   1HG   PRO   8          2HG       PRO   8  -8.996   1.506  -7.363
   60   2HG   PRO   8          1HG       PRO   8  -9.734   0.050  -8.055
   61   1HD   PRO   8          2HD       PRO   8  -8.957   0.287  -5.429
   62   2HD   PRO   8          1HD       PRO   8  -9.089  -1.257  -6.293
   63    H    HIS   9           H        HIS   9  -6.859   1.611  -5.375
   64    HA   HIS   9           HA       HIS   9  -5.800   4.051  -6.462
   65   1HB   HIS   9          2HB       HIS   9  -7.701   3.881  -4.782
   66   2HB   HIS   9          1HB       HIS   9  -6.482   3.486  -3.573
   67    HD1  HIS   9           1HD      HIS   9  -8.155   6.308  -5.119
   68    HD2  HIS   9           2HD      HIS   9  -4.511   5.634  -3.239
   69    HE1  HIS   9           1HE      HIS   9  -7.293   8.585  -4.491
   70    HE2  HIS   9           2HE      HIS   9  -5.045   8.159  -3.435
   71    H    CYS  10           H        CYS  10  -4.887   1.880  -3.818
   72    HA   CYS  10           HA       CYS  10  -2.467   3.185  -3.188
   73   1HB   CYS  10          2HB       CYS  10  -2.945   0.256  -2.712
   74   2HB   CYS  10          1HB       CYS  10  -2.049   1.399  -1.719
   75    H    ARG  11           H        ARG  11  -3.334   0.869  -5.618
   76    HA   ARG  11           HA       ARG  11  -0.645   0.012  -6.163
   77   1HB   ARG  11          2HB       ARG  11  -2.936  -1.174  -6.674
   78   2HB   ARG  11          1HB       ARG  11  -2.865  -0.232  -8.156
   79   1HG   ARG  11          2HG       ARG  11  -0.476  -1.819  -7.379
   80   2HG   ARG  11          1HG       ARG  11  -1.883  -2.666  -8.023
   81   1HD   ARG  11          2HD       ARG  11  -0.954  -2.217 -10.019
   82   2HD   ARG  11          1HD       ARG  11  -1.660  -0.618  -9.786
   83    HE   ARG  11           HE       ARG  11   0.451   0.218  -9.637
   84   1HH1  ARG  11          1HH1      ARG  11   0.579  -3.188  -8.889
   85   2HH1  ARG  11          2HH1      ARG  11   2.305  -3.223  -8.760
   86   1HH2  ARG  11          1HH2      ARG  11   2.722   0.174  -9.468
   87   2HH2  ARG  11          2HH2      ARG  11   3.522  -1.314  -9.088
   88    H    THR  12           H        THR  12   0.445   2.010  -6.433
   89    HA   THR  12           HA       THR  12   0.043   3.181  -9.096
   90    HB   THR  12           HB       THR  12   0.528   4.716  -6.536
   91    HG1  THR  12           1HG      THR  12  -1.639   4.122  -6.865
   92   1HG2  THR  12          1HG2      THR  12   1.231   5.444  -9.176
   93   2HG2  THR  12          2HG2      THR  12   1.293   6.421  -7.709
   94   3HG2  THR  12          3HG2      THR  12  -0.166   6.409  -8.699
   95    H    MET  13           H        MET  13   2.299   4.068  -6.511
   96    HA   MET  13           HA       MET  13   4.506   3.231  -8.271
   97   1HB   MET  13          2HB       MET  13   4.307   5.509  -6.306
   98   2HB   MET  13          1HB       MET  13   5.841   4.958  -6.966
   99   1HG   MET  13          2HG       MET  13   3.568   5.768  -8.741
  100   2HG   MET  13          1HG       MET  13   4.697   6.949  -8.078
  101   1HE   MET  13          1HE       MET  13   5.173   4.987 -11.944
  102   2HE   MET  13          2HE       MET  13   4.052   6.167 -11.267
  103   3HE   MET  13          3HE       MET  13   3.927   4.469 -10.808
  104    H    LYS  14           H        LYS  14   2.898   2.133  -5.722
  105    HA   LYS  14           HA       LYS  14   3.382   0.463  -4.254
  106   1HB   LYS  14          2HB       LYS  14   5.265  -0.759  -4.500
  107   2HB   LYS  14          1HB       LYS  14   5.500   0.247  -5.919
  108   1HG   LYS  14          2HG       LYS  14   6.758   1.794  -4.190
  109   2HG   LYS  14          1HG       LYS  14   6.916   0.275  -3.312
  110   1HD   LYS  14          2HD       LYS  14   7.541   0.131  -6.182
  111   2HD   LYS  14          1HD       LYS  14   8.641   1.124  -5.224
  112   1HE   LYS  14          2HE       LYS  14   8.542  -0.968  -3.609
  113   2HE   LYS  14          1HE       LYS  14   8.117  -1.802  -5.103
  114   1HZ   LYS  14          1HZ       LYS  14  10.546  -0.140  -4.697
  115   2HZ   LYS  14          2HZ       LYS  14  10.144  -0.979  -6.109
  116   3HZ   LYS  14          3HZ       LYS  14  10.504  -1.832  -4.694
  117    H    ASN  15           H        ASN  15   3.410   3.431  -3.763
  118    HA   ASN  15           HA       ASN  15   5.203   4.018  -1.676
  119   1HB   ASN  15          2HB       ASN  15   2.467   5.241  -2.010
  120   2HB   ASN  15          1HB       ASN  15   3.915   5.977  -1.342
  121   1HD2  ASN  15          1HD2      ASN  15   5.616   6.558  -2.760
  122   2HD2  ASN  15          2HD2      ASN  15   5.304   6.860  -4.433
  123    H    VAL  16           H        VAL  16   5.008   1.971  -0.494
  124    HA   VAL  16           HA       VAL  16   2.794   0.966   0.772
  125    HB   VAL  16           HB       VAL  16   5.507   1.130   2.067
  126   1HG1  VAL  16          1HG1      VAL  16   3.030  -0.361   2.590
  127   2HG1  VAL  16          2HG1      VAL  16   4.337   0.093   3.684
  128   3HG1  VAL  16          3HG1      VAL  16   4.511  -1.319   2.642
  129   1HG2  VAL  16          1HG2      VAL  16   5.578  -1.257   0.899
  130   2HG2  VAL  16          2HG2      VAL  16   6.151   0.202   0.091
  131   3HG2  VAL  16          3HG2      VAL  16   4.543  -0.429  -0.263
  132    H    LEU  17           H        LEU  17   4.846   3.644   1.843
  133    HA   LEU  17           HA       LEU  17   3.706   4.007   4.372
  134   1HB   LEU  17          2HB       LEU  17   5.237   5.734   2.492
  135   2HB   LEU  17          1HB       LEU  17   4.442   6.496   3.856
  136    HG   LEU  17           HG       LEU  17   6.189   4.137   4.378
  137   1HD1  LEU  17          1HD1      LEU  17   7.813   5.182   3.178
  138   2HD1  LEU  17          2HD1      LEU  17   7.993   6.049   4.704
  139   3HD1  LEU  17          3HD1      LEU  17   7.090   6.779   3.376
  140   1HD2  LEU  17          1HD2      LEU  17   5.948   6.694   5.926
  141   2HD2  LEU  17          2HD2      LEU  17   6.446   5.099   6.491
  142   3HD2  LEU  17          3HD2      LEU  17   4.757   5.403   6.083
  143    H    ASN  18           H        ASN  18   2.733   5.102   1.216
  144    HA   ASN  18           HA       ASN  18   0.686   6.868   2.157
  145   1HB   ASN  18          2HB       ASN  18   1.911   6.271  -0.336
  146   2HB   ASN  18          1HB       ASN  18   0.181   6.019  -0.528
  147   1HD2  ASN  18          1HD2      ASN  18   2.583   8.339   0.601
  148   2HD2  ASN  18          2HD2      ASN  18   1.658   9.750   0.228
  149    H    HIS  19           H        HIS  19   0.898   3.500   1.336
  150    HA   HIS  19           HA       HIS  19  -1.936   3.102   1.145
  151   1HB   HIS  19          2HB       HIS  19  -0.865   1.506  -0.112
  152   2HB   HIS  19          1HB       HIS  19   0.487   1.380   1.004
  153    HD2  HIS  19           2HD      HIS  19   0.383  -0.693   2.738
  154    HE1  HIS  19           1HE      HIS  19  -3.569  -1.893   1.840
  155    HE2  HIS  19           2HE      HIS  19  -1.387  -2.575   2.945
  156    H    MET  20           H        MET  20   0.518   2.021   3.511
  157    HA   MET  20           HA       MET  20  -1.267   0.970   5.370
  158   1HB   MET  20          2HB       MET  20   1.466   2.192   5.746
  159   2HB   MET  20          1HB       MET  20   0.586   1.391   7.041
  160   1HG   MET  20          2HG       MET  20   0.568  -0.680   5.760
  161   2HG   MET  20          1HG       MET  20   1.427   0.120   4.445
  162   1HE   MET  20          1HE       MET  20   1.928  -2.479   5.946
  163   2HE   MET  20          2HE       MET  20   2.209  -2.159   7.658
  164   3HE   MET  20          3HE       MET  20   3.562  -2.569   6.603
  165    H    THR  21           H        THR  21  -0.583   4.252   4.611
  166    HA   THR  21           HA       THR  21  -1.233   5.481   7.046
  167    HB   THR  21           HB       THR  21  -0.236   6.431   4.813
  168    HG1  THR  21           1HG      THR  21  -0.261   7.800   6.471
  169   1HG2  THR  21          1HG2      THR  21  -2.901   7.645   4.424
  170   2HG2  THR  21          2HG2      THR  21  -2.627   6.042   3.741
  171   3HG2  THR  21          3HG2      THR  21  -1.586   7.389   3.277
  172    H    HIS  22           H        HIS  22  -3.201   4.067   4.579
  173    HA   HIS  22           HA       HIS  22  -5.607   4.888   6.077
  174   1HB   HIS  22          2HB       HIS  22  -6.841   4.805   3.897
  175   2HB   HIS  22          1HB       HIS  22  -5.657   6.100   4.016
  176    HD1  HIS  22           1HD      HIS  22  -5.044   6.386   1.619
  177    HD2  HIS  22           2HD      HIS  22  -4.822   2.401   2.808
  178    HE1  HIS  22           1HE      HIS  22  -4.003   5.154  -0.310
  179    HE2  HIS  22           2HE      HIS  22  -3.646   2.826   0.562
  180    H    CYS  23           H        CYS  23  -3.838   2.327   4.605
  181    HA   CYS  23           HA       CYS  23  -6.085   0.491   4.858
  182   1HB   CYS  23          2HB       CYS  23  -3.615   0.665   3.259
  183   2HB   CYS  23          1HB       CYS  23  -4.068  -0.946   3.774
  184    H    GLN  24           H        GLN  24  -5.591  -1.687   5.745
  185    HA   GLN  24           HA       GLN  24  -3.885  -1.434   8.123
  186   1HB   GLN  24          2HB       GLN  24  -6.002  -3.529   7.660
  187   2HB   GLN  24          1HB       GLN  24  -5.257  -3.062   9.183
  188   1HG   GLN  24          2HG       GLN  24  -6.319  -0.721   8.564
  189   2HG   GLN  24          1HG       GLN  24  -7.417  -1.745   7.639
  190   1HE2  GLN  24          1HE2      GLN  24  -6.725  -0.435  10.644
  191   2HE2  GLN  24          2HE2      GLN  24  -7.825  -1.369  11.595
  192    H    ALA  25           H        ALA  25  -2.080  -2.590   8.282
  193    HA   ALA  25           HA       ALA  25  -1.766  -5.233   7.362
  194   1HB   ALA  25          1HB       ALA  25  -1.780  -4.020   5.167
  195   2HB   ALA  25          2HB       ALA  25  -0.334  -4.981   5.476
  196   3HB   ALA  25          3HB       ALA  25  -0.287  -3.228   5.669
  197    H    GLY  26           H        GLY  26  -1.242  -3.709   9.713
  198   1HA   GLY  26          2HA       GLY  26   1.495  -3.048   9.987
  199   2HA   GLY  26          1HA       GLY  26   0.382  -3.385  11.305
  200    H    LYS  27           H        LYS  27   1.165  -4.912  12.583
  201    HA   LYS  27           HA       LYS  27   2.329  -7.310  11.342
  202   1HB   LYS  27          2HB       LYS  27   4.143  -5.873  12.206
  203   2HB   LYS  27          1HB       LYS  27   3.403  -5.915  13.800
  204   1HG   LYS  27          2HG       LYS  27   4.922  -7.560  14.096
  205   2HG   LYS  27          1HG       LYS  27   3.627  -8.535  13.398
  206   1HD   LYS  27          2HD       LYS  27   5.478  -7.258  11.483
  207   2HD   LYS  27          1HD       LYS  27   6.155  -8.546  12.480
  208   1HE   LYS  27          2HE       LYS  27   3.530  -8.992  11.146
  209   2HE   LYS  27          1HE       LYS  27   4.998  -9.067  10.172
  210   1HZ   LYS  27          1HZ       LYS  27   4.047 -10.880  12.237
  211   2HZ   LYS  27          2HZ       LYS  27   5.713 -10.590  12.217
  212   3HZ   LYS  27          3HZ       LYS  27   4.945 -11.204  10.840
  Start of MODEL    2
    1   1H    GLU   1          1HT       GLU   1   0.623  -4.060   3.794
    2   2H    GLU   1          2HT       GLU   1   0.530  -2.350   3.909
    3   3H    GLU   1          3HT       GLU   1   1.818  -3.195   4.666
    4    HA   GLU   1           HA       GLU   1   2.561  -2.142   2.683
    5   1HB   GLU   1          2HB       GLU   1   2.389  -5.131   2.868
    6   2HB   GLU   1          1HB       GLU   1   3.196  -4.392   1.491
    7   1HG   GLU   1          2HG       GLU   1   4.892  -3.512   2.788
    8   2HG   GLU   1          1HG       GLU   1   3.939  -3.591   4.269
    9    H    VAL   2           H        VAL   2   2.235  -1.521   0.634
   10    HA   VAL   2           HA       VAL   2  -0.343  -1.700  -0.488
   11    HB   VAL   2           HB       VAL   2   1.293   0.160  -0.859
   12   1HG1  VAL   2          1HG1      VAL   2   3.200  -0.061  -2.037
   13   2HG1  VAL   2          2HG1      VAL   2   2.503  -1.235  -3.153
   14   3HG1  VAL   2          3HG1      VAL   2   3.057  -1.753  -1.561
   15   1HG2  VAL   2          1HG2      VAL   2  -0.729  -0.733  -2.447
   16   2HG2  VAL   2          2HG2      VAL   2   0.606  -0.642  -3.596
   17   3HG2  VAL   2          3HG2      VAL   2   0.134   0.788  -2.678
   18    H    ARG   3           H        ARG   3   2.569  -3.572  -0.941
   19    HA   ARG   3           HA       ARG   3   1.968  -4.798  -3.384
   20   1HB   ARG   3          2HB       ARG   3   4.172  -4.902  -2.244
   21   2HB   ARG   3          1HB       ARG   3   3.478  -5.991  -1.052
   22   1HG   ARG   3          2HG       ARG   3   3.346  -7.747  -2.531
   23   2HG   ARG   3          1HG       ARG   3   3.312  -6.692  -3.945
   24   1HD   ARG   3          2HD       ARG   3   5.749  -6.650  -2.252
   25   2HD   ARG   3          1HD       ARG   3   5.474  -8.078  -3.249
   26    HE   ARG   3           HE       ARG   3   5.205  -5.600  -4.680
   27   1HH1  ARG   3          1HH1      ARG   3   7.444  -8.047  -3.593
   28   2HH1  ARG   3          2HH1      ARG   3   8.612  -7.703  -4.824
   29   1HH2  ARG   3          1HH2      ARG   3   6.741  -5.146  -6.300
   30   2HH2  ARG   3          2HH2      ARG   3   8.213  -6.056  -6.361
   31    H    ALA   4           H        ALA   4   0.769  -5.375  -0.168
   32    HA   ALA   4           HA       ALA   4  -0.573  -7.825  -1.050
   33   1HB   ALA   4          1HB       ALA   4   0.774  -7.574   1.163
   34   2HB   ALA   4          2HB       ALA   4  -0.744  -8.471   1.155
   35   3HB   ALA   4          3HB       ALA   4  -0.703  -6.813   1.754
   36    H    CYS   5           H        CYS   5  -1.227  -4.642  -1.149
   37    HA   CYS   5           HA       CYS   5  -3.868  -4.579  -0.056
   38   1HB   CYS   5          2HB       CYS   5  -2.347  -2.573  -0.403
   39   2HB   CYS   5          1HB       CYS   5  -2.757  -2.672  -2.109
   40    H    SER   6           H        SER   6  -5.806  -4.151  -1.351
   41    HA   SER   6           HA       SER   6  -5.723  -5.495  -3.970
   42   1HB   SER   6          2HB       SER   6  -8.237  -6.010  -3.283
   43   2HB   SER   6          1HB       SER   6  -6.916  -7.061  -2.773
   44    HG   SER   6           HG       SER   6  -8.583  -6.089  -1.176
   45    H    LEU   7           H        LEU   7  -5.675  -2.584  -3.031
   46    HA   LEU   7           HA       LEU   7  -8.119  -1.653  -4.376
   47   1HB   LEU   7          2HB       LEU   7  -6.177  -0.158  -2.614
   48   2HB   LEU   7          1HB       LEU   7  -7.582   0.550  -3.384
   49    HG   LEU   7           HG       LEU   7  -8.198  -1.801  -1.743
   50   1HD1  LEU   7          1HD1      LEU   7  -6.460   0.233  -0.670
   51   2HD1  LEU   7          2HD1      LEU   7  -7.038  -1.259   0.071
   52   3HD1  LEU   7          3HD1      LEU   7  -8.007   0.211   0.178
   53   1HD2  LEU   7          1HD2      LEU   7  -9.285   1.006  -1.656
   54   2HD2  LEU   7          2HD2      LEU   7 -10.057  -0.471  -1.078
   55   3HD2  LEU   7          3HD2      LEU   7  -9.825  -0.217  -2.808
   56    HA   PRO   8           HA       PRO   8  -5.672  -0.336  -7.829
   57   1HB   PRO   8          2HB       PRO   8  -7.419   1.293  -9.044
   58   2HB   PRO   8          1HB       PRO   8  -7.693  -0.452  -8.956
   59   1HG   PRO   8          2HG       PRO   8  -8.879   1.739  -7.297
   60   2HG   PRO   8          1HG       PRO   8  -9.664   0.308  -7.989
   61   1HD   PRO   8          2HD       PRO   8  -8.833   0.500  -5.376
   62   2HD   PRO   8          1HD       PRO   8  -9.015  -1.032  -6.252
   63    H    HIS   9           H        HIS   9  -6.720   1.784  -5.360
   64    HA   HIS   9           HA       HIS   9  -5.616   4.205  -6.440
   65   1HB   HIS   9          2HB       HIS   9  -7.493   4.069  -4.732
   66   2HB   HIS   9          1HB       HIS   9  -6.268   3.626  -3.546
   67    HD1  HIS   9           1HD      HIS   9  -7.889   6.510  -5.030
   68    HD2  HIS   9           2HD      HIS   9  -4.233   5.718  -3.220
   69    HE1  HIS   9           1HE      HIS   9  -6.957   8.756  -4.389
   70    HE2  HIS   9           2HE      HIS   9  -4.786   8.246  -3.216
   71    H    CYS  10           H        CYS  10  -4.697   1.935  -3.887
   72    HA   CYS  10           HA       CYS  10  -2.223   3.198  -3.301
   73   1HB   CYS  10          2HB       CYS  10  -2.793   0.301  -2.746
   74   2HB   CYS  10          1HB       CYS  10  -1.848   1.440  -1.794
   75    H    ARG  11           H        ARG  11  -3.244   0.855  -5.648
   76    HA   ARG  11           HA       ARG  11  -0.648  -0.185  -6.233
   77   1HB   ARG  11          2HB       ARG  11  -2.691  -1.437  -6.764
   78   2HB   ARG  11          1HB       ARG  11  -3.170  -0.185  -7.902
   79   1HG   ARG  11          2HG       ARG  11  -0.773  -0.768  -8.916
   80   2HG   ARG  11          1HG       ARG  11  -1.149  -2.322  -8.169
   81   1HD   ARG  11          2HD       ARG  11  -3.475  -1.923  -9.360
   82   2HD   ARG  11          1HD       ARG  11  -2.491  -0.913 -10.419
   83    HE   ARG  11           HE       ARG  11  -2.573  -3.749 -10.373
   84   1HH1  ARG  11          1HH1      ARG  11  -0.406  -1.057 -10.861
   85   2HH1  ARG  11          2HH1      ARG  11   0.670  -1.948 -11.884
   86   1HH2  ARG  11          1HH2      ARG  11  -1.157  -4.922 -11.718
   87   2HH2  ARG  11          2HH2      ARG  11   0.244  -4.142 -12.371
   88    H    THR  12           H        THR  12   0.629   1.700  -6.459
   89    HA   THR  12           HA       THR  12   0.510   2.838  -9.143
   90    HB   THR  12           HB       THR  12   0.595   4.496  -6.617
   91    HG1  THR  12           1HG      THR  12  -1.423   4.915  -7.021
   92   1HG2  THR  12          1HG2      THR  12   0.236   6.028  -9.008
   93   2HG2  THR  12          2HG2      THR  12   1.750   5.127  -9.084
   94   3HG2  THR  12          3HG2      THR  12   1.435   6.210  -7.728
   95    H    MET  13           H        MET  13   2.413   4.252  -6.572
   96    HA   MET  13           HA       MET  13   4.831   3.194  -7.846
   97   1HB   MET  13          2HB       MET  13   4.204   5.669  -6.294
   98   2HB   MET  13          1HB       MET  13   5.846   5.042  -6.244
   99   1HG   MET  13          2HG       MET  13   4.545   5.376  -8.892
  100   2HG   MET  13          1HG       MET  13   5.092   6.815  -8.033
  101   1HE   MET  13          1HE       MET  13   6.942   7.806  -8.389
  102   2HE   MET  13          2HE       MET  13   8.458   7.227  -9.078
  103   3HE   MET  13          3HE       MET  13   8.122   6.991  -7.363
  104    H    LYS  14           H        LYS  14   3.000   1.878  -5.829
  105    HA   LYS  14           HA       LYS  14   3.114   0.587  -3.975
  106   1HB   LYS  14          2HB       LYS  14   5.073  -0.740  -3.697
  107   2HB   LYS  14          1HB       LYS  14   4.876  -0.458  -5.419
  108   1HG   LYS  14          2HG       LYS  14   6.711   0.937  -5.536
  109   2HG   LYS  14          1HG       LYS  14   6.663   1.318  -3.814
  110   1HD   LYS  14          2HD       LYS  14   7.088  -1.520  -4.457
  111   2HD   LYS  14          1HD       LYS  14   8.391  -0.436  -4.948
  112   1HE   LYS  14          2HE       LYS  14   7.295  -0.060  -2.226
  113   2HE   LYS  14          1HE       LYS  14   8.231  -1.528  -2.507
  114   1HZ   LYS  14          1HZ       LYS  14   9.156   1.249  -3.018
  115   2HZ   LYS  14          2HZ       LYS  14  10.054  -0.152  -3.320
  116   3HZ   LYS  14          3HZ       LYS  14   9.642   0.260  -1.733
  117    H    ASN  15           H        ASN  15   3.248   3.390  -3.525
  118    HA   ASN  15           HA       ASN  15   5.224   4.027  -1.586
  119   1HB   ASN  15          2HB       ASN  15   2.794   5.293  -2.683
  120   2HB   ASN  15          1HB       ASN  15   3.186   5.750  -1.028
  121   1HD2  ASN  15          1HD2      ASN  15   5.770   5.982  -0.870
  122   2HD2  ASN  15          2HD2      ASN  15   6.409   7.104  -2.018
  123    H    VAL  16           H        VAL  16   5.033   2.031  -0.327
  124    HA   VAL  16           HA       VAL  16   2.908   1.074   1.070
  125    HB   VAL  16           HB       VAL  16   5.635   1.387   2.305
  126   1HG1  VAL  16          1HG1      VAL  16   3.237  -0.260   2.878
  127   2HG1  VAL  16          2HG1      VAL  16   4.406   0.465   3.983
  128   3HG1  VAL  16          3HG1      VAL  16   4.818  -1.008   3.106
  129   1HG2  VAL  16          1HG2      VAL  16   5.769  -1.052   1.266
  130   2HG2  VAL  16          2HG2      VAL  16   6.271   0.378   0.364
  131   3HG2  VAL  16          3HG2      VAL  16   4.680  -0.329   0.082
  132    H    LEU  17           H        LEU  17   4.887   3.873   1.960
  133    HA   LEU  17           HA       LEU  17   3.732   4.319   4.482
  134   1HB   LEU  17          2HB       LEU  17   5.264   5.985   2.545
  135   2HB   LEU  17          1HB       LEU  17   4.454   6.788   3.877
  136    HG   LEU  17           HG       LEU  17   6.195   4.464   4.526
  137   1HD1  LEU  17          1HD1      LEU  17   8.199   5.529   4.229
  138   2HD1  LEU  17          2HD1      LEU  17   7.475   7.138   4.256
  139   3HD1  LEU  17          3HD1      LEU  17   7.312   6.121   2.824
  140   1HD2  LEU  17          1HD2      LEU  17   5.156   6.915   5.820
  141   2HD2  LEU  17          2HD2      LEU  17   6.751   6.355   6.322
  142   3HD2  LEU  17          3HD2      LEU  17   5.356   5.286   6.466
  143    H    ASN  18           H        ASN  18   2.801   5.271   1.267
  144    HA   ASN  18           HA       ASN  18   0.707   7.040   2.102
  145   1HB   ASN  18          2HB       ASN  18   1.972   7.058  -0.142
  146   2HB   ASN  18          1HB       ASN  18   0.893   5.749  -0.611
  147   1HD2  ASN  18          1HD2      ASN  18   1.169   9.123   0.106
  148   2HD2  ASN  18          2HD2      ASN  18  -0.398   9.584  -0.456
  149    H    HIS  19           H        HIS  19   0.983   3.666   1.278
  150    HA   HIS  19           HA       HIS  19  -1.827   3.196   1.090
  151   1HB   HIS  19          2HB       HIS  19  -0.672   1.610  -0.115
  152   2HB   HIS  19          1HB       HIS  19   0.634   1.516   1.057
  153    HD2  HIS  19           2HD      HIS  19   0.508  -0.568   2.761
  154    HE1  HIS  19           1HE      HIS  19  -3.433  -1.769   1.816
  155    HE2  HIS  19           2HE      HIS  19  -1.392  -2.263   3.237
  156    H    MET  20           H        MET  20   0.606   2.239   3.527
  157    HA   MET  20           HA       MET  20  -1.196   1.189   5.376
  158   1HB   MET  20          2HB       MET  20   1.428   2.559   5.982
  159   2HB   MET  20          1HB       MET  20   0.583   1.423   7.024
  160   1HG   MET  20          2HG       MET  20   1.229   0.466   4.313
  161   2HG   MET  20          1HG       MET  20   2.594   0.739   5.394
  162   1HE   MET  20          1HE       MET  20  -1.043  -0.411   6.576
  163   2HE   MET  20          2HE       MET  20  -0.896  -2.143   6.275
  164   3HE   MET  20          3HE       MET  20  -0.830  -1.005   4.929
  165    H    THR  21           H        THR  21  -0.567   4.465   4.554
  166    HA   THR  21           HA       THR  21  -1.252   5.732   6.960
  167    HB   THR  21           HB       THR  21  -0.278   6.649   4.691
  168    HG1  THR  21           1HG      THR  21  -0.524   8.604   5.552
  169   1HG2  THR  21          1HG2      THR  21  -2.958   7.841   4.338
  170   2HG2  THR  21          2HG2      THR  21  -2.683   6.234   3.664
  171   3HG2  THR  21          3HG2      THR  21  -1.662   7.584   3.170
  172    H    HIS  22           H        HIS  22  -3.186   4.224   4.522
  173    HA   HIS  22           HA       HIS  22  -5.611   5.032   5.996
  174   1HB   HIS  22          2HB       HIS  22  -6.825   4.829   3.790
  175   2HB   HIS  22          1HB       HIS  22  -5.724   6.194   3.926
  176    HD1  HIS  22           1HD      HIS  22  -4.922   6.532   1.612
  177    HD2  HIS  22           2HD      HIS  22  -4.791   2.513   2.697
  178    HE1  HIS  22           1HE      HIS  22  -3.801   5.345  -0.300
  179    HE2  HIS  22           2HE      HIS  22  -3.516   2.987   0.515
  180    H    CYS  23           H        CYS  23  -3.836   2.493   4.445
  181    HA   CYS  23           HA       CYS  23  -6.016   0.604   4.769
  182   1HB   CYS  23          2HB       CYS  23  -3.525   0.804   3.205
  183   2HB   CYS  23          1HB       CYS  23  -3.955  -0.806   3.738
  184    H    GLN  24           H        GLN  24  -5.114  -1.685   5.454
  185    HA   GLN  24           HA       GLN  24  -3.326  -1.395   7.765
  186   1HB   GLN  24          2HB       GLN  24  -4.802  -2.759   9.144
  187   2HB   GLN  24          1HB       GLN  24  -5.640  -1.315   8.591
  188   1HG   GLN  24          2HG       GLN  24  -6.361  -2.998   6.646
  189   2HG   GLN  24          1HG       GLN  24  -6.124  -4.155   7.954
  190   1HE2  GLN  24          1HE2      GLN  24  -8.577  -3.358   6.608
  191   2HE2  GLN  24          2HE2      GLN  24  -9.628  -2.753   7.839
  192    H    ALA  25           H        ALA  25  -3.169  -3.850   8.722
  193    HA   ALA  25           HA       ALA  25  -2.576  -6.045   8.378
  194   1HB   ALA  25          1HB       ALA  25  -3.038  -7.183   6.434
  195   2HB   ALA  25          2HB       ALA  25  -2.682  -5.795   5.407
  196   3HB   ALA  25          3HB       ALA  25  -4.185  -5.848   6.326
  197    H    GLY  26           H        GLY  26  -0.584  -5.056   9.183
  198   1HA   GLY  26          2HA       GLY  26   1.568  -5.430   7.234
  199   2HA   GLY  26          1HA       GLY  26   1.492  -3.888   8.073
  200    H    LYS  27           H        LYS  27   1.544  -3.978  10.468
  201    HA   LYS  27           HA       LYS  27   2.340  -6.268  11.882
  202   1HB   LYS  27          2HB       LYS  27   4.371  -5.588  10.286
  203   2HB   LYS  27          1HB       LYS  27   4.713  -4.493  11.619
  204   1HG   LYS  27          2HG       LYS  27   5.303  -6.164  13.026
  205   2HG   LYS  27          1HG       LYS  27   4.163  -7.312  12.319
  206   1HD   LYS  27          2HD       LYS  27   5.859  -6.973  10.247
  207   2HD   LYS  27          1HD       LYS  27   6.964  -6.727  11.601
  208   1HE   LYS  27          2HE       LYS  27   5.136  -9.028  11.833
  209   2HE   LYS  27          1HE       LYS  27   6.356  -9.145  10.565
  210   1HZ   LYS  27          1HZ       LYS  27   6.809  -9.878  13.059
  211   2HZ   LYS  27          2HZ       LYS  27   7.270  -8.256  13.185
  212   3HZ   LYS  27          3HZ       LYS  27   8.028  -9.265  12.059
  Start of MODEL    3
    1   1H    GLU   1          1HT       GLU   1   0.617  -4.045   3.581
    2   2H    GLU   1          2HT       GLU   1   0.854  -2.398   4.002
    3   3H    GLU   1          3HT       GLU   1   1.945  -3.595   4.567
    4    HA   GLU   1           HA       GLU   1   2.727  -2.206   2.693
    5   1HB   GLU   1          2HB       GLU   1   2.598  -5.197   2.776
    6   2HB   GLU   1          1HB       GLU   1   3.388  -4.415   1.413
    7   1HG   GLU   1          2HG       GLU   1   4.957  -3.334   2.871
    8   2HG   GLU   1          1HG       GLU   1   4.107  -3.935   4.294
    9    H    VAL   2           H        VAL   2   2.305  -1.363   0.777
   10    HA   VAL   2           HA       VAL   2  -0.196  -1.554  -0.436
   11    HB   VAL   2           HB       VAL   2   1.435   0.326  -0.692
   12   1HG1  VAL   2          1HG1      VAL   2   3.231  -1.531  -1.435
   13   2HG1  VAL   2          2HG1      VAL   2   3.362   0.177  -1.853
   14   3HG1  VAL   2          3HG1      VAL   2   2.700  -0.968  -3.020
   15   1HG2  VAL   2          1HG2      VAL   2  -0.324  -0.810  -2.681
   16   2HG2  VAL   2          2HG2      VAL   2   0.968   0.125  -3.434
   17   3HG2  VAL   2          3HG2      VAL   2  -0.078   0.877  -2.230
   18    H    ARG   3           H        ARG   3   2.731  -3.389  -0.945
   19    HA   ARG   3           HA       ARG   3   2.076  -4.516  -3.447
   20   1HB   ARG   3          2HB       ARG   3   4.328  -4.509  -2.164
   21   2HB   ARG   3          1HB       ARG   3   3.708  -5.951  -1.373
   22   1HG   ARG   3          2HG       ARG   3   3.943  -7.233  -3.216
   23   2HG   ARG   3          1HG       ARG   3   3.562  -5.910  -4.320
   24   1HD   ARG   3          2HD       ARG   3   5.877  -4.986  -3.443
   25   2HD   ARG   3          1HD       ARG   3   6.165  -6.693  -3.109
   26    HE   ARG   3           HE       ARG   3   6.513  -6.975  -5.336
   27   1HH1  ARG   3          1HH1      ARG   3   4.450  -4.192  -4.917
   28   2HH1  ARG   3          2HH1      ARG   3   4.392  -3.823  -6.608
   29   1HH2  ARG   3          1HH2      ARG   3   6.438  -6.492  -7.561
   30   2HH2  ARG   3          2HH2      ARG   3   5.521  -5.129  -8.109
   31    H    ALA   4           H        ALA   4   1.076  -5.246  -0.201
   32    HA   ALA   4           HA       ALA   4  -0.149  -7.757  -1.071
   33   1HB   ALA   4          1HB       ALA   4  -0.346  -6.866   1.748
   34   2HB   ALA   4          2HB       ALA   4   1.245  -7.328   1.144
   35   3HB   ALA   4          3HB       ALA   4  -0.090  -8.479   1.083
   36    H    CYS   5           H        CYS   5  -0.992  -4.595  -1.016
   37    HA   CYS   5           HA       CYS   5  -3.614  -4.760   0.112
   38   1HB   CYS   5          2HB       CYS   5  -2.228  -2.645  -0.139
   39   2HB   CYS   5          1HB       CYS   5  -2.658  -2.676  -1.843
   40    H    SER   6           H        SER   6  -5.595  -4.378  -1.141
   41    HA   SER   6           HA       SER   6  -5.465  -5.592  -3.821
   42   1HB   SER   6          2HB       SER   6  -7.836  -6.403  -3.292
   43   2HB   SER   6          1HB       SER   6  -6.516  -7.217  -2.451
   44    HG   SER   6           HG       SER   6  -8.527  -5.617  -1.459
   45    H    LEU   7           H        LEU   7  -5.507  -2.726  -2.796
   46    HA   LEU   7           HA       LEU   7  -8.005  -1.829  -4.057
   47   1HB   LEU   7          2HB       LEU   7  -6.073  -0.353  -2.271
   48   2HB   LEU   7          1HB       LEU   7  -7.496   0.361  -3.003
   49    HG   LEU   7           HG       LEU   7  -7.986  -2.068  -1.400
   50   1HD1  LEU   7          1HD1      LEU   7  -6.940  -1.416   0.443
   51   2HD1  LEU   7          2HD1      LEU   7  -7.982   0.006   0.484
   52   3HD1  LEU   7          3HD1      LEU   7  -6.417   0.083  -0.325
   53   1HD2  LEU   7          1HD2      LEU   7  -9.306   0.640  -1.387
   54   2HD2  LEU   7          2HD2      LEU   7  -9.955  -0.875  -0.760
   55   3HD2  LEU   7          3HD2      LEU   7  -9.734  -0.662  -2.497
   56    HA   PRO   8           HA       PRO   8  -5.619  -0.701  -7.664
   57   1HB   PRO   8          2HB       PRO   8  -7.906   1.077  -8.251
   58   2HB   PRO   8          1HB       PRO   8  -7.227  -0.236  -9.216
   59   1HG   PRO   8          2HG       PRO   8  -9.580  -0.498  -7.969
   60   2HG   PRO   8          1HG       PRO   8  -8.450  -1.858  -8.114
   61   1HD   PRO   8          2HD       PRO   8  -9.002  -0.091  -5.761
   62   2HD   PRO   8          1HD       PRO   8  -8.722  -1.844  -5.816
   63    H    HIS   9           H        HIS   9  -6.812   1.455  -5.254
   64    HA   HIS   9           HA       HIS   9  -5.724   3.871  -6.328
   65   1HB   HIS   9          2HB       HIS   9  -7.597   3.677  -4.602
   66   2HB   HIS   9          1HB       HIS   9  -6.335   3.329  -3.421
   67    HD1  HIS   9           1HD      HIS   9  -8.109   6.086  -4.976
   68    HD2  HIS   9           2HD      HIS   9  -4.405   5.524  -3.177
   69    HE1  HIS   9           1HE      HIS   9  -7.279   8.392  -4.413
   70    HE2  HIS   9           2HE      HIS   9  -4.998   8.033  -3.404
   71    H    CYS  10           H        CYS  10  -4.797   1.819  -3.590
   72    HA   CYS  10           HA       CYS  10  -2.361   3.089  -3.045
   73   1HB   CYS  10          2HB       CYS  10  -2.835   0.161  -2.546
   74   2HB   CYS  10          1HB       CYS  10  -1.908   1.302  -1.579
   75    H    ARG  11           H        ARG  11  -3.257   0.759  -5.449
   76    HA   ARG  11           HA       ARG  11  -0.570  -0.088  -6.028
   77   1HB   ARG  11          2HB       ARG  11  -2.829  -1.324  -6.478
   78   2HB   ARG  11          1HB       ARG  11  -2.851  -0.369  -7.954
   79   1HG   ARG  11          2HG       ARG  11  -0.322  -1.758  -7.419
   80   2HG   ARG  11          1HG       ARG  11  -1.709  -2.808  -7.717
   81   1HD   ARG  11          2HD       ARG  11  -2.011  -0.951  -9.678
   82   2HD   ARG  11          1HD       ARG  11  -0.255  -1.025  -9.543
   83    HE   ARG  11           HE       ARG  11  -1.514  -3.605  -9.698
   84   1HH1  ARG  11          1HH1      ARG  11  -0.228  -0.933 -11.539
   85   2HH1  ARG  11          2HH1      ARG  11   0.079  -1.890 -12.949
   86   1HH2  ARG  11          1HH2      ARG  11  -1.111  -4.865 -11.552
   87   2HH2  ARG  11          2HH2      ARG  11  -0.423  -4.122 -12.957
   88    H    THR  12           H        THR  12   0.499   1.916  -6.337
   89    HA   THR  12           HA       THR  12   0.028   3.066  -9.000
   90    HB   THR  12           HB       THR  12   0.594   4.615  -6.465
   91    HG1  THR  12           1HG      THR  12  -1.656   4.579  -8.190
   92   1HG2  THR  12          1HG2      THR  12  -0.176   6.233  -8.700
   93   2HG2  THR  12          2HG2      THR  12   1.294   5.332  -9.071
   94   3HG2  THR  12          3HG2      THR  12   1.231   6.370  -7.646
   95    H    MET  13           H        MET  13   2.362   3.965  -6.488
   96    HA   MET  13           HA       MET  13   4.514   3.109  -8.306
   97   1HB   MET  13          2HB       MET  13   4.326   5.440  -6.411
   98   2HB   MET  13          1HB       MET  13   5.876   4.854  -6.999
   99   1HG   MET  13          2HG       MET  13   3.762   5.446  -8.994
  100   2HG   MET  13          1HG       MET  13   4.563   6.801  -8.201
  101   1HE   MET  13          1HE       MET  13   5.415   4.640 -11.694
  102   2HE   MET  13          2HE       MET  13   5.567   6.394 -11.799
  103   3HE   MET  13          3HE       MET  13   4.149   5.676 -11.034
  104    H    LYS  14           H        LYS  14   2.987   2.044  -5.696
  105    HA   LYS  14           HA       LYS  14   3.520   0.396  -4.219
  106   1HB   LYS  14          2HB       LYS  14   5.393  -0.829  -4.513
  107   2HB   LYS  14          1HB       LYS  14   5.586   0.162  -5.949
  108   1HG   LYS  14          2HG       LYS  14   6.898   1.727  -4.280
  109   2HG   LYS  14          1HG       LYS  14   7.076   0.221  -3.381
  110   1HD   LYS  14          2HD       LYS  14   7.775  -0.715  -5.742
  111   2HD   LYS  14          1HD       LYS  14   8.151   0.981  -6.054
  112   1HE   LYS  14          2HE       LYS  14   9.832   1.037  -4.488
  113   2HE   LYS  14          1HE       LYS  14   9.134  -0.273  -3.536
  114   1HZ   LYS  14          1HZ       LYS  14  10.862  -0.402  -5.891
  115   2HZ   LYS  14          2HZ       LYS  14   9.701  -1.618  -5.707
  116   3HZ   LYS  14          3HZ       LYS  14  10.858  -1.365  -4.499
  117    H    ASN  15           H        ASN  15   3.578   3.378  -3.776
  118    HA   ASN  15           HA       ASN  15   5.433   3.960  -1.735
  119   1HB   ASN  15          2HB       ASN  15   3.767   5.814  -1.207
  120   2HB   ASN  15          1HB       ASN  15   4.440   5.807  -2.829
  121   1HD2  ASN  15          1HD2      ASN  15   3.050   6.040  -4.417
  122   2HD2  ASN  15          2HD2      ASN  15   1.358   5.697  -4.350
  123    H    VAL  16           H        VAL  16   5.211   1.936  -0.524
  124    HA   VAL  16           HA       VAL  16   3.007   0.984   0.788
  125    HB   VAL  16           HB       VAL  16   5.739   1.136   2.044
  126   1HG1  VAL  16          1HG1      VAL  16   3.249  -0.283   2.654
  127   2HG1  VAL  16          2HG1      VAL  16   4.610   0.124   3.699
  128   3HG1  VAL  16          3HG1      VAL  16   4.692  -1.297   2.658
  129   1HG2  VAL  16          1HG2      VAL  16   6.368   0.141   0.107
  130   2HG2  VAL  16          2HG2      VAL  16   4.735  -0.412  -0.265
  131   3HG2  VAL  16          3HG2      VAL  16   5.717  -1.288   0.910
  132    H    LEU  17           H        LEU  17   5.081   3.674   1.781
  133    HA   LEU  17           HA       LEU  17   4.010   4.074   4.330
  134   1HB   LEU  17          2HB       LEU  17   5.375   5.874   2.366
  135   2HB   LEU  17          1HB       LEU  17   4.732   6.527   3.861
  136    HG   LEU  17           HG       LEU  17   6.590   4.183   3.956
  137   1HD1  LEU  17          1HD1      LEU  17   8.422   5.932   4.265
  138   2HD1  LEU  17          2HD1      LEU  17   7.324   7.048   3.454
  139   3HD1  LEU  17          3HD1      LEU  17   7.885   5.600   2.618
  140   1HD2  LEU  17          1HD2      LEU  17   7.231   5.411   6.085
  141   2HD2  LEU  17          2HD2      LEU  17   5.617   4.701   6.035
  142   3HD2  LEU  17          3HD2      LEU  17   5.826   6.436   5.792
  143    H    ASN  18           H        ASN  18   2.921   5.111   1.190
  144    HA   ASN  18           HA       ASN  18   0.885   6.866   2.176
  145   1HB   ASN  18          2HB       ASN  18   2.038   6.263  -0.346
  146   2HB   ASN  18          1HB       ASN  18   0.308   5.974  -0.483
  147   1HD2  ASN  18          1HD2      ASN  18   2.103   8.081  -1.577
  148   2HD2  ASN  18          2HD2      ASN  18   1.368   9.574  -1.115
  149    H    HIS  19           H        HIS  19   1.104   3.492   1.373
  150    HA   HIS  19           HA       HIS  19  -1.729   3.064   1.282
  151   1HB   HIS  19          2HB       HIS  19  -0.676   1.473   0.003
  152   2HB   HIS  19          1HB       HIS  19   0.705   1.362   1.085
  153    HD2  HIS  19           2HD      HIS  19   0.661  -0.708   2.825
  154    HE1  HIS  19           1HE      HIS  19  -3.304  -1.938   2.033
  155    HE2  HIS  19           2HE      HIS  19  -1.204  -2.420   3.368
  156    H    MET  20           H        MET  20   0.807   2.025   3.580
  157    HA   MET  20           HA       MET  20  -0.910   0.972   5.500
  158   1HB   MET  20          2HB       MET  20   1.650   0.830   5.355
  159   2HB   MET  20          1HB       MET  20   1.660   2.371   6.202
  160   1HG   MET  20          2HG       MET  20   0.154   1.156   7.920
  161   2HG   MET  20          1HG       MET  20   0.779  -0.312   7.171
  162   1HE   MET  20          1HE       MET  20   1.241   2.402   9.697
  163   2HE   MET  20          2HE       MET  20   2.198   3.220   8.462
  164   3HE   MET  20          3HE       MET  20   2.981   2.595   9.913
  165    H    THR  21           H        THR  21  -0.288   4.254   4.695
  166    HA   THR  21           HA       THR  21  -0.893   5.488   7.143
  167    HB   THR  21           HB       THR  21   0.056   6.434   4.885
  168    HG1  THR  21           1HG      THR  21   0.116   7.997   6.267
  169   1HG2  THR  21          1HG2      THR  21  -2.621   7.639   4.557
  170   2HG2  THR  21          2HG2      THR  21  -2.355   6.039   3.867
  171   3HG2  THR  21          3HG2      THR  21  -1.331   7.390   3.381
  172    H    HIS  22           H        HIS  22  -2.895   4.043   4.724
  173    HA   HIS  22           HA       HIS  22  -5.278   4.860   6.260
  174   1HB   HIS  22          2HB       HIS  22  -6.554   4.781   4.112
  175   2HB   HIS  22          1HB       HIS  22  -5.357   6.067   4.192
  176    HD1  HIS  22           1HD      HIS  22  -4.851   6.322   1.759
  177    HD2  HIS  22           2HD      HIS  22  -4.534   2.362   3.010
  178    HE1  HIS  22           1HE      HIS  22  -3.856   5.070  -0.181
  179    HE2  HIS  22           2HE      HIS  22  -3.439   2.762   0.719
  180    H    CYS  23           H        CYS  23  -3.502   2.296   4.828
  181    HA   CYS  23           HA       CYS  23  -5.747   0.455   5.116
  182   1HB   CYS  23          2HB       CYS  23  -3.328   0.635   3.443
  183   2HB   CYS  23          1HB       CYS  23  -3.758  -0.976   3.976
  184    H    GLN  24           H        GLN  24  -4.572  -1.904   5.547
  185    HA   GLN  24           HA       GLN  24  -2.542  -1.945   7.514
  186   1HB   GLN  24          2HB       GLN  24  -3.959  -2.639   9.446
  187   2HB   GLN  24          1HB       GLN  24  -4.170  -0.956   8.980
  188   1HG   GLN  24          2HG       GLN  24  -6.146  -1.932   7.557
  189   2HG   GLN  24          1HG       GLN  24  -6.048  -3.246   8.727
  190   1HE2  GLN  24          1HE2      GLN  24  -7.981  -0.952   8.151
  191   2HE2  GLN  24          2HE2      GLN  24  -8.274  -0.268   9.710
  192    H    ALA  25           H        ALA  25  -1.729  -3.956   7.676
  193    HA   ALA  25           HA       ALA  25  -3.295  -6.322   7.430
  194   1HB   ALA  25          1HB       ALA  25  -3.210  -5.557   5.057
  195   2HB   ALA  25          2HB       ALA  25  -2.510  -7.153   5.328
  196   3HB   ALA  25          3HB       ALA  25  -1.458  -5.754   5.110
  197    H    GLY  26           H        GLY  26  -1.407  -5.281   9.278
  198   1HA   GLY  26          2HA       GLY  26  -0.024  -7.231  10.299
  199   2HA   GLY  26          1HA       GLY  26   0.969  -6.960   8.875
  200    H    LYS  27           H        LYS  27   0.841  -6.370  12.053
  201    HA   LYS  27           HA       LYS  27   1.906  -4.941  13.467
  202   1HB   LYS  27          2HB       LYS  27   3.414  -4.624  10.917
  203   2HB   LYS  27          1HB       LYS  27   3.721  -3.465  12.202
  204   1HG   LYS  27          2HG       LYS  27   5.290  -5.003  12.740
  205   2HG   LYS  27          1HG       LYS  27   3.932  -5.689  13.635
  206   1HD   LYS  27          2HD       LYS  27   4.150  -6.537  10.824
  207   2HD   LYS  27          1HD       LYS  27   5.458  -7.076  11.880
  208   1HE   LYS  27          2HE       LYS  27   3.313  -7.606  13.435
  209   2HE   LYS  27          1HE       LYS  27   2.613  -7.842  11.834
  210   1HZ   LYS  27          1HZ       LYS  27   3.483  -9.910  12.566
  211   2HZ   LYS  27          2HZ       LYS  27   4.973  -9.226  12.982
  212   3HZ   LYS  27          3HZ       LYS  27   4.522  -9.343  11.357
  Start of MODEL    4
    1   1H    GLU   1          1HT       GLU   1   0.911  -4.294   3.083
    2   2H    GLU   1          2HT       GLU   1   1.072  -2.695   3.686
    3   3H    GLU   1          3HT       GLU   1   2.226  -3.894   4.107
    4    HA   GLU   1           HA       GLU   1   2.887  -2.245   2.381
    5   1HB   GLU   1          2HB       GLU   1   2.954  -5.236   1.983
    6   2HB   GLU   1          1HB       GLU   1   3.881  -4.131   0.978
    7   1HG   GLU   1          2HG       GLU   1   5.411  -3.760   2.572
    8   2HG   GLU   1          1HG       GLU   1   4.213  -3.741   3.865
    9    H    VAL   2           H        VAL   2   2.453  -1.319   0.493
   10    HA   VAL   2           HA       VAL   2  -0.040  -1.510  -0.715
   11    HB   VAL   2           HB       VAL   2   1.575   0.401  -0.904
   12   1HG1  VAL   2          1HG1      VAL   2   3.386  -1.362  -1.753
   13   2HG1  VAL   2          2HG1      VAL   2   3.450   0.348  -2.176
   14   3HG1  VAL   2          3HG1      VAL   2   2.780  -0.817  -3.317
   15   1HG2  VAL   2          1HG2      VAL   2   0.859  -0.168  -3.699
   16   2HG2  VAL   2          2HG2      VAL   2   0.419   1.193  -2.666
   17   3HG2  VAL   2          3HG2      VAL   2  -0.457  -0.332  -2.537
   18    H    ARG   3           H        ARG   3   2.921  -3.255  -1.364
   19    HA   ARG   3           HA       ARG   3   2.189  -4.303  -3.890
   20   1HB   ARG   3          2HB       ARG   3   4.515  -4.244  -2.997
   21   2HB   ARG   3          1HB       ARG   3   4.072  -5.501  -1.851
   22   1HG   ARG   3          2HG       ARG   3   4.710  -6.981  -3.369
   23   2HG   ARG   3          1HG       ARG   3   3.296  -6.514  -4.316
   24   1HD   ARG   3          2HD       ARG   3   5.511  -4.661  -4.642
   25   2HD   ARG   3          1HD       ARG   3   5.942  -6.309  -5.097
   26    HE   ARG   3           HE       ARG   3   4.523  -6.161  -6.895
   27   1HH1  ARG   3          1HH1      ARG   3   3.938  -3.473  -4.745
   28   2HH1  ARG   3          2HH1      ARG   3   2.910  -2.642  -5.863
   29   1HH2  ARG   3          1HH2      ARG   3   3.171  -5.068  -8.365
   30   2HH2  ARG   3          2HH2      ARG   3   2.474  -3.547  -7.917
   31    H    ALA   4           H        ALA   4   1.427  -5.199  -0.620
   32    HA   ALA   4           HA       ALA   4   0.277  -7.739  -1.504
   33   1HB   ALA   4          1HB       ALA   4  -0.159  -7.802   1.123
   34   2HB   ALA   4          2HB       ALA   4   1.185  -6.660   1.097
   35   3HB   ALA   4          3HB       ALA   4   1.382  -8.270   0.404
   36    H    CYS   5           H        CYS   5  -0.723  -4.631  -1.337
   37    HA   CYS   5           HA       CYS   5  -3.273  -4.952  -0.081
   38   1HB   CYS   5          2HB       CYS   5  -2.001  -2.765  -0.367
   39   2HB   CYS   5          1HB       CYS   5  -2.534  -2.787  -2.042
   40    H    SER   6           H        SER   6  -5.332  -4.655  -1.224
   41    HA   SER   6           HA       SER   6  -5.277  -5.851  -3.916
   42   1HB   SER   6          2HB       SER   6  -7.462  -6.880  -3.379
   43   2HB   SER   6          1HB       SER   6  -6.194  -7.424  -2.281
   44    HG   SER   6           HG       SER   6  -8.041  -5.341  -1.725
   45    H    LEU   7           H        LEU   7  -5.381  -2.980  -2.860
   46    HA   LEU   7           HA       LEU   7  -7.935  -2.164  -4.062
   47   1HB   LEU   7          2HB       LEU   7  -6.018  -0.608  -2.329
   48   2HB   LEU   7          1HB       LEU   7  -7.514   0.021  -2.990
   49    HG   LEU   7           HG       LEU   7  -7.759  -2.443  -1.374
   50   1HD1  LEU   7          1HD1      LEU   7  -7.844  -0.324   0.479
   51   2HD1  LEU   7          2HD1      LEU   7  -6.304  -0.198  -0.370
   52   3HD1  LEU   7          3HD1      LEU   7  -6.740  -1.698   0.447
   53   1HD2  LEU   7          1HD2      LEU   7  -9.295   0.147  -1.311
   54   2HD2  LEU   7          2HD2      LEU   7  -9.796  -1.420  -0.674
   55   3HD2  LEU   7          3HD2      LEU   7  -9.651  -1.181  -2.416
   56    HA   PRO   8           HA       PRO   8  -5.649  -0.947  -7.709
   57   1HB   PRO   8          2HB       PRO   8  -8.030   0.712  -8.268
   58   2HB   PRO   8          1HB       PRO   8  -7.297  -0.567  -9.240
   59   1HG   PRO   8          2HG       PRO   8  -9.617  -0.948  -7.964
   60   2HG   PRO   8          1HG       PRO   8  -8.420  -2.248  -8.120
   61   1HD   PRO   8          2HD       PRO   8  -9.033  -0.506  -5.764
   62   2HD   PRO   8          1HD       PRO   8  -8.663  -2.242  -5.819
   63    H    HIS   9           H        HIS   9  -6.897   1.150  -5.280
   64    HA   HIS   9           HA       HIS   9  -5.959   3.616  -6.381
   65   1HB   HIS   9          2HB       HIS   9  -7.780   3.342  -4.617
   66   2HB   HIS   9          1HB       HIS   9  -6.484   3.041  -3.462
   67    HD1  HIS   9           1HD      HIS   9  -8.388   5.731  -4.993
   68    HD2  HIS   9           2HD      HIS   9  -4.656   5.313  -3.214
   69    HE1  HIS   9           1HE      HIS   9  -7.649   8.067  -4.425
   70    HE2  HIS   9           2HE      HIS   9  -5.429   7.782  -3.269
   71    H    CYS  10           H        CYS  10  -4.856   1.593  -3.685
   72    HA   CYS  10           HA       CYS  10  -2.477   2.989  -3.187
   73   1HB   CYS  10          2HB       CYS  10  -2.792   0.034  -2.713
   74   2HB   CYS  10          1HB       CYS  10  -1.882   1.203  -1.764
   75    H    ARG  11           H        ARG  11  -3.314   0.617  -5.578
   76    HA   ARG  11           HA       ARG  11  -0.606  -0.073  -6.249
   77   1HB   ARG  11          2HB       ARG  11  -2.901  -1.348  -6.677
   78   2HB   ARG  11          1HB       ARG  11  -2.835  -0.457  -8.191
   79   1HG   ARG  11          2HG       ARG  11  -0.485  -2.056  -7.261
   80   2HG   ARG  11          1HG       ARG  11  -1.838  -2.828  -8.090
   81   1HD   ARG  11          2HD       ARG  11  -0.829  -0.391  -9.379
   82   2HD   ARG  11          1HD       ARG  11   0.319  -1.728  -9.328
   83    HE   ARG  11           HE       ARG  11  -2.298  -2.483 -10.245
   84   1HH1  ARG  11          1HH1      ARG  11   0.808  -1.207 -11.193
   85   2HH1  ARG  11          2HH1      ARG  11   0.654  -1.715 -12.841
   86   1HH2  ARG  11          1HH2      ARG  11  -2.503  -3.152 -12.412
   87   2HH2  ARG  11          2HH2      ARG  11  -1.226  -2.819 -13.534
   88    H    THR  12           H        THR  12   0.350   1.985  -6.562
   89    HA   THR  12           HA       THR  12  -0.250   3.138  -9.197
   90    HB   THR  12           HB       THR  12   0.298   4.691  -6.660
   91    HG1  THR  12           1HG      THR  12  -1.996   4.355  -8.274
   92   1HG2  THR  12          1HG2      THR  12  -0.615   6.377  -8.720
   93   2HG2  THR  12          2HG2      THR  12   0.746   5.458  -9.363
   94   3HG2  THR  12          3HG2      THR  12   0.940   6.407  -7.889
   95    H    MET  13           H        MET  13   2.093   4.111  -6.720
   96    HA   MET  13           HA       MET  13   4.244   3.389  -8.597
   97   1HB   MET  13          2HB       MET  13   3.861   5.756  -6.815
   98   2HB   MET  13          1HB       MET  13   5.496   5.209  -7.159
   99   1HG   MET  13          2HG       MET  13   3.718   5.519  -9.487
  100   2HG   MET  13          1HG       MET  13   4.173   7.002  -8.649
  101   1HE   MET  13          1HE       MET  13   6.836   8.009  -8.761
  102   2HE   MET  13          2HE       MET  13   8.076   6.756  -8.722
  103   3HE   MET  13          3HE       MET  13   6.762   6.733  -7.546
  104    H    LYS  14           H        LYS  14   2.840   2.252  -5.944
  105    HA   LYS  14           HA       LYS  14   3.495   0.640  -4.477
  106   1HB   LYS  14          2HB       LYS  14   5.417  -0.493  -4.821
  107   2HB   LYS  14          1HB       LYS  14   5.516   0.496  -6.267
  108   1HG   LYS  14          2HG       LYS  14   6.797   2.135  -4.641
  109   2HG   LYS  14          1HG       LYS  14   7.086   0.639  -3.754
  110   1HD   LYS  14          2HD       LYS  14   7.902  -0.349  -5.932
  111   2HD   LYS  14          1HD       LYS  14   7.854   1.287  -6.592
  112   1HE   LYS  14          2HE       LYS  14  10.050   1.112  -5.901
  113   2HE   LYS  14          1HE       LYS  14   9.288   1.887  -4.512
  114   1HZ   LYS  14          1HZ       LYS  14  10.395   0.240  -3.451
  115   2HZ   LYS  14          2HZ       LYS  14  10.366  -0.812  -4.775
  116   3HZ   LYS  14          3HZ       LYS  14   8.988  -0.628  -3.812
  117    H    ASN  15           H        ASN  15   3.397   3.609  -4.035
  118    HA   ASN  15           HA       ASN  15   5.292   4.297  -2.051
  119   1HB   ASN  15          2HB       ASN  15   2.796   5.441  -3.132
  120   2HB   ASN  15          1HB       ASN  15   3.152   5.879  -1.464
  121   1HD2  ASN  15          1HD2      ASN  15   4.821   7.239  -1.022
  122   2HD2  ASN  15          2HD2      ASN  15   5.743   8.047  -2.239
  123    H    VAL  16           H        VAL  16   5.219   2.269  -0.838
  124    HA   VAL  16           HA       VAL  16   3.111   1.200   0.542
  125    HB   VAL  16           HB       VAL  16   5.866   1.491   1.719
  126   1HG1  VAL  16          1HG1      VAL  16   3.612   0.374   2.797
  127   2HG1  VAL  16          2HG1      VAL  16   5.269  -0.031   3.245
  128   3HG1  VAL  16          3HG1      VAL  16   4.410  -1.015   2.060
  129   1HG2  VAL  16          1HG2      VAL  16   6.378   0.625  -0.359
  130   2HG2  VAL  16          2HG2      VAL  16   4.849  -0.245  -0.488
  131   3HG2  VAL  16          3HG2      VAL  16   6.115  -0.841   0.585
  132    H    LEU  17           H        LEU  17   5.013   4.042   1.409
  133    HA   LEU  17           HA       LEU  17   4.063   4.377   4.019
  134   1HB   LEU  17          2HB       LEU  17   5.208   6.227   1.971
  135   2HB   LEU  17          1HB       LEU  17   4.543   6.888   3.453
  136    HG   LEU  17           HG       LEU  17   6.567   4.698   3.632
  137   1HD1  LEU  17          1HD1      LEU  17   7.599   7.459   3.653
  138   2HD1  LEU  17          2HD1      LEU  17   7.177   6.799   2.073
  139   3HD1  LEU  17          3HD1      LEU  17   8.351   5.966   3.092
  140   1HD2  LEU  17          1HD2      LEU  17   7.184   6.233   5.621
  141   2HD2  LEU  17          2HD2      LEU  17   5.723   5.249   5.719
  142   3HD2  LEU  17          3HD2      LEU  17   5.606   6.966   5.331
  143    H    ASN  18           H        ASN  18   2.731   5.296   0.937
  144    HA   ASN  18           HA       ASN  18   0.610   6.886   2.026
  145   1HB   ASN  18          2HB       ASN  18   1.703   6.755  -0.432
  146   2HB   ASN  18          1HB       ASN  18   0.304   5.717  -0.681
  147   1HD2  ASN  18          1HD2      ASN  18  -1.721   6.591  -0.706
  148   2HD2  ASN  18          2HD2      ASN  18  -2.021   8.293  -0.693
  149    H    HIS  19           H        HIS  19   1.053   3.548   1.140
  150    HA   HIS  19           HA       HIS  19  -1.731   2.887   1.253
  151   1HB   HIS  19          2HB       HIS  19  -0.604   1.440  -0.153
  152   2HB   HIS  19          1HB       HIS  19   0.809   1.360   0.890
  153    HD2  HIS  19           2HD      HIS  19   0.914  -0.771   2.548
  154    HE1  HIS  19           1HE      HIS  19  -3.022  -2.142   1.852
  155    HE2  HIS  19           2HE      HIS  19  -0.859  -2.576   3.100
  156    H    MET  20           H        MET  20   1.033   1.928   3.303
  157    HA   MET  20           HA       MET  20  -0.437   0.731   5.327
  158   1HB   MET  20          2HB       MET  20   2.267   1.957   5.152
  159   2HB   MET  20          1HB       MET  20   1.630   1.624   6.756
  160   1HG   MET  20          2HG       MET  20   1.390  -0.572   4.816
  161   2HG   MET  20          1HG       MET  20   3.034  -0.138   5.283
  162   1HE   MET  20          1HE       MET  20   0.537  -2.595   5.846
  163   2HE   MET  20          2HE       MET  20   1.202  -3.324   7.308
  164   3HE   MET  20          3HE       MET  20   2.244  -3.035   5.914
  165    H    THR  21           H        THR  21  -0.079   4.080   4.596
  166    HA   THR  21           HA       THR  21  -0.651   5.117   7.167
  167    HB   THR  21           HB       THR  21  -0.226   6.148   4.485
  168    HG1  THR  21           1HG      THR  21   0.016   7.328   7.050
  169   1HG2  THR  21          1HG2      THR  21  -2.270   7.575   6.169
  170   2HG2  THR  21          2HG2      THR  21  -2.474   6.970   4.525
  171   3HG2  THR  21          3HG2      THR  21  -1.373   8.311   4.841
  172    H    HIS  22           H        HIS  22  -2.625   3.666   4.760
  173    HA   HIS  22           HA       HIS  22  -5.008   4.437   6.304
  174   1HB   HIS  22          2HB       HIS  22  -6.310   4.586   4.220
  175   2HB   HIS  22          1HB       HIS  22  -5.018   5.778   4.280
  176    HD1  HIS  22           1HD      HIS  22  -4.861   6.034   1.758
  177    HD2  HIS  22           2HD      HIS  22  -4.273   2.110   3.022
  178    HE1  HIS  22           1HE      HIS  22  -3.990   4.795  -0.248
  179    HE2  HIS  22           2HE      HIS  22  -3.411   2.515   0.635
  180    H    CYS  23           H        CYS  23  -3.160   1.939   4.990
  181    HA   CYS  23           HA       CYS  23  -5.432   0.095   5.084
  182   1HB   CYS  23          2HB       CYS  23  -3.072   0.392   3.353
  183   2HB   CYS  23          1HB       CYS  23  -3.459  -1.251   3.812
  184    H    GLN  24           H        GLN  24  -4.918   0.325   7.506
  185    HA   GLN  24           HA       GLN  24  -2.568  -0.869   8.550
  186   1HB   GLN  24          2HB       GLN  24  -3.948  -0.995  10.682
  187   2HB   GLN  24          1HB       GLN  24  -3.721   0.605   9.990
  188   1HG   GLN  24          2HG       GLN  24  -5.910   0.828   9.424
  189   2HG   GLN  24          1HG       GLN  24  -6.141  -0.904   9.188
  190   1HE2  GLN  24          1HE2      GLN  24  -7.751  -1.440  10.497
  191   2HE2  GLN  24          2HE2      GLN  24  -7.835  -1.087  12.186
  192    H    ALA  25           H        ALA  25  -2.048  -2.938   8.838
  193    HA   ALA  25           HA       ALA  25  -3.850  -5.003   9.463
  194   1HB   ALA  25          1HB       ALA  25  -4.214  -4.398   6.893
  195   2HB   ALA  25          2HB       ALA  25  -4.348  -6.045   7.509
  196   3HB   ALA  25          3HB       ALA  25  -2.862  -5.517   6.719
  197    H    GLY  26           H        GLY  26  -2.797  -6.899  10.012
  198   1HA   GLY  26          2HA       GLY  26  -1.033  -8.256  10.576
  199   2HA   GLY  26          1HA       GLY  26  -0.205  -7.616   9.164
  200    H    LYS  27           H        LYS  27   0.195  -8.059  12.317
  201    HA   LYS  27           HA       LYS  27   1.575  -7.198  13.906
  202   1HB   LYS  27          2HB       LYS  27   2.948  -6.975  11.600
  203   2HB   LYS  27          1HB       LYS  27   2.854  -5.277  12.046
  204   1HG   LYS  27          2HG       LYS  27   4.225  -5.525  13.835
  205   2HG   LYS  27          1HG       LYS  27   3.697  -7.179  14.150
  206   1HD   LYS  27          2HD       LYS  27   5.397  -6.402  11.788
  207   2HD   LYS  27          1HD       LYS  27   6.066  -6.935  13.332
  208   1HE   LYS  27          2HE       LYS  27   3.982  -8.668  12.182
  209   2HE   LYS  27          1HE       LYS  27   5.488  -8.588  11.270
  210   1HZ   LYS  27          1HZ       LYS  27   5.100  -9.457  14.073
  211   2HZ   LYS  27          2HZ       LYS  27   6.625  -9.067  13.454
  212   3HZ   LYS  27          3HZ       LYS  27   5.743 -10.343  12.782
  Start of MODEL    5
    1   1H    GLU   1          1HT       GLU   1   0.669  -2.453   3.849
    2   2H    GLU   1          2HT       GLU   1   2.120  -2.917   4.639
    3   3H    GLU   1          3HT       GLU   1   1.133  -4.102   3.887
    4    HA   GLU   1           HA       GLU   1   2.826  -2.049   2.667
    5   1HB   GLU   1          2HB       GLU   1   2.518  -5.047   2.405
    6   2HB   GLU   1          1HB       GLU   1   3.586  -4.076   1.400
    7   1HG   GLU   1          2HG       GLU   1   4.967  -3.523   3.229
    8   2HG   GLU   1          1HG       GLU   1   3.790  -4.127   4.394
    9    H    VAL   2           H        VAL   2   2.383  -1.271   0.702
   10    HA   VAL   2           HA       VAL   2  -0.247  -1.372  -0.300
   11    HB   VAL   2           HB       VAL   2   1.371   0.511  -0.620
   12   1HG1  VAL   2          1HG1      VAL   2   3.211   0.387  -1.919
   13   2HG1  VAL   2          2HG1      VAL   2   2.468  -0.738  -3.056
   14   3HG1  VAL   2          3HG1      VAL   2   3.108  -1.328  -1.522
   15   1HG2  VAL   2          1HG2      VAL   2   0.554  -0.096  -3.370
   16   2HG2  VAL   2          2HG2      VAL   2   0.127   1.264  -2.331
   17   3HG2  VAL   2          3HG2      VAL   2  -0.725  -0.271  -2.169
   18    H    ARG   3           H        ARG   3   2.639  -3.196  -1.038
   19    HA   ARG   3           HA       ARG   3   1.825  -4.269  -3.516
   20   1HB   ARG   3          2HB       ARG   3   3.853  -4.993  -1.451
   21   2HB   ARG   3          1HB       ARG   3   3.451  -6.191  -2.674
   22   1HG   ARG   3          2HG       ARG   3   4.117  -3.423  -3.542
   23   2HG   ARG   3          1HG       ARG   3   5.418  -4.501  -3.030
   24   1HD   ARG   3          2HD       ARG   3   3.455  -5.664  -4.894
   25   2HD   ARG   3          1HD       ARG   3   4.455  -4.370  -5.553
   26    HE   ARG   3           HE       ARG   3   6.008  -6.310  -4.155
   27   1HH1  ARG   3          1HH1      ARG   3   4.395  -5.673  -7.184
   28   2HH1  ARG   3          2HH1      ARG   3   5.427  -6.721  -8.097
   29   1HH2  ARG   3          1HH2      ARG   3   7.366  -7.689  -5.355
   30   2HH2  ARG   3          2HH2      ARG   3   7.114  -7.866  -7.060
   31    H    ALA   4           H        ALA   4   1.067  -5.098  -0.220
   32    HA   ALA   4           HA       ALA   4  -0.211  -7.591  -1.041
   33   1HB   ALA   4          1HB       ALA   4   1.256  -7.358   1.039
   34   2HB   ALA   4          2HB       ALA   4  -0.284  -8.199   1.215
   35   3HB   ALA   4          3HB       ALA   4  -0.123  -6.530   1.762
   36    H    CYS   5           H        CYS   5  -1.092  -4.462  -1.076
   37    HA   CYS   5           HA       CYS   5  -3.654  -4.586   0.188
   38   1HB   CYS   5          2HB       CYS   5  -2.285  -2.482  -0.255
   39   2HB   CYS   5          1HB       CYS   5  -2.827  -2.602  -1.924
   40    H    SER   6           H        SER   6  -5.698  -4.277  -0.988
   41    HA   SER   6           HA       SER   6  -5.694  -5.727  -3.551
   42   1HB   SER   6          2HB       SER   6  -8.139  -6.259  -2.840
   43   2HB   SER   6          1HB       SER   6  -6.823  -7.156  -2.083
   44    HG   SER   6           HG       SER   6  -8.600  -6.066  -0.746
   45    H    LEU   7           H        LEU   7  -5.643  -2.737  -2.748
   46    HA   LEU   7           HA       LEU   7  -8.074  -1.901  -4.173
   47   1HB   LEU   7          2HB       LEU   7  -6.167  -0.267  -2.497
   48   2HB   LEU   7          1HB       LEU   7  -7.616   0.339  -3.272
   49    HG   LEU   7           HG       LEU   7  -8.046  -1.948  -1.465
   50   1HD1  LEU   7          1HD1      LEU   7  -8.005   0.312   0.225
   51   2HD1  LEU   7          2HD1      LEU   7  -6.439   0.239  -0.583
   52   3HD1  LEU   7          3HD1      LEU   7  -7.025  -1.150   0.332
   53   1HD2  LEU   7          1HD2      LEU   7 -10.026  -0.769  -0.918
   54   2HD2  LEU   7          2HD2      LEU   7  -9.801  -0.587  -2.658
   55   3HD2  LEU   7          3HD2      LEU   7  -9.391   0.741  -1.573
   56    HA   PRO   8           HA       PRO   8  -5.554  -0.771  -7.645
   57   1HB   PRO   8          2HB       PRO   8  -7.324   0.674  -9.040
   58   2HB   PRO   8          1HB       PRO   8  -7.530  -1.067  -8.815
   59   1HG   PRO   8          2HG       PRO   8  -8.859   1.199  -7.383
   60   2HG   PRO   8          1HG       PRO   8  -9.561  -0.318  -7.973
   61   1HD   PRO   8          2HD       PRO   8  -8.819   0.133  -5.362
   62   2HD   PRO   8          1HD       PRO   8  -8.924  -1.474  -6.106
   63    H    HIS   9           H        HIS   9  -6.594   1.416  -5.291
   64    HA   HIS   9           HA       HIS   9  -5.610   3.814  -6.573
   65   1HB   HIS   9          2HB       HIS   9  -7.535   3.766  -4.927
   66   2HB   HIS   9          1HB       HIS   9  -6.348   3.439  -3.666
   67    HD1  HIS   9           1HD      HIS   9  -8.004   6.167  -5.355
   68    HD2  HIS   9           2HD      HIS   9  -4.338   5.600  -3.482
   69    HE1  HIS   9           1HE      HIS   9  -7.138   8.476  -4.862
   70    HE2  HIS   9           2HE      HIS   9  -4.959   8.107  -3.652
   71    H    CYS  10           H        CYS  10  -4.698   1.820  -3.792
   72    HA   CYS  10           HA       CYS  10  -2.327   3.204  -3.174
   73   1HB   CYS  10          2HB       CYS  10  -2.753   0.275  -2.628
   74   2HB   CYS  10          1HB       CYS  10  -1.860   1.448  -1.666
   75    H    ARG  11           H        ARG  11  -3.062   0.745  -5.520
   76    HA   ARG  11           HA       ARG  11  -0.348  -0.032  -6.001
   77   1HB   ARG  11          2HB       ARG  11  -2.725  -1.160  -6.605
   78   2HB   ARG  11          1HB       ARG  11  -2.358  -0.396  -8.145
   79   1HG   ARG  11          2HG       ARG  11  -0.393  -2.170  -6.733
   80   2HG   ARG  11          1HG       ARG  11  -1.614  -2.799  -7.841
   81   1HD   ARG  11          2HD       ARG  11  -0.085  -0.524  -8.881
   82   2HD   ARG  11          1HD       ARG  11   0.881  -1.964  -8.562
   83    HE   ARG  11           HE       ARG  11  -0.998  -1.595 -10.673
   84   1HH1  ARG  11          1HH1      ARG  11   0.376  -3.994  -8.543
   85   2HH1  ARG  11          2HH1      ARG  11   0.085  -5.309  -9.631
   86   1HH2  ARG  11          1HH2      ARG  11  -1.383  -3.324 -12.106
   87   2HH2  ARG  11          2HH2      ARG  11  -0.913  -4.929 -11.654
   88    H    THR  12           H        THR  12   0.707   1.983  -6.285
   89    HA   THR  12           HA       THR  12   0.336   3.100  -8.978
   90    HB   THR  12           HB       THR  12   0.763   4.679  -6.435
   91    HG1  THR  12           1HG      THR  12  -1.309   4.848  -6.477
   92   1HG2  THR  12          1HG2      THR  12   1.266   5.393  -9.204
   93   2HG2  THR  12          2HG2      THR  12   1.721   6.221  -7.715
   94   3HG2  THR  12          3HG2      THR  12   0.119   6.471  -8.409
   95    H    MET  13           H        MET  13   2.547   4.082  -6.391
   96    HA   MET  13           HA       MET  13   4.787   3.219  -8.095
   97   1HB   MET  13          2HB       MET  13   4.504   5.572  -6.236
   98   2HB   MET  13          1HB       MET  13   6.074   5.007  -6.793
   99   1HG   MET  13          2HG       MET  13   5.113   5.261  -9.152
  100   2HG   MET  13          1HG       MET  13   3.842   6.210  -8.383
  101   1HE   MET  13          1HE       MET  13   6.511   7.929 -10.559
  102   2HE   MET  13          2HE       MET  13   5.277   8.998  -9.894
  103   3HE   MET  13          3HE       MET  13   4.840   7.378 -10.437
  104    H    LYS  14           H        LYS  14   3.164   2.132  -5.580
  105    HA   LYS  14           HA       LYS  14   3.641   0.554  -4.020
  106   1HB   LYS  14          2HB       LYS  14   5.546  -0.671  -4.167
  107   2HB   LYS  14          1HB       LYS  14   5.706   0.200  -5.680
  108   1HG   LYS  14          2HG       LYS  14   7.749   0.723  -4.978
  109   2HG   LYS  14          1HG       LYS  14   6.964   1.869  -3.893
  110   1HD   LYS  14          2HD       LYS  14   7.560   0.694  -2.092
  111   2HD   LYS  14          1HD       LYS  14   6.959  -0.810  -2.792
  112   1HE   LYS  14          2HE       LYS  14   9.485   0.245  -3.905
  113   2HE   LYS  14          1HE       LYS  14   9.550  -0.358  -2.249
  114   1HZ   LYS  14          1HZ       LYS  14   9.872  -1.916  -4.355
  115   2HZ   LYS  14          2HZ       LYS  14   8.192  -2.040  -4.202
  116   3HZ   LYS  14          3HZ       LYS  14   9.192  -2.474  -2.909
  117    H    ASN  15           H        ASN  15   3.655   3.519  -3.617
  118    HA   ASN  15           HA       ASN  15   5.469   4.152  -1.547
  119   1HB   ASN  15          2HB       ASN  15   3.777   6.007  -1.094
  120   2HB   ASN  15          1HB       ASN  15   4.502   5.979  -2.694
  121   1HD2  ASN  15          1HD2      ASN  15   3.041   6.633  -4.091
  122   2HD2  ASN  15          2HD2      ASN  15   1.396   6.109  -4.165
  123    H    VAL  16           H        VAL  16   5.212   2.134  -0.316
  124    HA   VAL  16           HA       VAL  16   2.979   1.206   0.959
  125    HB   VAL  16           HB       VAL  16   5.674   1.391   2.288
  126   1HG1  VAL  16          1HG1      VAL  16   3.180  -0.085   2.813
  127   2HG1  VAL  16          2HG1      VAL  16   4.441   0.448   3.925
  128   3HG1  VAL  16          3HG1      VAL  16   4.672  -1.013   2.964
  129   1HG2  VAL  16          1HG2      VAL  16   5.690  -1.055   1.202
  130   2HG2  VAL  16          2HG2      VAL  16   6.361   0.360   0.391
  131   3HG2  VAL  16          3HG2      VAL  16   4.741  -0.205  -0.018
  132    H    LEU  17           H        LEU  17   5.013   3.927   1.945
  133    HA   LEU  17           HA       LEU  17   3.886   4.384   4.456
  134   1HB   LEU  17          2HB       LEU  17   4.928   6.486   2.567
  135   2HB   LEU  17          1HB       LEU  17   4.810   6.607   4.311
  136    HG   LEU  17           HG       LEU  17   6.480   4.410   3.212
  137   1HD1  LEU  17          1HD1      LEU  17   8.206   5.682   2.471
  138   2HD1  LEU  17          2HD1      LEU  17   7.799   7.044   3.515
  139   3HD1  LEU  17          3HD1      LEU  17   6.880   6.761   2.036
  140   1HD2  LEU  17          1HD2      LEU  17   7.281   6.259   5.395
  141   2HD2  LEU  17          2HD2      LEU  17   7.537   4.522   5.231
  142   3HD2  LEU  17          3HD2      LEU  17   5.952   5.140   5.696
  143    H    ASN  18           H        ASN  18   2.852   5.317   1.268
  144    HA   ASN  18           HA       ASN  18   0.771   7.072   2.158
  145   1HB   ASN  18          2HB       ASN  18   1.987   6.412  -0.321
  146   2HB   ASN  18          1HB       ASN  18   0.264   6.095  -0.486
  147   1HD2  ASN  18          1HD2      ASN  18   2.653   8.525   0.331
  148   2HD2  ASN  18          2HD2      ASN  18   1.656   9.893  -0.016
  149    H    HIS  19           H        HIS  19   1.049   3.685   1.402
  150    HA   HIS  19           HA       HIS  19  -1.781   3.221   1.323
  151   1HB   HIS  19          2HB       HIS  19  -0.688   1.652   0.032
  152   2HB   HIS  19          1HB       HIS  19   0.667   1.526   1.144
  153    HD2  HIS  19           2HD      HIS  19   0.555  -0.527   2.906
  154    HE1  HIS  19           1HE      HIS  19  -3.395  -1.730   2.015
  155    HE2  HIS  19           2HE      HIS  19  -1.218  -2.403   3.134
  156    H    MET  20           H        MET  20   0.773   2.137   3.575
  157    HA   MET  20           HA       MET  20  -0.900   1.088   5.521
  158   1HB   MET  20          2HB       MET  20   1.873   2.199   5.554
  159   2HB   MET  20          1HB       MET  20   1.094   1.822   7.085
  160   1HG   MET  20          2HG       MET  20   0.785  -0.476   6.398
  161   2HG   MET  20          1HG       MET  20   1.472  -0.117   4.815
  162   1HE   MET  20          1HE       MET  20   1.916  -2.175   7.089
  163   2HE   MET  20          2HE       MET  20   3.481  -2.121   7.901
  164   3HE   MET  20          3HE       MET  20   3.385  -2.575   6.199
  165    H    THR  21           H        THR  21  -0.283   4.389   4.743
  166    HA   THR  21           HA       THR  21  -0.961   5.526   7.245
  167    HB   THR  21           HB       THR  21  -0.293   6.458   4.576
  168    HG1  THR  21           1HG      THR  21  -0.147   7.671   7.133
  169   1HG2  THR  21          1HG2      THR  21  -2.257   8.154   6.102
  170   2HG2  THR  21          2HG2      THR  21  -2.561   7.370   4.552
  171   3HG2  THR  21          3HG2      THR  21  -1.341   8.638   4.675
  172    H    HIS  22           H        HIS  22  -2.855   4.135   4.740
  173    HA   HIS  22           HA       HIS  22  -5.285   5.094   6.096
  174   1HB   HIS  22          2HB       HIS  22  -6.432   5.270   3.931
  175   2HB   HIS  22          1HB       HIS  22  -5.059   6.365   4.031
  176    HD1  HIS  22           1HD      HIS  22  -4.795   6.502   1.497
  177    HD2  HIS  22           2HD      HIS  22  -4.461   2.618   2.963
  178    HE1  HIS  22           1HE      HIS  22  -3.889   5.130  -0.404
  179    HE2  HIS  22           2HE      HIS  22  -3.459   2.873   0.610
  180    H    CYS  23           H        CYS  23  -3.507   2.449   5.020
  181    HA   CYS  23           HA       CYS  23  -5.890   0.747   4.990
  182   1HB   CYS  23          2HB       CYS  23  -3.404   0.852   3.422
  183   2HB   CYS  23          1HB       CYS  23  -3.912  -0.751   3.902
  184    H    GLN  24           H        GLN  24  -5.807  -1.246   6.098
  185    HA   GLN  24           HA       GLN  24  -3.825  -1.306   8.270
  186   1HB   GLN  24          2HB       GLN  24  -5.448  -2.612   9.532
  187   2HB   GLN  24          1HB       GLN  24  -6.173  -1.108   8.978
  188   1HG   GLN  24          2HG       GLN  24  -6.889  -2.693   6.953
  189   2HG   GLN  24          1HG       GLN  24  -6.781  -3.900   8.234
  190   1HE2  GLN  24          1HE2      GLN  24  -8.771  -4.325   8.873
  191   2HE2  GLN  24          2HE2      GLN  24  -9.982  -3.157   9.266
  192    H    ALA  25           H        ALA  25  -3.445  -3.605   9.124
  193    HA   ALA  25           HA       ALA  25  -2.880  -5.814   8.824
  194   1HB   ALA  25          1HB       ALA  25  -4.739  -5.595   6.879
  195   2HB   ALA  25          2HB       ALA  25  -3.785  -7.049   7.172
  196   3HB   ALA  25          3HB       ALA  25  -3.299  -5.916   5.911
  197    H    GLY  26           H        GLY  26  -0.859  -6.589   8.609
  198   1HA   GLY  26          2HA       GLY  26   1.178  -6.906   7.384
  199   2HA   GLY  26          1HA       GLY  26   0.897  -5.363   6.591
  200    H    LYS  27           H        LYS  27   0.661  -6.023  10.050
  201    HA   LYS  27           HA       LYS  27   1.759  -5.159  11.844
  202   1HB   LYS  27          2HB       LYS  27   3.915  -5.445   9.806
  203   2HB   LYS  27          1HB       LYS  27   4.274  -4.528  11.262
  204   1HG   LYS  27          2HG       LYS  27   4.141  -6.360  12.619
  205   2HG   LYS  27          1HG       LYS  27   3.017  -7.205  11.554
  206   1HD   LYS  27          2HD       LYS  27   5.023  -7.270   9.908
  207   2HD   LYS  27          1HD       LYS  27   5.993  -6.948  11.347
  208   1HE   LYS  27          2HE       LYS  27   4.010  -9.206  11.157
  209   2HE   LYS  27          1HE       LYS  27   5.714  -9.377  10.738
  210   1HZ   LYS  27          1HZ       LYS  27   5.410 -10.085  12.977
  211   2HZ   LYS  27          2HZ       LYS  27   4.591  -8.665  13.391
  212   3HZ   LYS  27          3HZ       LYS  27   6.240  -8.612  13.021
  Start of MODEL    6
    1   1H    GLU   1          1HT       GLU   1   1.821  -3.372   4.702
    2   2H    GLU   1          2HT       GLU   1   0.430  -3.656   3.737
    3   3H    GLU   1          3HT       GLU   1   0.872  -2.052   4.159
    4    HA   GLU   1           HA       GLU   1   2.701  -2.056   2.797
    5   1HB   GLU   1          2HB       GLU   1   2.334  -5.015   2.985
    6   2HB   GLU   1          1HB       GLU   1   3.120  -4.362   1.555
    7   1HG   GLU   1          2HG       GLU   1   4.509  -3.067   3.432
    8   2HG   GLU   1          1HG       GLU   1   4.068  -4.508   4.346
    9    H    VAL   2           H        VAL   2   2.441  -1.366   0.761
   10    HA   VAL   2           HA       VAL   2  -0.131  -1.336  -0.389
   11    HB   VAL   2           HB       VAL   2   1.635   0.410  -0.702
   12   1HG1  VAL   2          1HG1      VAL   2   2.780  -0.991  -3.018
   13   2HG1  VAL   2          2HG1      VAL   2   3.259  -1.622  -1.442
   14   3HG1  VAL   2          3HG1      VAL   2   3.546   0.072  -1.838
   15   1HG2  VAL   2          1HG2      VAL   2  -0.168  -0.683  -2.712
   16   2HG2  VAL   2          2HG2      VAL   2   1.143   0.270  -3.407
   17   3HG2  VAL   2          3HG2      VAL   2   0.078   0.986  -2.198
   18    H    ARG   3           H        ARG   3   2.640  -3.407  -0.849
   19    HA   ARG   3           HA       ARG   3   1.848  -4.549  -3.319
   20   1HB   ARG   3          2HB       ARG   3   4.132  -4.629  -1.984
   21   2HB   ARG   3          1HB       ARG   3   3.446  -6.115  -1.343
   22   1HG   ARG   3          2HG       ARG   3   4.461  -7.030  -3.124
   23   2HG   ARG   3          1HG       ARG   3   3.005  -6.497  -3.967
   24   1HD   ARG   3          2HD       ARG   3   4.394  -4.266  -4.218
   25   2HD   ARG   3          1HD       ARG   3   5.758  -5.365  -4.011
   26    HE   ARG   3           HE       ARG   3   3.860  -6.239  -5.985
   27   1HH1  ARG   3          1HH1      ARG   3   6.677  -4.261  -5.405
   28   2HH1  ARG   3          2HH1      ARG   3   7.198  -4.301  -7.056
   29   1HH2  ARG   3          1HH2      ARG   3   4.545  -6.293  -8.156
   30   2HH2  ARG   3          2HH2      ARG   3   5.988  -5.454  -8.618
   31    H    ALA   4           H        ALA   4   0.984  -5.162  -0.002
   32    HA   ALA   4           HA       ALA   4  -0.373  -7.645  -0.713
   33   1HB   ALA   4          1HB       ALA   4  -0.821  -7.794   1.741
   34   2HB   ALA   4          2HB       ALA   4   0.113  -6.312   1.942
   35   3HB   ALA   4          3HB       ALA   4   0.888  -7.763   1.308
   36    H    CYS   5           H        CYS   5  -1.124  -4.477  -0.920
   37    HA   CYS   5           HA       CYS   5  -3.736  -4.458   0.244
   38   1HB   CYS   5          2HB       CYS   5  -2.266  -2.423  -0.229
   39   2HB   CYS   5          1HB       CYS   5  -2.766  -2.584  -1.906
   40    H    SER   6           H        SER   6  -5.718  -4.120  -1.018
   41    HA   SER   6           HA       SER   6  -5.668  -5.617  -3.554
   42   1HB   SER   6          2HB       SER   6  -7.978  -5.517  -1.604
   43   2HB   SER   6          1HB       SER   6  -7.821  -6.548  -3.026
   44    HG   SER   6           HG       SER   6  -6.012  -7.533  -1.966
   45    H    LEU   7           H        LEU   7  -5.601  -2.631  -2.789
   46    HA   LEU   7           HA       LEU   7  -8.017  -1.783  -4.234
   47   1HB   LEU   7          2HB       LEU   7  -6.096  -0.146  -2.578
   48   2HB   LEU   7          1HB       LEU   7  -7.545   0.458  -3.355
   49    HG   LEU   7           HG       LEU   7  -7.967  -1.804  -1.510
   50   1HD1  LEU   7          1HD1      LEU   7  -7.146  -0.930   0.360
   51   2HD1  LEU   7          2HD1      LEU   7  -7.857   0.646   0.012
   52   3HD1  LEU   7          3HD1      LEU   7  -6.274   0.228  -0.643
   53   1HD2  LEU   7          1HD2      LEU   7  -9.333   0.871  -1.660
   54   2HD2  LEU   7          2HD2      LEU   7  -9.959  -0.639  -0.996
   55   3HD2  LEU   7          3HD2      LEU   7  -9.727  -0.470  -2.736
   56    HA   PRO   8           HA       PRO   8  -5.482  -0.727  -7.717
   57   1HB   PRO   8          2HB       PRO   8  -7.222   0.758  -9.113
   58   2HB   PRO   8          1HB       PRO   8  -7.463  -0.979  -8.889
   59   1HG   PRO   8          2HG       PRO   8  -8.743   1.313  -7.452
   60   2HG   PRO   8          1HG       PRO   8  -9.478  -0.186  -8.048
   61   1HD   PRO   8          2HD       PRO   8  -8.735   0.234  -5.436
   62   2HD   PRO   8          1HD       PRO   8  -8.856  -1.367  -6.190
   63    H    HIS   9           H        HIS   9  -6.565   1.535  -5.420
   64    HA   HIS   9           HA       HIS   9  -5.497   3.890  -6.691
   65   1HB   HIS   9          2HB       HIS   9  -7.421   3.880  -5.041
   66   2HB   HIS   9          1HB       HIS   9  -6.237   3.542  -3.781
   67    HD1  HIS   9           1HD      HIS   9  -7.821   6.284  -5.546
   68    HD2  HIS   9           2HD      HIS   9  -4.227   5.673  -3.552
   69    HE1  HIS   9           1HE      HIS   9  -6.927   8.583  -5.054
   70    HE2  HIS   9           2HE      HIS   9  -4.709   8.188  -3.925
   71    H    CYS  10           H        CYS  10  -4.622   1.889  -3.900
   72    HA   CYS  10           HA       CYS  10  -2.212   3.230  -3.315
   73   1HB   CYS  10          2HB       CYS  10  -2.714   0.329  -2.695
   74   2HB   CYS  10          1HB       CYS  10  -1.791   1.503  -1.764
   75    H    ARG  11           H        ARG  11  -3.040   0.803  -5.644
   76    HA   ARG  11           HA       ARG  11  -0.378  -0.139  -6.098
   77   1HB   ARG  11          2HB       ARG  11  -2.447  -1.432  -6.651
   78   2HB   ARG  11          1HB       ARG  11  -2.758  -0.293  -7.953
   79   1HG   ARG  11          2HG       ARG  11  -0.777  -0.966  -9.107
   80   2HG   ARG  11          1HG       ARG  11  -0.262  -1.959  -7.742
   81   1HD   ARG  11          2HD       ARG  11  -2.736  -2.972  -8.245
   82   2HD   ARG  11          1HD       ARG  11  -2.210  -2.522  -9.867
   83    HE   ARG  11           HE       ARG  11  -0.147  -3.927  -8.568
   84   1HH1  ARG  11          1HH1      ARG  11  -3.304  -4.453  -9.957
   85   2HH1  ARG  11          2HH1      ARG  11  -2.988  -6.107 -10.362
   86   1HH2  ARG  11          1HH2      ARG  11   0.271  -6.102  -9.100
   87   2HH2  ARG  11          2HH2      ARG  11  -0.959  -7.043  -9.875
   88    H    THR  12           H        THR  12   0.816   1.799  -6.340
   89    HA   THR  12           HA       THR  12   0.696   2.877  -9.055
   90    HB   THR  12           HB       THR  12   0.756   4.561  -6.545
   91    HG1  THR  12           1HG      THR  12  -1.240   5.161  -7.100
   92   1HG2  THR  12          1HG2      THR  12   1.779   5.177  -9.131
   93   2HG2  THR  12          2HG2      THR  12   1.699   6.194  -7.693
   94   3HG2  THR  12          3HG2      THR  12   0.347   6.159  -8.825
   95    H    MET  13           H        MET  13   2.581   4.362  -6.512
   96    HA   MET  13           HA       MET  13   5.013   3.334  -7.779
   97   1HB   MET  13          2HB       MET  13   4.711   5.633  -5.837
   98   2HB   MET  13          1HB       MET  13   6.164   5.201  -6.729
   99   1HG   MET  13          2HG       MET  13   3.762   5.730  -8.349
  100   2HG   MET  13          1HG       MET  13   4.446   7.112  -7.496
  101   1HE   MET  13          1HE       MET  13   7.162   8.322  -9.104
  102   2HE   MET  13          2HE       MET  13   7.961   7.037  -8.198
  103   3HE   MET  13          3HE       MET  13   6.566   7.866  -7.508
  104    H    LYS  14           H        LYS  14   3.212   1.992  -5.756
  105    HA   LYS  14           HA       LYS  14   3.352   0.708  -3.899
  106   1HB   LYS  14          2HB       LYS  14   5.321  -0.591  -3.630
  107   2HB   LYS  14          1HB       LYS  14   5.151  -0.287  -5.351
  108   1HG   LYS  14          2HG       LYS  14   6.966   1.139  -5.413
  109   2HG   LYS  14          1HG       LYS  14   6.882   1.491  -3.686
  110   1HD   LYS  14          2HD       LYS  14   7.568  -1.233  -4.766
  111   2HD   LYS  14          1HD       LYS  14   8.787  -0.001  -4.435
  112   1HE   LYS  14          2HE       LYS  14   7.752   0.117  -2.093
  113   2HE   LYS  14          1HE       LYS  14   6.961  -1.403  -2.509
  114   1HZ   LYS  14          1HZ       LYS  14   9.870  -0.869  -2.326
  115   2HZ   LYS  14          2HZ       LYS  14   9.237  -2.270  -3.031
  116   3HZ   LYS  14          3HZ       LYS  14   8.953  -1.945  -1.396
  117    H    ASN  15           H        ASN  15   3.519   3.564  -3.517
  118    HA   ASN  15           HA       ASN  15   5.442   4.196  -1.538
  119   1HB   ASN  15          2HB       ASN  15   3.820   6.111  -1.067
  120   2HB   ASN  15          1HB       ASN  15   4.490   6.027  -2.689
  121   1HD2  ASN  15          1HD2      ASN  15   3.003   6.690  -4.055
  122   2HD2  ASN  15          2HD2      ASN  15   1.342   6.215  -4.063
  123    H    VAL  16           H        VAL  16   5.171   2.214  -0.255
  124    HA   VAL  16           HA       VAL  16   2.985   1.341   1.107
  125    HB   VAL  16           HB       VAL  16   5.700   1.583   2.386
  126   1HG1  VAL  16          1HG1      VAL  16   3.238   0.033   2.951
  127   2HG1  VAL  16          2HG1      VAL  16   4.418   0.730   4.060
  128   3HG1  VAL  16          3HG1      VAL  16   4.787  -0.770   3.210
  129   1HG2  VAL  16          1HG2      VAL  16   6.313   0.531   0.453
  130   2HG2  VAL  16          2HG2      VAL  16   4.711  -0.159   0.191
  131   3HG2  VAL  16          3HG2      VAL  16   5.791  -0.866   1.394
  132    H    LEU  17           H        LEU  17   5.019   4.104   1.984
  133    HA   LEU  17           HA       LEU  17   3.899   4.620   4.492
  134   1HB   LEU  17          2HB       LEU  17   4.948   6.677   2.558
  135   2HB   LEU  17          1HB       LEU  17   4.838   6.830   4.300
  136    HG   LEU  17           HG       LEU  17   6.496   4.608   3.229
  137   1HD1  LEU  17          1HD1      LEU  17   8.312   5.909   2.624
  138   2HD1  LEU  17          2HD1      LEU  17   7.682   7.345   3.430
  139   3HD1  LEU  17          3HD1      LEU  17   6.956   6.791   1.922
  140   1HD2  LEU  17          1HD2      LEU  17   7.389   6.449   5.360
  141   2HD2  LEU  17          2HD2      LEU  17   7.489   4.691   5.260
  142   3HD2  LEU  17          3HD2      LEU  17   5.969   5.464   5.711
  143    H    ASN  18           H        ASN  18   2.883   5.488   1.278
  144    HA   ASN  18           HA       ASN  18   0.794   7.256   2.128
  145   1HB   ASN  18          2HB       ASN  18   2.033   6.573  -0.331
  146   2HB   ASN  18          1HB       ASN  18   0.314   6.239  -0.508
  147   1HD2  ASN  18          1HD2      ASN  18  -0.935   7.871  -1.059
  148   2HD2  ASN  18          2HD2      ASN  18  -0.542   9.546  -0.908
  149    H    HIS  19           H        HIS  19   1.067   3.876   1.291
  150    HA   HIS  19           HA       HIS  19  -1.746   3.386   1.237
  151   1HB   HIS  19          2HB       HIS  19  -0.626   1.818  -0.033
  152   2HB   HIS  19          1HB       HIS  19   0.718   1.710   1.095
  153    HD2  HIS  19           2HD      HIS  19   0.610  -0.338   2.857
  154    HE1  HIS  19           1HE      HIS  19  -3.331  -1.565   1.960
  155    HE2  HIS  19           2HE      HIS  19  -1.280  -2.030   3.372
  156    H    MET  20           H        MET  20   0.791   2.320   3.518
  157    HA   MET  20           HA       MET  20  -0.897   1.280   5.455
  158   1HB   MET  20          2HB       MET  20   1.883   2.341   5.456
  159   2HB   MET  20          1HB       MET  20   1.108   2.095   7.015
  160   1HG   MET  20          2HG       MET  20   0.878  -0.144   5.126
  161   2HG   MET  20          1HG       MET  20   2.508   0.210   5.695
  162   1HE   MET  20          1HE       MET  20   0.070  -2.109   5.990
  163   2HE   MET  20          2HE       MET  20   0.214  -2.750   7.626
  164   3HE   MET  20          3HE       MET  20   1.628  -2.694   6.574
  165    H    THR  21           H        THR  21  -0.272   4.579   4.669
  166    HA   THR  21           HA       THR  21  -0.973   5.730   7.156
  167    HB   THR  21           HB       THR  21  -0.299   6.647   4.483
  168    HG1  THR  21           1HG      THR  21   0.857   8.036   5.630
  169   1HG2  THR  21          1HG2      THR  21  -1.352   8.838   4.594
  170   2HG2  THR  21          2HG2      THR  21  -2.300   8.318   5.988
  171   3HG2  THR  21          3HG2      THR  21  -2.552   7.558   4.416
  172    H    HIS  22           H        HIS  22  -2.847   4.323   4.643
  173    HA   HIS  22           HA       HIS  22  -5.289   5.272   5.983
  174   1HB   HIS  22          2HB       HIS  22  -6.425   5.428   3.811
  175   2HB   HIS  22          1HB       HIS  22  -5.060   6.533   3.914
  176    HD1  HIS  22           1HD      HIS  22  -4.767   6.662   1.384
  177    HD2  HIS  22           2HD      HIS  22  -4.442   2.783   2.865
  178    HE1  HIS  22           1HE      HIS  22  -3.843   5.285  -0.504
  179    HE2  HIS  22           2HE      HIS  22  -3.424   3.029   0.518
  180    H    CYS  23           H        CYS  23  -3.488   2.633   4.936
  181    HA   CYS  23           HA       CYS  23  -5.860   0.915   4.899
  182   1HB   CYS  23          2HB       CYS  23  -3.366   1.030   3.344
  183   2HB   CYS  23          1HB       CYS  23  -3.864  -0.575   3.831
  184    H    GLN  24           H        GLN  24  -5.139  -1.448   5.505
  185    HA   GLN  24           HA       GLN  24  -3.353  -1.376   7.836
  186   1HB   GLN  24          2HB       GLN  24  -4.930  -2.705   9.137
  187   2HB   GLN  24          1HB       GLN  24  -5.667  -1.188   8.642
  188   1HG   GLN  24          2HG       GLN  24  -6.679  -2.486   6.709
  189   2HG   GLN  24          1HG       GLN  24  -6.175  -3.941   7.569
  190   1HE2  GLN  24          1HE2      GLN  24  -8.224  -4.676   7.969
  191   2HE2  GLN  24          2HE2      GLN  24  -9.315  -3.894   9.057
  192    H    ALA  25           H        ALA  25  -3.110  -3.768   8.669
  193    HA   ALA  25           HA       ALA  25  -2.599  -5.977   8.282
  194   1HB   ALA  25          1HB       ALA  25  -3.399  -7.112   6.489
  195   2HB   ALA  25          2HB       ALA  25  -2.937  -5.853   5.343
  196   3HB   ALA  25          3HB       ALA  25  -4.387  -5.660   6.328
  197    H    GLY  26           H        GLY  26  -0.475  -5.770   8.789
  198   1HA   GLY  26          2HA       GLY  26   1.553  -6.381   7.166
  199   2HA   GLY  26          1HA       GLY  26   1.388  -4.661   6.847
  200    H    LYS  27           H        LYS  27   1.104  -6.519   9.866
  201    HA   LYS  27           HA       LYS  27   2.152  -6.320  11.874
  202   1HB   LYS  27          2HB       LYS  27   4.130  -6.675  10.130
  203   2HB   LYS  27          1HB       LYS  27   4.543  -5.043  10.637
  204   1HG   LYS  27          2HG       LYS  27   5.151  -5.692  12.723
  205   2HG   LYS  27          1HG       LYS  27   3.987  -7.018  12.770
  206   1HD   LYS  27          2HD       LYS  27   6.450  -7.040  11.037
  207   2HD   LYS  27          1HD       LYS  27   6.414  -7.697  12.674
  208   1HE   LYS  27          2HE       LYS  27   4.308  -8.585  10.779
  209   2HE   LYS  27          1HE       LYS  27   5.944  -9.195  10.528
  210   1HZ   LYS  27          1HZ       LYS  27   4.068  -9.740  12.688
  211   2HZ   LYS  27          2HZ       LYS  27   5.697  -9.609  13.126
  212   3HZ   LYS  27          3HZ       LYS  27   5.221 -10.751  11.973
  Start of MODEL    7
    1   1H    GLU   1          1HT       GLU   1   0.476  -4.175   3.383
    2   2H    GLU   1          2HT       GLU   1   0.564  -2.517   3.821
    3   3H    GLU   1          3HT       GLU   1   1.730  -3.628   4.416
    4    HA   GLU   1           HA       GLU   1   2.503  -2.194   2.602
    5   1HB   GLU   1          2HB       GLU   1   2.439  -5.201   2.412
    6   2HB   GLU   1          1HB       GLU   1   3.388  -4.230   1.295
    7   1HG   GLU   1          2HG       GLU   1   4.679  -3.323   3.124
    8   2HG   GLU   1          1HG       GLU   1   3.681  -4.190   4.290
    9    H    VAL   2           H        VAL   2   2.166  -1.349   0.654
   10    HA   VAL   2           HA       VAL   2  -0.309  -1.483  -0.605
   11    HB   VAL   2           HB       VAL   2   1.400   0.341  -0.839
   12   1HG1  VAL   2          1HG1      VAL   2   2.593  -1.036  -3.170
   13   2HG1  VAL   2          2HG1      VAL   2   3.139  -1.545  -1.573
   14   3HG1  VAL   2          3HG1      VAL   2   3.297   0.142  -2.062
   15   1HG2  VAL   2          1HG2      VAL   2   0.920   0.250  -3.555
   16   2HG2  VAL   2          2HG2      VAL   2  -0.160   0.916  -2.330
   17   3HG2  VAL   2          3HG2      VAL   2  -0.367  -0.748  -2.877
   18    H    ARG   3           H        ARG   3   2.581  -3.391  -1.083
   19    HA   ARG   3           HA       ARG   3   1.879  -4.523  -3.579
   20   1HB   ARG   3          2HB       ARG   3   4.150  -4.516  -2.266
   21   2HB   ARG   3          1HB       ARG   3   3.531  -6.009  -1.573
   22   1HG   ARG   3          2HG       ARG   3   4.577  -6.939  -3.328
   23   2HG   ARG   3          1HG       ARG   3   3.098  -6.494  -4.182
   24   1HD   ARG   3          2HD       ARG   3   4.864  -5.725  -5.536
   25   2HD   ARG   3          1HD       ARG   3   4.237  -4.294  -4.717
   26    HE   ARG   3           HE       ARG   3   6.412  -5.494  -3.305
   27   1HH1  ARG   3          1HH1      ARG   3   5.607  -3.373  -5.956
   28   2HH1  ARG   3          2HH1      ARG   3   7.115  -2.524  -5.899
   29   1HH2  ARG   3          1HH2      ARG   3   8.396  -4.379  -3.228
   30   2HH2  ARG   3          2HH2      ARG   3   8.699  -3.095  -4.351
   31    H    ALA   4           H        ALA   4   0.970  -5.232  -0.298
   32    HA   ALA   4           HA       ALA   4  -0.266  -7.756  -1.095
   33   1HB   ALA   4          1HB       ALA   4   0.808  -8.141   0.896
   34   2HB   ALA   4          2HB       ALA   4  -0.814  -7.749   1.465
   35   3HB   ALA   4          3HB       ALA   4   0.458  -6.529   1.520
   36    H    CYS   5           H        CYS   5  -1.128  -4.594  -1.125
   37    HA   CYS   5           HA       CYS   5  -3.755  -4.749  -0.007
   38   1HB   CYS   5          2HB       CYS   5  -2.366  -2.634  -0.315
   39   2HB   CYS   5          1HB       CYS   5  -2.820  -2.705  -2.012
   40    H    SER   6           H        SER   6  -5.730  -4.400  -1.284
   41    HA   SER   6           HA       SER   6  -5.579  -5.702  -3.922
   42   1HB   SER   6          2HB       SER   6  -8.019  -6.394  -3.341
   43   2HB   SER   6          1HB       SER   6  -6.688  -7.288  -2.605
   44    HG   SER   6           HG       SER   6  -8.631  -5.872  -1.413
   45    H    LEU   7           H        LEU   7  -5.631  -2.795  -2.966
   46    HA   LEU   7           HA       LEU   7  -8.088  -1.930  -4.325
   47   1HB   LEU   7          2HB       LEU   7  -6.205  -0.392  -2.540
   48   2HB   LEU   7          1HB       LEU   7  -7.632   0.277  -3.307
   49    HG   LEU   7           HG       LEU   7  -8.095  -2.118  -1.643
   50   1HD1  LEU   7          1HD1      LEU   7  -8.107   0.127   0.111
   51   2HD1  LEU   7          2HD1      LEU   7  -6.502  -0.028  -0.603
   52   3HD1  LEU   7          3HD1      LEU   7  -7.219  -1.390   0.257
   53   1HD2  LEU   7          1HD2      LEU   7 -10.094  -0.946  -1.059
   54   2HD2  LEU   7          2HD2      LEU   7  -9.859  -0.785  -2.799
   55   3HD2  LEU   7          3HD2      LEU   7  -9.469   0.561  -1.728
   56    HA   PRO   8           HA       PRO   8  -5.573  -0.919  -7.885
   57   1HB   PRO   8          2HB       PRO   8  -7.861   0.803  -8.620
   58   2HB   PRO   8          1HB       PRO   8  -7.126  -0.532  -9.512
   59   1HG   PRO   8          2HG       PRO   8  -9.521  -0.790  -8.349
   60   2HG   PRO   8          1HG       PRO   8  -8.365  -2.135  -8.400
   61   1HD   PRO   8          2HD       PRO   8  -9.035  -0.295  -6.136
   62   2HD   PRO   8          1HD       PRO   8  -8.726  -2.044  -6.116
   63    H    HIS   9           H        HIS   9  -6.878   1.305  -5.599
   64    HA   HIS   9           HA       HIS   9  -5.796   3.699  -6.720
   65   1HB   HIS   9          2HB       HIS   9  -7.708   3.540  -5.039
   66   2HB   HIS   9          1HB       HIS   9  -6.478   3.234  -3.814
   67    HD1  HIS   9           1HD      HIS   9  -8.222   5.934  -5.505
   68    HD2  HIS   9           2HD      HIS   9  -4.581   5.452  -3.561
   69    HE1  HIS   9           1HE      HIS   9  -7.429   8.262  -4.977
   70    HE2  HIS   9           2HE      HIS   9  -5.183   7.949  -3.879
   71    H    CYS  10           H        CYS  10  -4.901   1.736  -3.906
   72    HA   CYS  10           HA       CYS  10  -2.504   3.060  -3.327
   73   1HB   CYS  10          2HB       CYS  10  -2.937   0.131  -2.796
   74   2HB   CYS  10          1HB       CYS  10  -2.043   1.298  -1.829
   75    H    ARG  11           H        ARG  11  -3.299   0.699  -5.731
   76    HA   ARG  11           HA       ARG  11  -0.604  -0.153  -6.227
   77   1HB   ARG  11          2HB       ARG  11  -2.680  -1.487  -6.764
   78   2HB   ARG  11          1HB       ARG  11  -2.971  -0.370  -8.090
   79   1HG   ARG  11          2HG       ARG  11  -1.329  -1.243  -9.371
   80   2HG   ARG  11          1HG       ARG  11  -0.297  -1.615  -7.988
   81   1HD   ARG  11          2HD       ARG  11  -1.634  -3.545  -7.450
   82   2HD   ARG  11          1HD       ARG  11  -2.800  -3.134  -8.707
   83    HE   ARG  11           HE       ARG  11  -0.468  -3.386 -10.065
   84   1HH1  ARG  11          1HH1      ARG  11  -2.187  -5.450  -7.838
   85   2HH1  ARG  11          2HH1      ARG  11  -1.605  -6.916  -8.552
   86   1HH2  ARG  11          1HH2      ARG  11   0.298  -5.313 -11.007
   87   2HH2  ARG  11          2HH2      ARG  11  -0.194  -6.839 -10.351
   88    H    THR  12           H        THR  12   0.506   1.838  -6.460
   89    HA   THR  12           HA       THR  12   0.076   3.116  -9.078
   90    HB   THR  12           HB       THR  12   0.889   4.451  -6.490
   91    HG1  THR  12           1HG      THR  12  -1.457   4.541  -8.065
   92   1HG2  THR  12          1HG2      THR  12   1.355   5.284  -9.183
   93   2HG2  THR  12          2HG2      THR  12   1.773   6.092  -7.672
   94   3HG2  THR  12          3HG2      THR  12   0.196   6.367  -8.412
   95    H    MET  13           H        MET  13   2.588   3.652  -6.637
   96    HA   MET  13           HA       MET  13   4.562   2.534  -8.510
   97   1HB   MET  13          2HB       MET  13   4.722   5.098  -6.927
   98   2HB   MET  13          1HB       MET  13   6.129   4.331  -7.650
   99   1HG   MET  13          2HG       MET  13   4.701   4.429  -9.831
  100   2HG   MET  13          1HG       MET  13   3.828   5.690  -8.961
  101   1HE   MET  13          1HE       MET  13   5.592   8.391 -10.649
  102   2HE   MET  13          2HE       MET  13   4.823   8.355  -9.062
  103   3HE   MET  13          3HE       MET  13   4.129   7.438 -10.399
  104    H    LYS  14           H        LYS  14   3.144   1.712  -5.882
  105    HA   LYS  14           HA       LYS  14   3.708   0.208  -4.266
  106   1HB   LYS  14          2HB       LYS  14   5.674  -0.901  -4.359
  107   2HB   LYS  14          1HB       LYS  14   5.870  -0.026  -5.868
  108   1HG   LYS  14          2HG       LYS  14   6.987   1.767  -4.288
  109   2HG   LYS  14          1HG       LYS  14   7.229   0.358  -3.258
  110   1HD   LYS  14          2HD       LYS  14   8.106  -0.720  -5.490
  111   2HD   LYS  14          1HD       LYS  14   8.362   0.966  -5.947
  112   1HE   LYS  14          2HE       LYS  14  10.059   1.243  -4.484
  113   2HE   LYS  14          1HE       LYS  14   9.310   0.216  -3.262
  114   1HZ   LYS  14          1HZ       LYS  14  11.168  -0.480  -5.384
  115   2HZ   LYS  14          2HZ       LYS  14   9.924  -1.593  -5.106
  116   3HZ   LYS  14          3HZ       LYS  14  10.970  -1.163  -3.848
  117    H    ASN  15           H        ASN  15   3.525   3.200  -4.053
  118    HA   ASN  15           HA       ASN  15   5.232   4.083  -1.991
  119   1HB   ASN  15          2HB       ASN  15   3.393   5.826  -1.675
  120   2HB   ASN  15          1HB       ASN  15   4.154   5.761  -3.257
  121   1HD2  ASN  15          1HD2      ASN  15   2.674   6.230  -4.711
  122   2HD2  ASN  15          2HD2      ASN  15   1.079   5.572  -4.786
  123    H    VAL  16           H        VAL  16   5.107   2.136  -0.638
  124    HA   VAL  16           HA       VAL  16   2.884   1.169   0.668
  125    HB   VAL  16           HB       VAL  16   5.578   1.469   1.974
  126   1HG1  VAL  16          1HG1      VAL  16   3.238   0.451   2.973
  127   2HG1  VAL  16          2HG1      VAL  16   4.858   0.054   3.546
  128   3HG1  VAL  16          3HG1      VAL  16   4.059  -0.988   2.369
  129   1HG2  VAL  16          1HG2      VAL  16   5.907  -0.885   0.988
  130   2HG2  VAL  16          2HG2      VAL  16   6.130   0.504  -0.074
  131   3HG2  VAL  16          3HG2      VAL  16   4.635  -0.428  -0.144
  132    H    LEU  17           H        LEU  17   4.850   3.987   1.497
  133    HA   LEU  17           HA       LEU  17   3.759   4.516   4.011
  134   1HB   LEU  17          2HB       LEU  17   4.703   6.565   2.014
  135   2HB   LEU  17          1HB       LEU  17   4.615   6.756   3.754
  136    HG   LEU  17           HG       LEU  17   6.331   4.568   2.701
  137   1HD1  LEU  17          1HD1      LEU  17   8.035   5.883   1.944
  138   2HD1  LEU  17          2HD1      LEU  17   7.527   7.282   2.890
  139   3HD1  LEU  17          3HD1      LEU  17   6.656   6.848   1.419
  140   1HD2  LEU  17          1HD2      LEU  17   6.118   6.290   5.100
  141   2HD2  LEU  17          2HD2      LEU  17   7.734   5.770   4.622
  142   3HD2  LEU  17          3HD2      LEU  17   6.487   4.571   4.964
  143    H    ASN  18           H        ASN  18   2.639   5.286   0.807
  144    HA   ASN  18           HA       ASN  18   0.521   7.014   1.667
  145   1HB   ASN  18          2HB       ASN  18   1.689   6.928  -0.648
  146   2HB   ASN  18          1HB       ASN  18   0.573   5.610  -0.990
  147   1HD2  ASN  18          1HD2      ASN  18   0.476   8.852   0.458
  148   2HD2  ASN  18          2HD2      ASN  18  -0.950   9.364  -0.373
  149    H    HIS  19           H        HIS  19   0.891   3.611   1.029
  150    HA   HIS  19           HA       HIS  19  -1.924   3.061   1.031
  151   1HB   HIS  19          2HB       HIS  19  -0.792   1.502  -0.246
  152   2HB   HIS  19          1HB       HIS  19   0.569   1.425   0.864
  153    HD2  HIS  19           2HD      HIS  19   0.527  -0.635   2.607
  154    HE1  HIS  19           1HE      HIS  19  -3.438  -1.876   1.832
  155    HE2  HIS  19           2HE      HIS  19  -1.339  -2.339   3.174
  156    H    MET  20           H        MET  20   0.715   2.134   3.254
  157    HA   MET  20           HA       MET  20  -0.890   1.098   5.270
  158   1HB   MET  20          2HB       MET  20   1.769   1.303   4.919
  159   2HB   MET  20          1HB       MET  20   1.540   2.569   6.117
  160   1HG   MET  20          2HG       MET  20   0.476  -0.208   6.503
  161   2HG   MET  20          1HG       MET  20   2.114   0.251   6.967
  162   1HE   MET  20          1HE       MET  20   1.492  -0.793   9.028
  163   2HE   MET  20          2HE       MET  20   0.525  -0.099  10.329
  164   3HE   MET  20          3HE       MET  20   2.116   0.567   9.961
  165    H    THR  21           H        THR  21  -0.380   4.382   4.370
  166    HA   THR  21           HA       THR  21  -0.992   5.594   6.850
  167    HB   THR  21           HB       THR  21  -0.480   6.440   4.118
  168    HG1  THR  21           1HG      THR  21  -0.256   7.759   6.616
  169   1HG2  THR  21          1HG2      THR  21  -2.448   8.107   5.671
  170   2HG2  THR  21          2HG2      THR  21  -2.760   7.287   4.141
  171   3HG2  THR  21          3HG2      THR  21  -1.589   8.604   4.214
  172    H    HIS  22           H        HIS  22  -2.951   4.069   4.470
  173    HA   HIS  22           HA       HIS  22  -5.347   4.987   5.912
  174   1HB   HIS  22          2HB       HIS  22  -6.592   5.009   3.772
  175   2HB   HIS  22          1HB       HIS  22  -5.304   6.206   3.826
  176    HD1  HIS  22           1HD      HIS  22  -4.953   6.362   1.332
  177    HD2  HIS  22           2HD      HIS  22  -4.602   2.461   2.749
  178    HE1  HIS  22           1HE      HIS  22  -4.026   5.022  -0.582
  179    HE2  HIS  22           2HE      HIS  22  -3.595   2.751   0.402
  180    H    CYS  23           H        CYS  23  -3.554   2.374   4.693
  181    HA   CYS  23           HA       CYS  23  -5.866   0.592   4.876
  182   1HB   CYS  23          2HB       CYS  23  -3.443   0.721   3.208
  183   2HB   CYS  23          1HB       CYS  23  -3.900  -0.880   3.744
  184    H    GLN  24           H        GLN  24  -4.889  -1.775   5.394
  185    HA   GLN  24           HA       GLN  24  -2.917  -1.702   7.516
  186   1HB   GLN  24          2HB       GLN  24  -5.645  -2.802   8.163
  187   2HB   GLN  24          1HB       GLN  24  -4.308  -2.494   9.262
  188   1HG   GLN  24          2HG       GLN  24  -4.585  -0.094   8.940
  189   2HG   GLN  24          1HG       GLN  24  -5.914  -0.395   7.821
  190   1HE2  GLN  24          1HE2      GLN  24  -5.120   0.304  10.957
  191   2HE2  GLN  24          2HE2      GLN  24  -6.602  -0.143  11.726
  192    H    ALA  25           H        ALA  25  -1.694  -3.456   7.356
  193    HA   ALA  25           HA       ALA  25  -2.649  -6.080   7.059
  194   1HB   ALA  25          1HB       ALA  25  -2.944  -4.919   4.698
  195   2HB   ALA  25          2HB       ALA  25  -2.443  -6.603   4.850
  196   3HB   ALA  25          3HB       ALA  25  -1.240  -5.350   4.549
  197    H    GLY  26           H        GLY  26  -1.112  -5.988   8.857
  198   1HA   GLY  26          2HA       GLY  26   1.357  -7.154   8.201
  199   2HA   GLY  26          1HA       GLY  26   1.627  -5.451   8.539
  200    H    LYS  27           H        LYS  27   2.377  -5.180  10.524
  201    HA   LYS  27           HA       LYS  27   2.213  -7.078  12.579
  202   1HB   LYS  27          2HB       LYS  27   3.674  -4.834  12.184
  203   2HB   LYS  27          1HB       LYS  27   2.530  -4.250  13.384
  204   1HG   LYS  27          2HG       LYS  27   4.048  -5.035  14.835
  205   2HG   LYS  27          1HG       LYS  27   3.262  -6.583  14.517
  206   1HD   LYS  27          2HD       LYS  27   5.042  -6.497  12.481
  207   2HD   LYS  27          1HD       LYS  27   5.926  -5.609  13.724
  208   1HE   LYS  27          2HE       LYS  27   4.612  -8.089  14.617
  209   2HE   LYS  27          1HE       LYS  27   5.941  -8.301  13.478
  210   1HZ   LYS  27          1HZ       LYS  27   6.024  -6.980  16.130
  211   2HZ   LYS  27          2HZ       LYS  27   7.275  -6.847  15.000
  212   3HZ   LYS  27          3HZ       LYS  27   6.866  -8.361  15.632
  Start of MODEL    8
    1   1H    GLU   1          1HT       GLU   1  -0.091  -4.103   3.553
    2   2H    GLU   1          2HT       GLU   1   0.154  -2.503   4.122
    3   3H    GLU   1          3HT       GLU   1   1.161  -3.777   4.677
    4    HA   GLU   1           HA       GLU   1   2.109  -2.252   2.973
    5   1HB   GLU   1          2HB       GLU   1   2.585  -4.815   3.611
    6   2HB   GLU   1          1HB       GLU   1   2.122  -5.038   1.930
    7   1HG   GLU   1          2HG       GLU   1   3.867  -3.543   1.206
    8   2HG   GLU   1          1HG       GLU   1   4.285  -3.173   2.878
    9    H    VAL   2           H        VAL   2   1.870  -1.312   1.072
   10    HA   VAL   2           HA       VAL   2  -0.508  -1.379  -0.362
   11    HB   VAL   2           HB       VAL   2   1.186   0.451  -0.407
   12   1HG1  VAL   2          1HG1      VAL   2   3.026  -1.368  -0.970
   13   2HG1  VAL   2          2HG1      VAL   2   3.191   0.313  -1.473
   14   3HG1  VAL   2          3HG1      VAL   2   2.626  -0.899  -2.622
   15   1HG2  VAL   2          1HG2      VAL   2  -0.385  -0.573  -2.612
   16   2HG2  VAL   2          2HG2      VAL   2   0.987   0.378  -3.180
   17   3HG2  VAL   2          3HG2      VAL   2  -0.172   1.087  -2.056
   18    H    ARG   3           H        ARG   3   2.430  -3.249  -0.762
   19    HA   ARG   3           HA       ARG   3   1.893  -4.274  -3.334
   20   1HB   ARG   3          2HB       ARG   3   4.025  -4.385  -1.703
   21   2HB   ARG   3          1HB       ARG   3   3.357  -5.982  -1.398
   22   1HG   ARG   3          2HG       ARG   3   4.650  -6.546  -3.147
   23   2HG   ARG   3          1HG       ARG   3   3.272  -5.962  -4.081
   24   1HD   ARG   3          2HD       ARG   3   4.368  -4.122  -4.796
   25   2HD   ARG   3          1HD       ARG   3   5.222  -3.910  -3.268
   26    HE   ARG   3           HE       ARG   3   6.972  -5.123  -4.114
   27   1HH1  ARG   3          1HH1      ARG   3   4.180  -5.585  -6.157
   28   2HH1  ARG   3          2HH1      ARG   3   5.063  -6.428  -7.385
   29   1HH2  ARG   3          1HH2      ARG   3   8.135  -6.231  -5.729
   30   2HH2  ARG   3          2HH2      ARG   3   7.308  -6.795  -7.143
   31    H    ALA   4           H        ALA   4   0.715  -5.108  -0.176
   32    HA   ALA   4           HA       ALA   4  -0.498  -7.567  -1.206
   33   1HB   ALA   4          1HB       ALA   4  -0.757  -8.291   1.002
   34   2HB   ALA   4          2HB       ALA   4  -0.594  -6.658   1.650
   35   3HB   ALA   4          3HB       ALA   4   0.813  -7.487   0.985
   36    H    CYS   5           H        CYS   5  -1.308  -4.423  -1.152
   37    HA   CYS   5           HA       CYS   5  -3.955  -4.541  -0.078
   38   1HB   CYS   5          2HB       CYS   5  -2.525  -2.451  -0.317
   39   2HB   CYS   5          1HB       CYS   5  -2.928  -2.485  -2.028
   40    H    SER   6           H        SER   6  -5.906  -4.157  -1.365
   41    HA   SER   6           HA       SER   6  -5.743  -5.442  -4.011
   42   1HB   SER   6          2HB       SER   6  -8.216  -6.046  -3.481
   43   2HB   SER   6          1HB       SER   6  -6.934  -6.982  -2.712
   44    HG   SER   6           HG       SER   6  -8.172  -4.736  -1.504
   45    H    LEU   7           H        LEU   7  -5.756  -2.523  -3.013
   46    HA   LEU   7           HA       LEU   7  -8.123  -1.596  -4.490
   47   1HB   LEU   7          2HB       LEU   7  -6.311  -0.112  -2.585
   48   2HB   LEU   7          1HB       LEU   7  -7.676   0.594  -3.425
   49    HG   LEU   7           HG       LEU   7  -8.358  -1.797  -1.868
   50   1HD1  LEU   7          1HD1      LEU   7  -8.314   0.173   0.100
   51   2HD1  LEU   7          2HD1      LEU   7  -6.721   0.245  -0.654
   52   3HD1  LEU   7          3HD1      LEU   7  -7.311  -1.274   0.019
   53   1HD2  LEU   7          1HD2      LEU   7  -9.487   0.995  -1.809
   54   2HD2  LEU   7          2HD2      LEU   7 -10.269  -0.496  -1.284
   55   3HD2  LEU   7          3HD2      LEU   7  -9.947  -0.226  -2.997
   56    HA   PRO   8           HA       PRO   8  -5.459  -0.221  -7.757
   57   1HB   PRO   8          2HB       PRO   8  -7.158   1.352  -9.104
   58   2HB   PRO   8          1HB       PRO   8  -7.385  -0.400  -9.029
   59   1HG   PRO   8          2HG       PRO   8  -8.756   1.757  -7.474
   60   2HG   PRO   8          1HG       PRO   8  -9.444   0.301  -8.214
   61   1HD   PRO   8          2HD       PRO   8  -8.814   0.527  -5.547
   62   2HD   PRO   8          1HD       PRO   8  -8.890  -1.012  -6.426
   63    H    HIS   9           H        HIS   9  -6.588   1.792  -5.288
   64    HA   HIS   9           HA       HIS   9  -5.530   4.271  -6.332
   65   1HB   HIS   9          2HB       HIS   9  -7.518   4.106  -4.768
   66   2HB   HIS   9          1HB       HIS   9  -6.379   3.677  -3.493
   67    HD1  HIS   9           1HD      HIS   9  -7.948   6.538  -5.054
   68    HD2  HIS   9           2HD      HIS   9  -4.385   5.804  -3.046
   69    HE1  HIS   9           1HE      HIS   9  -7.097   8.797  -4.349
   70    HE2  HIS   9           2HE      HIS   9  -4.898   8.335  -3.208
   71    H    CYS  10           H        CYS  10  -4.717   1.999  -3.741
   72    HA   CYS  10           HA       CYS  10  -2.326   3.340  -2.985
   73   1HB   CYS  10          2HB       CYS  10  -2.849   0.429  -2.463
   74   2HB   CYS  10          1HB       CYS  10  -1.999   1.592  -1.455
   75    H    ARG  11           H        ARG  11  -3.111   0.864  -5.312
   76    HA   ARG  11           HA       ARG  11  -0.414   0.009  -5.745
   77   1HB   ARG  11          2HB       ARG  11  -2.993  -0.817  -6.567
   78   2HB   ARG  11          1HB       ARG  11  -2.085  -0.473  -8.032
   79   1HG   ARG  11          2HG       ARG  11  -0.697  -2.067  -5.972
   80   2HG   ARG  11          1HG       ARG  11  -2.049  -2.842  -6.798
   81   1HD   ARG  11          2HD       ARG  11  -0.203  -1.403  -8.565
   82   2HD   ARG  11          1HD       ARG  11   0.516  -2.771  -7.718
   83    HE   ARG  11           HE       ARG  11  -2.008  -3.370  -8.960
   84   1HH1  ARG  11          1HH1      ARG  11   1.445  -3.189  -9.433
   85   2HH1  ARG  11          2HH1      ARG  11   1.450  -4.313 -10.750
   86   1HH2  ARG  11          1HH2      ARG  11  -2.004  -4.849 -10.692
   87   2HH2  ARG  11          2HH2      ARG  11  -0.508  -5.256 -11.465
   88    H    THR  12           H        THR  12   0.704   1.984  -6.046
   89    HA   THR  12           HA       THR  12   0.389   3.083  -8.755
   90    HB   THR  12           HB       THR  12   0.896   4.659  -6.225
   91    HG1  THR  12           1HG      THR  12  -1.263   4.742  -8.060
   92   1HG2  THR  12          1HG2      THR  12   0.393   6.540  -8.060
   93   2HG2  THR  12          2HG2      THR  12   1.257   5.371  -9.059
   94   3HG2  THR  12          3HG2      THR  12   2.020   6.028  -7.611
   95    H    MET  13           H        MET  13   2.645   3.949  -6.162
   96    HA   MET  13           HA       MET  13   4.842   2.994  -7.873
   97   1HB   MET  13          2HB       MET  13   4.747   5.316  -5.945
   98   2HB   MET  13          1HB       MET  13   6.230   4.721  -6.681
   99   1HG   MET  13          2HG       MET  13   4.808   5.074  -8.896
  100   2HG   MET  13          1HG       MET  13   3.999   6.258  -7.870
  101   1HE   MET  13          1HE       MET  13   6.284   6.825 -10.699
  102   2HE   MET  13          2HE       MET  13   6.199   8.475 -10.081
  103   3HE   MET  13          3HE       MET  13   4.759   7.456 -10.078
  104    H    LYS  14           H        LYS  14   3.175   2.028  -5.310
  105    HA   LYS  14           HA       LYS  14   3.598   0.384  -3.792
  106   1HB   LYS  14          2HB       LYS  14   5.455  -0.886  -3.974
  107   2HB   LYS  14          1HB       LYS  14   5.746   0.081  -5.410
  108   1HG   LYS  14          2HG       LYS  14   7.005   1.641  -3.704
  109   2HG   LYS  14          1HG       LYS  14   7.094   0.153  -2.764
  110   1HD   LYS  14          2HD       LYS  14   8.148  -0.986  -4.649
  111   2HD   LYS  14          1HD       LYS  14   8.039   0.490  -5.609
  112   1HE   LYS  14          2HE       LYS  14   9.760   1.488  -4.521
  113   2HE   LYS  14          1HE       LYS  14   9.373   0.719  -2.982
  114   1HZ   LYS  14          1HZ       LYS  14  10.908  -0.379  -5.253
  115   2HZ   LYS  14          2HZ       LYS  14  10.208  -1.401  -4.102
  116   3HZ   LYS  14          3HZ       LYS  14  11.362  -0.259  -3.627
  117    H    ASN  15           H        ASN  15   3.736   3.388  -3.407
  118    HA   ASN  15           HA       ASN  15   5.485   3.922  -1.255
  119   1HB   ASN  15          2HB       ASN  15   3.875   5.866  -0.875
  120   2HB   ASN  15          1HB       ASN  15   4.673   5.799  -2.439
  121   1HD2  ASN  15          1HD2      ASN  15   3.326   6.503  -3.922
  122   2HD2  ASN  15          2HD2      ASN  15   1.657   6.080  -4.067
  123    H    VAL  16           H        VAL  16   5.061   1.921  -0.039
  124    HA   VAL  16           HA       VAL  16   2.698   1.164   1.141
  125    HB   VAL  16           HB       VAL  16   5.357   1.072   2.550
  126   1HG1  VAL  16          1HG1      VAL  16   2.748  -0.324   2.865
  127   2HG1  VAL  16          2HG1      VAL  16   3.853   0.294   4.093
  128   3HG1  VAL  16          3HG1      VAL  16   4.232  -1.202   3.237
  129   1HG2  VAL  16          1HG2      VAL  16   6.018   0.027   0.652
  130   2HG2  VAL  16          2HG2      VAL  16   4.370  -0.375   0.170
  131   3HG2  VAL  16          3HG2      VAL  16   5.191  -1.340   1.398
  132    H    LEU  17           H        LEU  17   4.850   3.776   2.089
  133    HA   LEU  17           HA       LEU  17   3.856   4.279   4.642
  134   1HB   LEU  17          2HB       LEU  17   4.814   6.343   2.667
  135   2HB   LEU  17          1HB       LEU  17   4.775   6.502   4.411
  136    HG   LEU  17           HG       LEU  17   6.393   4.290   3.245
  137   1HD1  LEU  17          1HD1      LEU  17   8.289   6.126   3.338
  138   2HD1  LEU  17          2HD1      LEU  17   6.944   7.190   2.928
  139   3HD1  LEU  17          3HD1      LEU  17   7.351   5.837   1.873
  140   1HD2  LEU  17          1HD2      LEU  17   6.285   5.910   5.724
  141   2HD2  LEU  17          2HD2      LEU  17   7.866   5.333   5.197
  142   3HD2  LEU  17          3HD2      LEU  17   6.566   4.183   5.508
  143    H    ASN  18           H        ASN  18   2.666   5.182   1.501
  144    HA   ASN  18           HA       ASN  18   0.629   6.944   2.479
  145   1HB   ASN  18          2HB       ASN  18   1.786   6.636   0.052
  146   2HB   ASN  18          1HB       ASN  18   0.297   5.728  -0.198
  147   1HD2  ASN  18          1HD2      ASN  18   1.707   8.835   0.321
  148   2HD2  ASN  18          2HD2      ASN  18   0.279   9.765   0.037
  149    H    HIS  19           H        HIS  19   0.825   3.583   1.519
  150    HA   HIS  19           HA       HIS  19  -1.995   3.123   1.729
  151   1HB   HIS  19          2HB       HIS  19  -0.969   1.662   0.229
  152   2HB   HIS  19          1HB       HIS  19   0.406   1.382   1.287
  153    HD2  HIS  19           2HD      HIS  19   0.172  -0.704   3.035
  154    HE1  HIS  19           1HE      HIS  19  -3.752  -1.795   1.914
  155    HE2  HIS  19           2HE      HIS  19  -1.773  -2.375   3.386
  156    H    MET  20           H        MET  20   0.657   3.161   3.924
  157    HA   MET  20           HA       MET  20  -0.731   1.557   5.906
  158   1HB   MET  20          2HB       MET  20   1.891   1.831   5.414
  159   2HB   MET  20          1HB       MET  20   1.708   3.083   6.634
  160   1HG   MET  20          2HG       MET  20   0.768   1.440   8.179
  161   2HG   MET  20          1HG       MET  20   0.959   0.186   6.956
  162   1HE   MET  20          1HE       MET  20   2.940  -1.489   7.321
  163   2HE   MET  20          2HE       MET  20   2.109  -1.163   8.842
  164   3HE   MET  20          3HE       MET  20   3.870  -1.234   8.798
  165    H    THR  21           H        THR  21  -1.593   4.340   4.904
  166    HA   THR  21           HA       THR  21  -1.883   5.541   7.555
  167    HB   THR  21           HB       THR  21  -1.022   6.684   5.029
  168    HG1  THR  21           1HG      THR  21  -0.258   8.267   6.435
  169   1HG2  THR  21          1HG2      THR  21  -2.163   8.811   5.171
  170   2HG2  THR  21          2HG2      THR  21  -3.178   8.203   6.479
  171   3HG2  THR  21          3HG2      THR  21  -3.317   7.514   4.861
  172    H    HIS  22           H        HIS  22  -3.510   3.913   5.158
  173    HA   HIS  22           HA       HIS  22  -6.073   4.853   6.206
  174   1HB   HIS  22          2HB       HIS  22  -7.051   4.921   3.928
  175   2HB   HIS  22          1HB       HIS  22  -5.823   6.150   4.193
  176    HD1  HIS  22           1HD      HIS  22  -5.203   6.429   1.762
  177    HD2  HIS  22           2HD      HIS  22  -4.847   2.486   3.049
  178    HE1  HIS  22           1HE      HIS  22  -4.016   5.212  -0.088
  179    HE2  HIS  22           2HE      HIS  22  -3.594   2.917   0.845
  180    H    CYS  23           H        CYS  23  -4.132   2.322   4.914
  181    HA   CYS  23           HA       CYS  23  -6.419   0.506   4.865
  182   1HB   CYS  23          2HB       CYS  23  -3.863   0.740   3.422
  183   2HB   CYS  23          1HB       CYS  23  -4.344  -0.891   3.833
  184    H    GLN  24           H        GLN  24  -5.978  -1.724   5.659
  185    HA   GLN  24           HA       GLN  24  -4.817  -1.598   8.296
  186   1HB   GLN  24          2HB       GLN  24  -5.690  -3.873   8.557
  187   2HB   GLN  24          1HB       GLN  24  -6.925  -2.785   7.938
  188   1HG   GLN  24          2HG       GLN  24  -6.761  -3.686   5.759
  189   2HG   GLN  24          1HG       GLN  24  -5.287  -4.567   6.161
  190   1HE2  GLN  24          1HE2      GLN  24  -8.571  -4.801   5.785
  191   2HE2  GLN  24          2HE2      GLN  24  -8.841  -6.285   6.627
  192    H    ALA  25           H        ALA  25  -3.001  -2.612   9.026
  193    HA   ALA  25           HA       ALA  25  -1.577  -4.604   7.627
  194   1HB   ALA  25          1HB       ALA  25  -0.880  -1.792   7.024
  195   2HB   ALA  25          2HB       ALA  25  -0.727  -3.239   6.028
  196   3HB   ALA  25          3HB       ALA  25   0.458  -2.909   7.292
  197    H    GLY  26           H        GLY  26  -0.654  -5.694   9.225
  198   1HA   GLY  26          2HA       GLY  26   0.183  -4.221  11.633
  199   2HA   GLY  26          1HA       GLY  26  -0.216  -5.932  11.575
  200    H    LYS  27           H        LYS  27   1.805  -4.412   9.167
  201    HA   LYS  27           HA       LYS  27   4.273  -5.171  10.440
  202   1HB   LYS  27          2HB       LYS  27   3.032  -6.847   8.316
  203   2HB   LYS  27          1HB       LYS  27   4.770  -6.590   8.237
  204   1HG   LYS  27          2HG       LYS  27   4.564  -7.270  10.810
  205   2HG   LYS  27          1HG       LYS  27   3.163  -8.135  10.174
  206   1HD   LYS  27          2HD       LYS  27   4.555  -9.283   8.564
  207   2HD   LYS  27          1HD       LYS  27   5.963  -8.348   9.071
  208   1HE   LYS  27          2HE       LYS  27   5.204  -9.378  11.439
  209   2HE   LYS  27          1HE       LYS  27   4.647 -10.655  10.358
  210   1HZ   LYS  27          1HZ       LYS  27   6.756 -11.358  10.616
  211   2HZ   LYS  27          2HZ       LYS  27   7.355  -9.826  11.010
  212   3HZ   LYS  27          3HZ       LYS  27   7.081 -10.236   9.392
  Start of MODEL    9
    1   1H    GLU   1          1HT       GLU   1   0.588  -3.877   3.540
    2   2H    GLU   1          2HT       GLU   1   0.896  -2.265   4.044
    3   3H    GLU   1          3HT       GLU   1   1.997  -3.519   4.449
    4    HA   GLU   1           HA       GLU   1   2.639  -2.005   2.596
    5   1HB   GLU   1          2HB       GLU   1   2.496  -5.010   2.413
    6   2HB   GLU   1          1HB       GLU   1   3.358  -4.055   1.214
    7   1HG   GLU   1          2HG       GLU   1   4.820  -3.169   2.930
    8   2HG   GLU   1          1HG       GLU   1   3.926  -4.047   4.170
    9    H    VAL   2           H        VAL   2   2.163  -1.176   0.665
   10    HA   VAL   2           HA       VAL   2  -0.445  -1.327  -0.357
   11    HB   VAL   2           HB       VAL   2   1.143   0.584  -0.653
   12   1HG1  VAL   2          1HG1      VAL   2   3.020  -1.001  -1.415
   13   2HG1  VAL   2          2HG1      VAL   2   2.869   0.564  -2.213
   14   3HG1  VAL   2          3HG1      VAL   2   2.267  -0.891  -3.006
   15   1HG2  VAL   2          1HG2      VAL   2   0.361   0.045  -3.416
   16   2HG2  VAL   2          2HG2      VAL   2  -0.149   1.332  -2.323
   17   3HG2  VAL   2          3HG2      VAL   2  -0.926  -0.249  -2.245
   18    H    ARG   3           H        ARG   3   2.544  -2.939  -1.306
   19    HA   ARG   3           HA       ARG   3   1.702  -4.040  -3.728
   20   1HB   ARG   3          2HB       ARG   3   4.023  -4.072  -2.374
   21   2HB   ARG   3          1HB       ARG   3   3.459  -5.695  -2.002
   22   1HG   ARG   3          2HG       ARG   3   3.357  -4.834  -4.834
   23   2HG   ARG   3          1HG       ARG   3   4.943  -5.154  -4.130
   24   1HD   ARG   3          2HD       ARG   3   2.687  -7.107  -3.840
   25   2HD   ARG   3          1HD       ARG   3   3.700  -7.090  -5.283
   26    HE   ARG   3           HE       ARG   3   4.379  -8.163  -2.750
   27   1HH1  ARG   3          1HH1      ARG   3   5.745  -6.450  -5.467
   28   2HH1  ARG   3          2HH1      ARG   3   7.345  -7.059  -5.206
   29   1HH2  ARG   3          1HH2      ARG   3   6.483  -8.965  -2.406
   30   2HH2  ARG   3          2HH2      ARG   3   7.764  -8.487  -3.469
   31    H    ALA   4           H        ALA   4   0.979  -4.940  -0.449
   32    HA   ALA   4           HA       ALA   4  -0.235  -7.455  -1.318
   33   1HB   ALA   4          1HB       ALA   4   0.923  -7.958   0.582
   34   2HB   ALA   4          2HB       ALA   4  -0.642  -7.556   1.288
   35   3HB   ALA   4          3HB       ALA   4   0.661  -6.367   1.297
   36    H    CYS   5           H        CYS   5  -1.192  -4.353  -1.242
   37    HA   CYS   5           HA       CYS   5  -3.713  -4.569   0.090
   38   1HB   CYS   5          2HB       CYS   5  -2.410  -2.424  -0.333
   39   2HB   CYS   5          1HB       CYS   5  -2.985  -2.516  -1.992
   40    H    SER   6           H        SER   6  -5.798  -4.286  -1.022
   41    HA   SER   6           HA       SER   6  -5.832  -5.710  -3.599
   42   1HB   SER   6          2HB       SER   6  -8.033  -5.619  -1.523
   43   2HB   SER   6          1HB       SER   6  -8.011  -6.591  -2.994
   44    HG   SER   6           HG       SER   6  -7.232  -7.407  -0.716
   45    H    LEU   7           H        LEU   7  -5.784  -2.712  -2.775
   46    HA   LEU   7           HA       LEU   7  -8.217  -1.881  -4.199
   47   1HB   LEU   7          2HB       LEU   7  -6.321  -0.240  -2.518
   48   2HB   LEU   7          1HB       LEU   7  -7.783   0.352  -3.280
   49    HG   LEU   7           HG       LEU   7  -8.166  -1.950  -1.479
   50   1HD1  LEU   7          1HD1      LEU   7  -7.346  -1.110   0.407
   51   2HD1  LEU   7          2HD1      LEU   7  -8.072   0.467   0.097
   52   3HD1  LEU   7          3HD1      LEU   7  -6.489   0.078  -0.574
   53   1HD2  LEU   7          1HD2      LEU   7 -10.165  -0.811  -0.923
   54   2HD2  LEU   7          2HD2      LEU   7  -9.949  -0.616  -2.663
   55   3HD2  LEU   7          3HD2      LEU   7  -9.560   0.714  -1.571
   56    HA   PRO   8           HA       PRO   8  -5.676  -0.703  -7.641
   57   1HB   PRO   8          2HB       PRO   8  -7.468   0.669  -9.074
   58   2HB   PRO   8          1HB       PRO   8  -7.637  -1.073  -8.822
   59   1HG   PRO   8          2HG       PRO   8  -9.038   1.186  -7.450
   60   2HG   PRO   8          1HG       PRO   8  -9.692  -0.364  -8.008
   61   1HD   PRO   8          2HD       PRO   8  -8.966   0.185  -5.401
   62   2HD   PRO   8          1HD       PRO   8  -9.066  -1.443  -6.097
   63    H    HIS   9           H        HIS   9  -6.571   1.378  -5.224
   64    HA   HIS   9           HA       HIS   9  -5.708   3.825  -6.553
   65   1HB   HIS   9          2HB       HIS   9  -7.666   3.786  -4.966
   66   2HB   HIS   9          1HB       HIS   9  -6.525   3.449  -3.666
   67    HD1  HIS   9           1HD      HIS   9  -8.133   6.190  -5.365
   68    HD2  HIS   9           2HD      HIS   9  -4.502   5.606  -3.429
   69    HE1  HIS   9           1HE      HIS   9  -7.275   8.494  -4.836
   70    HE2  HIS   9           2HE      HIS   9  -5.036   8.118  -3.743
   71    H    CYS  10           H        CYS  10  -4.774   1.760  -3.841
   72    HA   CYS  10           HA       CYS  10  -2.449   3.236  -3.159
   73   1HB   CYS  10          2HB       CYS  10  -2.819   0.312  -2.566
   74   2HB   CYS  10          1HB       CYS  10  -2.001   1.534  -1.599
   75    H    ARG  11           H        ARG  11  -3.079   0.542  -5.321
   76    HA   ARG  11           HA       ARG  11  -0.347  -0.106  -5.795
   77   1HB   ARG  11          2HB       ARG  11  -2.969  -0.881  -6.911
   78   2HB   ARG  11          1HB       ARG  11  -1.614  -1.011  -8.022
   79   1HG   ARG  11          2HG       ARG  11  -1.693  -2.269  -5.290
   80   2HG   ARG  11          1HG       ARG  11  -2.115  -3.100  -6.788
   81   1HD   ARG  11          2HD       ARG  11   0.527  -1.725  -6.548
   82   2HD   ARG  11          1HD       ARG  11   0.294  -3.303  -5.800
   83    HE   ARG  11           HE       ARG  11   0.140  -4.268  -7.903
   84   1HH1  ARG  11          1HH1      ARG  11   0.346  -0.790  -8.174
   85   2HH1  ARG  11          2HH1      ARG  11   0.676  -0.821  -9.873
   86   1HH2  ARG  11          1HH2      ARG  11   0.574  -4.303 -10.134
   87   2HH2  ARG  11          2HH2      ARG  11   0.805  -2.812 -10.985
   88    H    THR  12           H        THR  12   0.628   1.928  -6.193
   89    HA   THR  12           HA       THR  12   0.198   2.893  -8.937
   90    HB   THR  12           HB       THR  12   0.636   4.599  -6.480
   91    HG1  THR  12           1HG      THR  12  -1.563   4.303  -8.242
   92   1HG2  THR  12          1HG2      THR  12   1.323   5.190  -9.150
   93   2HG2  THR  12          2HG2      THR  12   1.317   6.267  -7.753
   94   3HG2  THR  12          3HG2      THR  12  -0.125   6.117  -8.757
   95    H    MET  13           H        MET  13   2.432   4.043  -6.440
   96    HA   MET  13           HA       MET  13   4.659   3.189  -8.163
   97   1HB   MET  13          2HB       MET  13   4.299   5.573  -6.372
   98   2HB   MET  13          1HB       MET  13   5.908   5.015  -6.810
   99   1HG   MET  13          2HG       MET  13   3.893   5.510  -8.949
  100   2HG   MET  13          1HG       MET  13   4.724   6.871  -8.199
  101   1HE   MET  13          1HE       MET  13   7.903   7.159  -9.099
  102   2HE   MET  13          2HE       MET  13   8.297   5.609  -8.355
  103   3HE   MET  13          3HE       MET  13   7.105   6.671  -7.604
  104    H    LYS  14           H        LYS  14   3.102   2.134  -5.568
  105    HA   LYS  14           HA       LYS  14   3.657   0.530  -4.048
  106   1HB   LYS  14          2HB       LYS  14   5.596  -0.609  -4.243
  107   2HB   LYS  14          1HB       LYS  14   5.796   0.359  -5.693
  108   1HG   LYS  14          2HG       LYS  14   6.968   2.021  -4.018
  109   2HG   LYS  14          1HG       LYS  14   7.183   0.548  -3.075
  110   1HD   LYS  14          2HD       LYS  14   7.976  -0.365  -5.456
  111   2HD   LYS  14          1HD       LYS  14   8.379   1.340  -5.668
  112   1HE   LYS  14          2HE       LYS  14  10.026   1.286  -4.108
  113   2HE   LYS  14          1HE       LYS  14   9.193   0.091  -3.114
  114   1HZ   LYS  14          1HZ       LYS  14  10.952  -0.323  -5.430
  115   2HZ   LYS  14          2HZ       LYS  14   9.753  -1.468  -5.097
  116   3HZ   LYS  14          3HZ       LYS  14  10.935  -1.121  -3.938
  117    H    ASN  15           H        ASN  15   3.570   3.527  -3.671
  118    HA   ASN  15           HA       ASN  15   5.314   4.218  -1.563
  119   1HB   ASN  15          2HB       ASN  15   3.572   6.028  -1.158
  120   2HB   ASN  15          1HB       ASN  15   4.307   6.002  -2.753
  121   1HD2  ASN  15          1HD2      ASN  15   3.001   6.019  -4.439
  122   2HD2  ASN  15          2HD2      ASN  15   1.309   5.671  -4.412
  123    H    VAL  16           H        VAL  16   5.091   2.200  -0.325
  124    HA   VAL  16           HA       VAL  16   2.836   1.242   0.912
  125    HB   VAL  16           HB       VAL  16   5.525   1.414   2.256
  126   1HG1  VAL  16          1HG1      VAL  16   3.026  -0.052   2.763
  127   2HG1  VAL  16          2HG1      VAL  16   4.300   0.443   3.877
  128   3HG1  VAL  16          3HG1      VAL  16   4.506  -1.003   2.889
  129   1HG2  VAL  16          1HG2      VAL  16   5.584  -1.008   1.153
  130   2HG2  VAL  16          2HG2      VAL  16   6.202   0.422   0.326
  131   3HG2  VAL  16          3HG2      VAL  16   4.592  -0.189  -0.054
  132    H    LEU  17           H        LEU  17   4.862   3.959   1.920
  133    HA   LEU  17           HA       LEU  17   3.740   4.396   4.435
  134   1HB   LEU  17          2HB       LEU  17   4.999   6.279   2.457
  135   2HB   LEU  17          1HB       LEU  17   4.478   6.798   4.047
  136    HG   LEU  17           HG       LEU  17   6.014   4.819   4.859
  137   1HD1  LEU  17          1HD1      LEU  17   8.077   5.057   3.178
  138   2HD1  LEU  17          2HD1      LEU  17   6.752   5.206   2.023
  139   3HD1  LEU  17          3HD1      LEU  17   6.874   3.774   3.046
  140   1HD2  LEU  17          1HD2      LEU  17   6.204   7.444   5.009
  141   2HD2  LEU  17          2HD2      LEU  17   7.529   7.181   3.875
  142   3HD2  LEU  17          3HD2      LEU  17   7.554   6.399   5.455
  143    H    ASN  18           H        ASN  18   2.685   5.342   1.257
  144    HA   ASN  18           HA       ASN  18   0.599   7.079   2.168
  145   1HB   ASN  18          2HB       ASN  18   1.806   6.436  -0.322
  146   2HB   ASN  18          1HB       ASN  18   0.083   6.117  -0.479
  147   1HD2  ASN  18          1HD2      ASN  18  -1.196   7.769  -0.912
  148   2HD2  ASN  18          2HD2      ASN  18  -0.777   9.438  -0.761
  149    H    HIS  19           H        HIS  19   0.892   3.697   1.399
  150    HA   HIS  19           HA       HIS  19  -1.937   3.221   1.328
  151   1HB   HIS  19          2HB       HIS  19  -0.840   1.668   0.020
  152   2HB   HIS  19          1HB       HIS  19   0.518   1.537   1.128
  153    HD2  HIS  19           2HD      HIS  19   0.418  -0.536   2.867
  154    HE1  HIS  19           1HE      HIS  19  -3.532  -1.741   1.977
  155    HE2  HIS  19           2HE      HIS  19  -1.470  -2.235   3.365
  156    H    MET  20           H        MET  20   0.635   2.139   3.560
  157    HA   MET  20           HA       MET  20  -1.022   1.067   5.508
  158   1HB   MET  20          2HB       MET  20   1.751   2.148   5.491
  159   2HB   MET  20          1HB       MET  20   0.995   1.862   7.053
  160   1HG   MET  20          2HG       MET  20   0.476  -0.477   6.168
  161   2HG   MET  20          1HG       MET  20   1.638  -0.112   4.894
  162   1HE   MET  20          1HE       MET  20   1.944  -2.435   6.129
  163   2HE   MET  20          2HE       MET  20   2.864  -2.652   7.618
  164   3HE   MET  20          3HE       MET  20   3.704  -2.314   6.105
  165    H    THR  21           H        THR  21  -0.430   4.376   4.747
  166    HA   THR  21           HA       THR  21  -1.107   5.491   7.260
  167    HB   THR  21           HB       THR  21  -0.446   6.447   4.598
  168    HG1  THR  21           1HG      THR  21   0.810   6.760   6.479
  169   1HG2  THR  21          1HG2      THR  21  -2.445   8.090   6.135
  170   2HG2  THR  21          2HG2      THR  21  -2.694   7.362   4.548
  171   3HG2  THR  21          3HG2      THR  21  -1.496   8.640   4.754
  172    H    HIS  22           H        HIS  22  -2.998   4.107   4.749
  173    HA   HIS  22           HA       HIS  22  -5.430   5.049   6.114
  174   1HB   HIS  22          2HB       HIS  22  -6.581   5.237   3.955
  175   2HB   HIS  22          1HB       HIS  22  -5.209   6.333   4.056
  176    HD1  HIS  22           1HD      HIS  22  -4.967   6.480   1.516
  177    HD2  HIS  22           2HD      HIS  22  -4.598   2.595   2.970
  178    HE1  HIS  22           1HE      HIS  22  -4.064   5.119  -0.394
  179    HE2  HIS  22           2HE      HIS  22  -3.612   2.862   0.612
  180    H    CYS  23           H        CYS  23  -3.642   2.416   5.026
  181    HA   CYS  23           HA       CYS  23  -6.018   0.705   4.992
  182   1HB   CYS  23          2HB       CYS  23  -3.541   0.831   3.410
  183   2HB   CYS  23          1HB       CYS  23  -4.044  -0.777   3.879
  184    H    GLN  24           H        GLN  24  -6.059  -1.114   6.266
  185    HA   GLN  24           HA       GLN  24  -3.994  -1.255   8.342
  186   1HB   GLN  24          2HB       GLN  24  -5.654  -2.599   9.597
  187   2HB   GLN  24          1HB       GLN  24  -6.248  -0.997   9.182
  188   1HG   GLN  24          2HG       GLN  24  -7.711  -1.820   7.574
  189   2HG   GLN  24          1HG       GLN  24  -6.863  -3.361   7.455
  190   1HE2  GLN  24          1HE2      GLN  24  -9.702  -2.490   8.119
  191   2HE2  GLN  24          2HE2      GLN  24 -10.081  -3.378   9.551
  192    H    ALA  25           H        ALA  25  -3.834  -3.630   9.251
  193    HA   ALA  25           HA       ALA  25  -3.370  -5.861   8.938
  194   1HB   ALA  25          1HB       ALA  25  -4.017  -7.038   7.060
  195   2HB   ALA  25          2HB       ALA  25  -3.737  -5.674   5.977
  196   3HB   ALA  25          3HB       ALA  25  -5.143  -5.680   7.042
  197    H    GLY  26           H        GLY  26  -1.499  -3.712   8.922
  198   1HA   GLY  26          2HA       GLY  26   0.470  -4.267   6.881
  199   2HA   GLY  26          1HA       GLY  26   0.644  -3.149   8.226
  200    H    LYS  27           H        LYS  27   1.664  -3.800  10.067
  201    HA   LYS  27           HA       LYS  27   2.214  -6.590  10.560
  202   1HB   LYS  27          2HB       LYS  27   3.977  -5.476   8.894
  203   2HB   LYS  27          1HB       LYS  27   4.672  -4.921  10.411
  204   1HG   LYS  27          2HG       LYS  27   4.563  -7.364  11.148
  205   2HG   LYS  27          1HG       LYS  27   4.294  -7.731   9.443
  206   1HD   LYS  27          2HD       LYS  27   6.388  -6.588   8.874
  207   2HD   LYS  27          1HD       LYS  27   6.657  -6.237  10.583
  208   1HE   LYS  27          2HE       LYS  27   6.482  -8.777  10.921
  209   2HE   LYS  27          1HE       LYS  27   6.702  -8.886   9.175
  210   1HZ   LYS  27          1HZ       LYS  27   8.596  -7.997  11.234
  211   2HZ   LYS  27          2HZ       LYS  27   8.727  -7.353   9.676
  212   3HZ   LYS  27          3HZ       LYS  27   8.848  -9.023   9.912
  Start of MODEL   10
    1   1H    GLU   1          1HT       GLU   1   0.074  -4.072   3.386
    2   2H    GLU   1          2HT       GLU   1   0.477  -2.470   3.851
    3   3H    GLU   1          3HT       GLU   1   1.439  -3.788   4.383
    4    HA   GLU   1           HA       GLU   1   2.340  -2.416   2.533
    5   1HB   GLU   1          2HB       GLU   1   1.975  -5.392   2.559
    6   2HB   GLU   1          1HB       GLU   1   2.865  -4.641   1.242
    7   1HG   GLU   1          2HG       GLU   1   4.330  -3.571   2.969
    8   2HG   GLU   1          1HG       GLU   1   3.524  -4.575   4.173
    9    H    VAL   2           H        VAL   2   2.091  -1.640   0.535
   10    HA   VAL   2           HA       VAL   2  -0.454  -1.626  -0.672
   11    HB   VAL   2           HB       VAL   2   1.265   0.178  -0.874
   12   1HG1  VAL   2          1HG1      VAL   2   2.519  -1.094  -3.206
   13   2HG1  VAL   2          2HG1      VAL   2   2.967  -1.782  -1.645
   14   3HG1  VAL   2          3HG1      VAL   2   3.219  -0.065  -1.957
   15   1HG2  VAL   2          1HG2      VAL   2  -0.735  -0.488  -2.561
   16   2HG2  VAL   2          2HG2      VAL   2   0.632  -0.478  -3.675
   17   3HG2  VAL   2          3HG2      VAL   2   0.253   0.963  -2.731
   18    H    ARG   3           H        ARG   3   2.380  -3.606  -1.153
   19    HA   ARG   3           HA       ARG   3   1.715  -4.655  -3.688
   20   1HB   ARG   3          2HB       ARG   3   3.566  -5.406  -1.485
   21   2HB   ARG   3          1HB       ARG   3   3.175  -6.647  -2.667
   22   1HG   ARG   3          2HG       ARG   3   4.205  -5.524  -4.391
   23   2HG   ARG   3          1HG       ARG   3   4.048  -3.953  -3.601
   24   1HD   ARG   3          2HD       ARG   3   5.927  -4.236  -2.363
   25   2HD   ARG   3          1HD       ARG   3   5.696  -5.977  -2.213
   26    HE   ARG   3           HE       ARG   3   7.211  -4.599  -4.220
   27   1HH1  ARG   3          1HH1      ARG   3   5.412  -7.504  -3.511
   28   2HH1  ARG   3          2HH1      ARG   3   6.246  -8.459  -4.690
   29   1HH2  ARG   3          1HH2      ARG   3   8.309  -5.853  -5.773
   30   2HH2  ARG   3          2HH2      ARG   3   7.891  -7.522  -5.975
   31    H    ALA   4           H        ALA   4   0.639  -5.395  -0.466
   32    HA   ALA   4           HA       ALA   4  -0.689  -7.833  -1.388
   33   1HB   ALA   4          1HB       ALA   4  -0.684  -8.576   0.752
   34   2HB   ALA   4          2HB       ALA   4  -0.943  -6.969   1.428
   35   3HB   ALA   4          3HB       ALA   4   0.663  -7.444   0.876
   36    H    CYS   5           H        CYS   5  -1.402  -4.658  -1.417
   37    HA   CYS   5           HA       CYS   5  -4.036  -4.671  -0.304
   38   1HB   CYS   5          2HB       CYS   5  -2.539  -2.631  -0.629
   39   2HB   CYS   5          1HB       CYS   5  -2.996  -2.693  -2.325
   40    H    SER   6           H        SER   6  -5.990  -4.246  -1.577
   41    HA   SER   6           HA       SER   6  -5.906  -5.591  -4.197
   42   1HB   SER   6          2HB       SER   6  -8.384  -6.132  -3.604
   43   2HB   SER   6          1HB       SER   6  -7.103  -7.089  -2.860
   44    HG   SER   6           HG       SER   6  -8.893  -5.350  -1.717
   45    H    LEU   7           H        LEU   7  -5.827  -2.659  -3.262
   46    HA   LEU   7           HA       LEU   7  -8.217  -1.705  -4.685
   47   1HB   LEU   7          2HB       LEU   7  -6.304  -0.188  -2.909
   48   2HB   LEU   7          1HB       LEU   7  -7.733   0.478  -3.672
   49    HG   LEU   7           HG       LEU   7  -8.209  -1.882  -1.968
   50   1HD1  LEU   7          1HD1      LEU   7  -7.218  -1.155  -0.125
   51   2HD1  LEU   7          2HD1      LEU   7  -8.186   0.317  -0.198
   52   3HD1  LEU   7          3HD1      LEU   7  -6.607   0.260  -0.981
   53   1HD2  LEU   7          1HD2      LEU   7  -9.545   0.812  -1.983
   54   2HD2  LEU   7          2HD2      LEU   7 -10.197  -0.727  -1.420
   55   3HD2  LEU   7          3HD2      LEU   7  -9.934  -0.458  -3.143
   56    HA   PRO   8           HA       PRO   8  -5.627  -0.469  -8.066
   57   1HB   PRO   8          2HB       PRO   8  -7.337   1.102  -9.400
   58   2HB   PRO   8          1HB       PRO   8  -7.594  -0.642  -9.275
   59   1HG   PRO   8          2HG       PRO   8  -8.877   1.577  -7.733
   60   2HG   PRO   8          1HG       PRO   8  -9.615   0.117  -8.416
   61   1HD   PRO   8          2HD       PRO   8  -8.899   0.396  -5.776
   62   2HD   PRO   8          1HD       PRO   8  -9.030  -1.163  -6.614
   63    H    HIS   9           H        HIS   9  -6.704   1.655  -5.647
   64    HA   HIS   9           HA       HIS   9  -5.611   4.075  -6.773
   65   1HB   HIS   9          2HB       HIS   9  -7.558   3.987  -5.152
   66   2HB   HIS   9          1HB       HIS   9  -6.393   3.569  -3.898
   67    HD1  HIS   9           1HD      HIS   9  -7.959   6.418  -5.475
   68    HD2  HIS   9           2HD      HIS   9  -4.343   5.668  -3.570
   69    HE1  HIS   9           1HE      HIS   9  -7.046   8.678  -4.854
   70    HE2  HIS   9           2HE      HIS   9  -4.900   8.195  -3.625
   71    H    CYS  10           H        CYS  10  -4.785   1.903  -4.101
   72    HA   CYS  10           HA       CYS  10  -2.374   3.193  -3.405
   73   1HB   CYS  10          2HB       CYS  10  -2.912   0.267  -2.953
   74   2HB   CYS  10          1HB       CYS  10  -1.990   1.378  -1.947
   75    H    ARG  11           H        ARG  11  -3.189   0.883  -5.862
   76    HA   ARG  11           HA       ARG  11  -0.534  -0.057  -6.335
   77   1HB   ARG  11          2HB       ARG  11  -2.589  -1.297  -7.002
   78   2HB   ARG  11          1HB       ARG  11  -2.899  -0.065  -8.218
   79   1HG   ARG  11          2HG       ARG  11  -0.429  -0.708  -8.946
   80   2HG   ARG  11          1HG       ARG  11  -0.881  -2.231  -8.177
   81   1HD   ARG  11          2HD       ARG  11  -2.620  -2.613  -9.677
   82   2HD   ARG  11          1HD       ARG  11  -2.701  -0.919 -10.161
   83    HE   ARG  11           HE       ARG  11  -1.145  -1.365 -11.764
   84   1HH1  ARG  11          1HH1      ARG  11  -0.954  -3.862  -9.333
   85   2HH1  ARG  11          2HH1      ARG  11   0.207  -4.800 -10.209
   86   1HH2  ARG  11          1HH2      ARG  11   0.383  -2.599 -12.918
   87   2HH2  ARG  11          2HH2      ARG  11   0.967  -4.084 -12.244
   88    H    THR  12           H        THR  12   0.693   1.872  -6.437
   89    HA   THR  12           HA       THR  12   0.647   3.110  -9.084
   90    HB   THR  12           HB       THR  12   0.663   4.647  -6.480
   91    HG1  THR  12           1HG      THR  12  -1.350   5.059  -6.905
   92   1HG2  THR  12          1HG2      THR  12   0.338   6.500  -8.451
   93   2HG2  THR  12          2HG2      THR  12   1.548   5.424  -9.149
   94   3HG2  THR  12          3HG2      THR  12   1.841   6.183  -7.584
   95    H    MET  13           H        MET  13   2.483   4.422  -6.413
   96    HA   MET  13           HA       MET  13   4.936   3.438  -7.678
   97   1HB   MET  13          2HB       MET  13   4.479   5.700  -5.722
   98   2HB   MET  13          1HB       MET  13   6.055   5.214  -6.330
   99   1HG   MET  13          2HG       MET  13   4.758   5.576  -8.653
  100   2HG   MET  13          1HG       MET  13   3.903   6.736  -7.638
  101   1HE   MET  13          1HE       MET  13   7.255   6.843 -10.015
  102   2HE   MET  13          2HE       MET  13   6.423   8.396 -10.077
  103   3HE   MET  13          3HE       MET  13   5.501   6.897 -10.188
  104    H    LYS  14           H        LYS  14   3.071   2.014  -5.768
  105    HA   LYS  14           HA       LYS  14   3.155   0.635  -3.978
  106   1HB   LYS  14          2HB       LYS  14   5.104  -0.701  -3.733
  107   2HB   LYS  14          1HB       LYS  14   4.972  -0.309  -5.439
  108   1HG   LYS  14          2HG       LYS  14   6.803   1.097  -5.394
  109   2HG   LYS  14          1HG       LYS  14   6.689   1.361  -3.654
  110   1HD   LYS  14          2HD       LYS  14   7.115  -1.296  -3.696
  111   2HD   LYS  14          1HD       LYS  14   7.971  -0.828  -5.166
  112   1HE   LYS  14          2HE       LYS  14   9.301   0.768  -3.917
  113   2HE   LYS  14          1HE       LYS  14   8.400   0.403  -2.446
  114   1HZ   LYS  14          1HZ       LYS  14  10.397  -1.233  -3.852
  115   2HZ   LYS  14          2HZ       LYS  14   9.209  -1.997  -2.922
  116   3HZ   LYS  14          3HZ       LYS  14  10.263  -0.889  -2.201
  117    H    ASN  15           H        ASN  15   3.340   3.461  -3.440
  118    HA   ASN  15           HA       ASN  15   5.230   3.968  -1.394
  119   1HB   ASN  15          2HB       ASN  15   3.618   5.873  -0.854
  120   2HB   ASN  15          1HB       ASN  15   4.317   5.867  -2.465
  121   1HD2  ASN  15          1HD2      ASN  15   2.866   6.608  -3.828
  122   2HD2  ASN  15          2HD2      ASN  15   1.200   6.154  -3.889
  123    H    VAL  16           H        VAL  16   4.917   1.926  -0.222
  124    HA   VAL  16           HA       VAL  16   2.700   1.000   1.048
  125    HB   VAL  16           HB       VAL  16   5.390   1.157   2.391
  126   1HG1  VAL  16          1HG1      VAL  16   2.910  -0.411   2.825
  127   2HG1  VAL  16          2HG1      VAL  16   4.061   0.236   3.994
  128   3HG1  VAL  16          3HG1      VAL  16   4.453  -1.224   3.086
  129   1HG2  VAL  16          1HG2      VAL  16   5.551  -1.209   1.291
  130   2HG2  VAL  16          2HG2      VAL  16   5.986   0.230   0.370
  131   3HG2  VAL  16          3HG2      VAL  16   4.411  -0.526   0.131
  132    H    LEU  17           H        LEU  17   4.740   3.689   2.124
  133    HA   LEU  17           HA       LEU  17   3.559   4.081   4.627
  134   1HB   LEU  17          2HB       LEU  17   5.059   5.841   2.738
  135   2HB   LEU  17          1HB       LEU  17   4.294   6.552   4.145
  136    HG   LEU  17           HG       LEU  17   6.168   4.226   4.435
  137   1HD1  LEU  17          1HD1      LEU  17   7.982   5.831   4.824
  138   2HD1  LEU  17          2HD1      LEU  17   6.920   7.142   4.311
  139   3HD1  LEU  17          3HD1      LEU  17   7.391   5.889   3.163
  140   1HD2  LEU  17          1HD2      LEU  17   4.926   6.274   6.195
  141   2HD2  LEU  17          2HD2      LEU  17   6.534   5.681   6.608
  142   3HD2  LEU  17          3HD2      LEU  17   5.187   4.552   6.470
  143    H    ASN  18           H        ASN  18   2.631   5.136   1.443
  144    HA   ASN  18           HA       ASN  18   0.537   6.875   2.338
  145   1HB   ASN  18          2HB       ASN  18   1.831   6.316  -0.124
  146   2HB   ASN  18          1HB       ASN  18   0.115   6.010  -0.361
  147   1HD2  ASN  18          1HD2      ASN  18   2.518   8.391   0.457
  148   2HD2  ASN  18          2HD2      ASN  18   1.519   9.777   0.204
  149    H    HIS  19           H        HIS  19   0.802   3.542   1.327
  150    HA   HIS  19           HA       HIS  19  -2.014   3.086   1.176
  151   1HB   HIS  19          2HB       HIS  19  -0.876   1.578  -0.151
  152   2HB   HIS  19          1HB       HIS  19   0.438   1.394   1.001
  153    HD2  HIS  19           2HD      HIS  19   0.265  -0.743   2.650
  154    HE1  HIS  19           1HE      HIS  19  -3.661  -1.881   1.584
  155    HE2  HIS  19           2HE      HIS  19  -1.521  -2.617   2.736
  156    H    MET  20           H        MET  20   0.457   1.873   3.455
  157    HA   MET  20           HA       MET  20  -1.288   0.745   5.291
  158   1HB   MET  20          2HB       MET  20   1.498   1.793   5.439
  159   2HB   MET  20          1HB       MET  20   0.675   1.417   6.946
  160   1HG   MET  20          2HG       MET  20   0.148  -0.832   5.627
  161   2HG   MET  20          1HG       MET  20   1.640  -0.379   4.806
  162   1HE   MET  20          1HE       MET  20   3.091  -1.829   5.171
  163   2HE   MET  20          2HE       MET  20   3.456  -2.762   6.623
  164   3HE   MET  20          3HE       MET  20   4.259  -1.217   6.342
  165    H    THR  21           H        THR  21  -0.614   4.074   4.701
  166    HA   THR  21           HA       THR  21  -1.354   5.098   7.230
  167    HB   THR  21           HB       THR  21  -0.623   6.148   4.622
  168    HG1  THR  21           1HG      THR  21   0.298   7.728   5.937
  169   1HG2  THR  21          1HG2      THR  21  -2.629   7.766   6.178
  170   2HG2  THR  21          2HG2      THR  21  -2.874   7.077   4.573
  171   3HG2  THR  21          3HG2      THR  21  -1.662   8.334   4.817
  172    H    HIS  22           H        HIS  22  -3.192   3.848   4.609
  173    HA   HIS  22           HA       HIS  22  -5.651   4.747   5.955
  174   1HB   HIS  22          2HB       HIS  22  -6.746   5.015   3.768
  175   2HB   HIS  22          1HB       HIS  22  -5.384   6.111   3.962
  176    HD1  HIS  22           1HD      HIS  22  -5.008   6.382   1.461
  177    HD2  HIS  22           2HD      HIS  22  -4.770   2.418   2.714
  178    HE1  HIS  22           1HE      HIS  22  -4.050   5.108  -0.483
  179    HE2  HIS  22           2HE      HIS  22  -3.686   2.789   0.413
  180    H    CYS  23           H        CYS  23  -3.859   2.156   4.737
  181    HA   CYS  23           HA       CYS  23  -6.241   0.462   4.588
  182   1HB   CYS  23          2HB       CYS  23  -3.703   0.626   3.108
  183   2HB   CYS  23          1HB       CYS  23  -4.235  -0.995   3.494
  184    H    GLN  24           H        GLN  24  -3.112   0.914   6.082
  185    HA   GLN  24           HA       GLN  24  -1.968  -0.228   7.693
  186   1HB   GLN  24          2HB       GLN  24  -3.223  -0.649   9.695
  187   2HB   GLN  24          1HB       GLN  24  -3.873   0.796   8.935
  188   1HG   GLN  24          2HG       GLN  24  -5.792  -0.353   8.174
  189   2HG   GLN  24          1HG       GLN  24  -5.092  -1.923   8.566
  190   1HE2  GLN  24          1HE2      GLN  24  -7.190  -2.136   9.683
  191   2HE2  GLN  24          2HE2      GLN  24  -7.307  -1.568  11.310
  192    H    ALA  25           H        ALA  25  -2.444  -2.407   9.247
  193    HA   ALA  25           HA       ALA  25  -2.682  -4.693   9.315
  194   1HB   ALA  25          1HB       ALA  25  -4.507  -4.235   7.476
  195   2HB   ALA  25          2HB       ALA  25  -3.904  -5.865   7.774
  196   3HB   ALA  25          3HB       ALA  25  -3.288  -4.933   6.410
  197    H    GLY  26           H        GLY  26  -0.358  -4.378   9.608
  198   1HA   GLY  26          2HA       GLY  26   1.111  -5.790   7.504
  199   2HA   GLY  26          1HA       GLY  26   1.718  -4.221   8.012
  200    H    LYS  27           H        LYS  27   2.067  -4.003  10.427
  201    HA   LYS  27           HA       LYS  27   2.465  -6.324  12.007
  202   1HB   LYS  27          2HB       LYS  27   4.414  -6.150  10.169
  203   2HB   LYS  27          1HB       LYS  27   5.102  -5.101  11.402
  204   1HG   LYS  27          2HG       LYS  27   5.433  -6.805  12.869
  205   2HG   LYS  27          1HG       LYS  27   4.061  -7.738  12.267
  206   1HD   LYS  27          2HD       LYS  27   5.667  -7.764  10.093
  207   2HD   LYS  27          1HD       LYS  27   6.872  -7.709  11.381
  208   1HE   LYS  27          2HE       LYS  27   4.609  -9.697  11.241
  209   2HE   LYS  27          1HE       LYS  27   6.249 -10.013  10.675
  210   1HZ   LYS  27          1HZ       LYS  27   5.423 -10.597  13.121
  211   2HZ   LYS  27          2HZ       LYS  27   5.993  -9.029  13.401
  212   3HZ   LYS  27          3HZ       LYS  27   7.030 -10.205  12.766
  Start of MODEL   11
    1   1H    GLU   1          1HT       GLU   1   2.156  -3.412   4.273
    2   2H    GLU   1          2HT       GLU   1   0.887  -4.114   3.355
    3   3H    GLU   1          3HT       GLU   1   0.885  -2.428   3.678
    4    HA   GLU   1           HA       GLU   1   2.850  -2.144   2.386
    5   1HB   GLU   1          2HB       GLU   1   2.629  -5.131   2.287
    6   2HB   GLU   1          1HB       GLU   1   3.387  -4.279   0.949
    7   1HG   GLU   1          2HG       GLU   1   5.258  -4.530   2.139
    8   2HG   GLU   1          1HG       GLU   1   4.654  -3.154   3.061
    9    H    VAL   2           H        VAL   2   2.460  -1.303   0.432
   10    HA   VAL   2           HA       VAL   2  -0.158  -1.334  -0.610
   11    HB   VAL   2           HB       VAL   2   1.480   0.539  -0.842
   12   1HG1  VAL   2          1HG1      VAL   2   2.620  -0.661  -3.288
   13   2HG1  VAL   2          2HG1      VAL   2   3.228  -1.275  -1.751
   14   3HG1  VAL   2          3HG1      VAL   2   3.342   0.445  -2.119
   15   1HG2  VAL   2          1HG2      VAL   2  -0.588  -0.169  -2.457
   16   2HG2  VAL   2          2HG2      VAL   2   0.718   0.020  -3.628
   17   3HG2  VAL   2          3HG2      VAL   2   0.288   1.358  -2.562
   18    H    ARG   3           H        ARG   3   2.720  -3.162  -1.380
   19    HA   ARG   3           HA       ARG   3   1.869  -4.154  -3.893
   20   1HB   ARG   3          2HB       ARG   3   3.972  -4.897  -1.911
   21   2HB   ARG   3          1HB       ARG   3   3.560  -6.062  -3.162
   22   1HG   ARG   3          2HG       ARG   3   4.049  -3.304  -4.079
   23   2HG   ARG   3          1HG       ARG   3   5.445  -4.175  -3.440
   24   1HD   ARG   3          2HD       ARG   3   4.347  -6.074  -5.023
   25   2HD   ARG   3          1HD       ARG   3   3.896  -4.616  -5.905
   26    HE   ARG   3           HE       ARG   3   6.095  -4.315  -6.474
   27   1HH1  ARG   3          1HH1      ARG   3   5.897  -6.672  -3.908
   28   2HH1  ARG   3          2HH1      ARG   3   7.569  -7.112  -4.014
   29   1HH2  ARG   3          1HH2      ARG   3   8.293  -4.892  -6.615
   30   2HH2  ARG   3          2HH2      ARG   3   8.929  -6.101  -5.550
   31    H    ALA   4           H        ALA   4   1.204  -5.076  -0.606
   32    HA   ALA   4           HA       ALA   4  -0.041  -7.577  -1.465
   33   1HB   ALA   4          1HB       ALA   4   1.489  -7.191   0.647
   34   2HB   ALA   4          2HB       ALA   4   0.144  -8.332   0.681
   35   3HB   ALA   4          3HB       ALA   4  -0.045  -6.724   1.381
   36    H    CYS   5           H        CYS   5  -0.995  -4.485  -1.426
   37    HA   CYS   5           HA       CYS   5  -3.492  -4.666  -0.045
   38   1HB   CYS   5          2HB       CYS   5  -2.195  -2.533  -0.544
   39   2HB   CYS   5          1HB       CYS   5  -2.802  -2.663  -2.187
   40    H    SER   6           H        SER   6  -5.595  -4.401  -1.121
   41    HA   SER   6           HA       SER   6  -5.677  -5.794  -3.715
   42   1HB   SER   6          2HB       SER   6  -7.216  -6.220  -1.211
   43   2HB   SER   6          1HB       SER   6  -8.114  -6.354  -2.723
   44    HG   SER   6           HG       SER   6  -6.849  -8.021  -3.342
   45    H    LEU   7           H        LEU   7  -5.720  -2.845  -2.858
   46    HA   LEU   7           HA       LEU   7  -8.321  -2.109  -4.017
   47   1HB   LEU   7          2HB       LEU   7  -6.334  -0.449  -2.466
   48   2HB   LEU   7          1HB       LEU   7  -7.832   0.159  -3.142
   49    HG   LEU   7           HG       LEU   7  -8.179  -2.168  -1.388
   50   1HD1  LEU   7          1HD1      LEU   7  -6.946  -1.489   0.326
   51   2HD1  LEU   7          2HD1      LEU   7  -7.969  -0.057   0.433
   52   3HD1  LEU   7          3HD1      LEU   7  -6.486  -0.012  -0.520
   53   1HD2  LEU   7          1HD2      LEU   7  -9.435   0.568  -1.325
   54   2HD2  LEU   7          2HD2      LEU   7 -10.061  -0.922  -0.619
   55   3HD2  LEU   7          3HD2      LEU   7  -9.983  -0.741  -2.372
   56    HA   PRO   8           HA       PRO   8  -6.169  -0.721  -7.649
   57   1HB   PRO   8          2HB       PRO   8  -8.208   0.393  -8.953
   58   2HB   PRO   8          1HB       PRO   8  -8.180  -1.346  -8.634
   59   1HG   PRO   8          2HG       PRO   8  -9.710   0.811  -7.250
   60   2HG   PRO   8          1HG       PRO   8 -10.212  -0.841  -7.651
   61   1HD   PRO   8          2HD       PRO   8  -9.282   0.022  -5.163
   62   2HD   PRO   8          1HD       PRO   8  -9.380  -1.664  -5.702
   63    H    HIS   9           H        HIS   9  -5.711   0.958  -5.417
   64    HA   HIS   9           HA       HIS   9  -5.617   3.568  -6.746
   65   1HB   HIS   9          2HB       HIS   9  -7.540   3.501  -5.112
   66   2HB   HIS   9          1HB       HIS   9  -6.357   3.245  -3.832
   67    HD1  HIS   9           1HD      HIS   9  -8.099   5.874  -5.580
   68    HD2  HIS   9           2HD      HIS   9  -4.418   5.478  -3.693
   69    HE1  HIS   9           1HE      HIS   9  -7.317   8.223  -5.134
   70    HE2  HIS   9           2HE      HIS   9  -5.130   7.957  -3.912
   71    H    CYS  10           H        CYS  10  -4.574   1.637  -3.979
   72    HA   CYS  10           HA       CYS  10  -2.294   3.194  -3.366
   73   1HB   CYS  10          2HB       CYS  10  -2.528   0.268  -2.726
   74   2HB   CYS  10          1HB       CYS  10  -1.773   1.545  -1.780
   75    H    ARG  11           H        ARG  11  -2.831   0.417  -5.456
   76    HA   ARG  11           HA       ARG  11  -0.096  -0.144  -5.959
   77   1HB   ARG  11          2HB       ARG  11  -2.364  -0.722  -7.857
   78   2HB   ARG  11          1HB       ARG  11  -0.858  -1.609  -7.665
   79   1HG   ARG  11          2HG       ARG  11  -1.840  -1.901  -5.198
   80   2HG   ARG  11          1HG       ARG  11  -3.352  -1.736  -6.091
   81   1HD   ARG  11          2HD       ARG  11  -2.787  -4.066  -5.957
   82   2HD   ARG  11          1HD       ARG  11  -2.582  -3.528  -7.624
   83    HE   ARG  11           HE       ARG  11  -0.166  -3.408  -6.078
   84   1HH1  ARG  11          1HH1      ARG  11  -2.207  -5.462  -8.025
   85   2HH1  ARG  11          2HH1      ARG  11  -0.923  -6.542  -8.455
   86   1HH2  ARG  11          1HH2      ARG  11   1.524  -4.826  -6.642
   87   2HH2  ARG  11          2HH2      ARG  11   1.195  -6.181  -7.669
   88    H    THR  12           H        THR  12   0.833   1.912  -6.359
   89    HA   THR  12           HA       THR  12   0.382   2.863  -9.104
   90    HB   THR  12           HB       THR  12   0.776   4.579  -6.647
   91    HG1  THR  12           1HG      THR  12  -1.296   5.301  -7.130
   92   1HG2  THR  12          1HG2      THR  12  -0.006   6.052  -8.965
   93   2HG2  THR  12          2HG2      THR  12   1.501   5.192  -9.285
   94   3HG2  THR  12          3HG2      THR  12   1.385   6.286  -7.907
   95    H    MET  13           H        MET  13   2.586   4.098  -6.626
   96    HA   MET  13           HA       MET  13   4.834   3.293  -8.343
   97   1HB   MET  13          2HB       MET  13   4.746   5.507  -6.287
   98   2HB   MET  13          1HB       MET  13   6.083   5.144  -7.370
   99   1HG   MET  13          2HG       MET  13   4.202   5.507  -9.200
  100   2HG   MET  13          1HG       MET  13   3.504   6.492  -7.916
  101   1HE   MET  13          1HE       MET  13   4.227   7.473 -10.723
  102   2HE   MET  13          2HE       MET  13   5.264   8.893 -10.586
  103   3HE   MET  13          3HE       MET  13   3.793   8.779  -9.619
  104    H    LYS  14           H        LYS  14   3.292   2.129  -5.806
  105    HA   LYS  14           HA       LYS  14   3.862   0.537  -4.287
  106   1HB   LYS  14          2HB       LYS  14   5.835  -0.576  -4.448
  107   2HB   LYS  14          1HB       LYS  14   5.945   0.324  -5.949
  108   1HG   LYS  14          2HG       LYS  14   7.958   0.944  -5.232
  109   2HG   LYS  14          1HG       LYS  14   7.105   2.039  -4.144
  110   1HD   LYS  14          2HD       LYS  14   7.015  -0.260  -2.717
  111   2HD   LYS  14          1HD       LYS  14   8.544  -0.467  -3.574
  112   1HE   LYS  14          2HE       LYS  14   8.007   2.158  -2.290
  113   2HE   LYS  14          1HE       LYS  14   8.392   0.792  -1.244
  114   1HZ   LYS  14          1HZ       LYS  14  10.326   0.504  -2.972
  115   2HZ   LYS  14          2HZ       LYS  14  10.469   1.578  -1.673
  116   3HZ   LYS  14          3HZ       LYS  14  10.074   2.160  -3.211
  117    H    ASN  15           H        ASN  15   3.719   3.499  -3.849
  118    HA   ASN  15           HA       ASN  15   5.488   4.193  -1.758
  119   1HB   ASN  15          2HB       ASN  15   3.724   5.966  -1.300
  120   2HB   ASN  15          1HB       ASN  15   4.428   5.974  -2.910
  121   1HD2  ASN  15          1HD2      ASN  15   3.098   5.942  -4.583
  122   2HD2  ASN  15          2HD2      ASN  15   1.410   5.583  -4.521
  123    H    VAL  16           H        VAL  16   5.309   2.134  -0.565
  124    HA   VAL  16           HA       VAL  16   3.070   1.149   0.695
  125    HB   VAL  16           HB       VAL  16   5.796   1.252   1.969
  126   1HG1  VAL  16          1HG1      VAL  16   4.762  -1.178   2.542
  127   2HG1  VAL  16          2HG1      VAL  16   3.295  -0.200   2.498
  128   3HG1  VAL  16          3HG1      VAL  16   4.611   0.233   3.589
  129   1HG2  VAL  16          1HG2      VAL  16   5.915  -1.086   0.805
  130   2HG2  VAL  16          2HG2      VAL  16   6.337   0.374  -0.090
  131   3HG2  VAL  16          3HG2      VAL  16   4.752  -0.367  -0.308
  132    H    LEU  17           H        LEU  17   4.978   3.956   1.538
  133    HA   LEU  17           HA       LEU  17   3.990   4.288   4.165
  134   1HB   LEU  17          2HB       LEU  17   5.374   6.046   2.193
  135   2HB   LEU  17          1HB       LEU  17   4.646   6.777   3.611
  136    HG   LEU  17           HG       LEU  17   6.490   4.464   3.997
  137   1HD1  LEU  17          1HD1      LEU  17   8.436   5.694   3.757
  138   2HD1  LEU  17          2HD1      LEU  17   7.586   7.239   3.796
  139   3HD1  LEU  17          3HD1      LEU  17   7.480   6.209   2.368
  140   1HD2  LEU  17          1HD2      LEU  17   6.272   6.997   5.589
  141   2HD2  LEU  17          2HD2      LEU  17   6.848   5.411   6.102
  142   3HD2  LEU  17          3HD2      LEU  17   5.130   5.670   5.803
  143    H    ASN  18           H        ASN  18   2.867   5.307   1.032
  144    HA   ASN  18           HA       ASN  18   0.805   7.025   2.030
  145   1HB   ASN  18          2HB       ASN  18   1.951   6.425  -0.505
  146   2HB   ASN  18          1HB       ASN  18   0.219   6.144  -0.623
  147   1HD2  ASN  18          1HD2      ASN  18  -0.801   7.834  -1.384
  148   2HD2  ASN  18          2HD2      ASN  18  -0.437   9.489  -1.048
  149    H    HIS  19           H        HIS  19   1.074   3.667   1.154
  150    HA   HIS  19           HA       HIS  19  -1.736   3.168   1.074
  151   1HB   HIS  19          2HB       HIS  19  -0.608   1.602  -0.183
  152   2HB   HIS  19          1HB       HIS  19   0.739   1.513   0.941
  153    HD2  HIS  19           2HD      HIS  19   0.675  -0.556   2.676
  154    HE1  HIS  19           1HE      HIS  19  -3.260  -1.826   1.800
  155    HE2  HIS  19           2HE      HIS  19  -1.064  -2.464   2.904
  156    H    MET  20           H        MET  20   0.783   2.145   3.399
  157    HA   MET  20           HA       MET  20  -0.935   1.089   5.306
  158   1HB   MET  20          2HB       MET  20   1.825   2.235   5.424
  159   2HB   MET  20          1HB       MET  20   1.003   1.826   6.923
  160   1HG   MET  20          2HG       MET  20   0.782  -0.465   6.241
  161   2HG   MET  20          1HG       MET  20   1.437  -0.092   4.648
  162   1HE   MET  20          1HE       MET  20   1.827  -1.915   7.242
  163   2HE   MET  20          2HE       MET  20   3.275  -1.603   8.199
  164   3HE   MET  20          3HE       MET  20   3.395  -2.500   6.685
  165    H    THR  21           H        THR  21  -0.330   4.387   4.523
  166    HA   THR  21           HA       THR  21  -1.030   5.578   6.975
  167    HB   THR  21           HB       THR  21   0.019   6.551   4.755
  168    HG1  THR  21           1HG      THR  21  -0.447   8.602   5.565
  169   1HG2  THR  21          1HG2      THR  21  -2.593   7.868   4.406
  170   2HG2  THR  21          2HG2      THR  21  -2.411   6.260   3.706
  171   3HG2  THR  21          3HG2      THR  21  -1.307   7.554   3.240
  172    H    HIS  22           H        HIS  22  -2.914   4.149   4.464
  173    HA   HIS  22           HA       HIS  22  -5.366   4.967   5.885
  174   1HB   HIS  22          2HB       HIS  22  -6.547   5.011   3.716
  175   2HB   HIS  22          1HB       HIS  22  -5.261   6.207   3.804
  176    HD1  HIS  22           1HD      HIS  22  -4.902   6.354   1.297
  177    HD2  HIS  22           2HD      HIS  22  -4.477   2.480   2.760
  178    HE1  HIS  22           1HE      HIS  22  -3.907   5.018  -0.586
  179    HE2  HIS  22           2HE      HIS  22  -3.425   2.774   0.435
  180    H    CYS  23           H        CYS  23  -3.486   2.393   4.748
  181    HA   CYS  23           HA       CYS  23  -5.780   0.577   4.819
  182   1HB   CYS  23          2HB       CYS  23  -3.313   0.762   3.221
  183   2HB   CYS  23          1HB       CYS  23  -3.766  -0.851   3.722
  184    H    GLN  24           H        GLN  24  -5.671  -1.295   6.056
  185    HA   GLN  24           HA       GLN  24  -3.462  -1.396   8.005
  186   1HB   GLN  24          2HB       GLN  24  -5.199  -2.543   9.491
  187   2HB   GLN  24          1HB       GLN  24  -5.371  -0.811   9.244
  188   1HG   GLN  24          2HG       GLN  24  -7.527  -1.826   9.104
  189   2HG   GLN  24          1HG       GLN  24  -7.059  -1.273   7.496
  190   1HE2  GLN  24          1HE2      GLN  24  -7.620  -4.026   9.535
  191   2HE2  GLN  24          2HE2      GLN  24  -7.645  -5.210   8.278
  192    H    ALA  25           H        ALA  25  -3.574  -3.716   9.128
  193    HA   ALA  25           HA       ALA  25  -3.477  -6.008   8.955
  194   1HB   ALA  25          1HB       ALA  25  -4.651  -7.130   7.391
  195   2HB   ALA  25          2HB       ALA  25  -3.999  -6.175   6.059
  196   3HB   ALA  25          3HB       ALA  25  -5.314  -5.533   7.043
  197    H    GLY  26           H        GLY  26  -1.247  -5.695   9.329
  198   1HA   GLY  26          2HA       GLY  26   0.434  -6.805   7.336
  199   2HA   GLY  26          1HA       GLY  26   0.684  -5.069   7.428
  200    H    LYS  27           H        LYS  27   1.338  -4.166   9.497
  201    HA   LYS  27           HA       LYS  27   2.617  -6.120  11.283
  202   1HB   LYS  27          2HB       LYS  27   4.218  -5.023   9.620
  203   2HB   LYS  27          1HB       LYS  27   3.938  -3.527  10.500
  204   1HG   LYS  27          2HG       LYS  27   5.767  -4.207  11.626
  205   2HG   LYS  27          1HG       LYS  27   4.572  -5.116  12.554
  206   1HD   LYS  27          2HD       LYS  27   5.836  -6.312  10.116
  207   2HD   LYS  27          1HD       LYS  27   6.682  -6.334  11.665
  208   1HE   LYS  27          2HE       LYS  27   4.353  -7.255  12.513
  209   2HE   LYS  27          1HE       LYS  27   4.202  -7.746  10.827
  210   1HZ   LYS  27          1HZ       LYS  27   5.210  -9.431  12.355
  211   2HZ   LYS  27          2HZ       LYS  27   6.556  -8.417  12.498
  212   3HZ   LYS  27          3HZ       LYS  27   6.141  -9.062  10.991
  Start of MODEL   12
    1   1H    GLU   1          1HT       GLU   1   0.580  -2.448   4.014
    2   2H    GLU   1          2HT       GLU   1   1.509  -3.818   4.465
    3   3H    GLU   1          3HT       GLU   1   0.174  -3.996   3.401
    4    HA   GLU   1           HA       GLU   1   2.465  -2.288   2.754
    5   1HB   GLU   1          2HB       GLU   1   2.188  -5.252   2.704
    6   2HB   GLU   1          1HB       GLU   1   2.960  -4.493   1.318
    7   1HG   GLU   1          2HG       GLU   1   4.576  -3.424   2.825
    8   2HG   GLU   1          1HG       GLU   1   3.818  -4.238   4.192
    9    H    VAL   2           H        VAL   2   2.237  -1.340   0.841
   10    HA   VAL   2           HA       VAL   2  -0.226  -1.221  -0.458
   11    HB   VAL   2           HB       VAL   2   1.594   0.495  -0.565
   12   1HG1  VAL   2          1HG1      VAL   2   2.752  -1.207  -2.760
   13   2HG1  VAL   2          2HG1      VAL   2   3.394  -1.172  -1.117
   14   3HG1  VAL   2          3HG1      VAL   2   3.394   0.295  -2.095
   15   1HG2  VAL   2          1HG2      VAL   2  -0.422   0.009  -2.291
   16   2HG2  VAL   2          2HG2      VAL   2   0.953  -0.019  -3.395
   17   3HG2  VAL   2          3HG2      VAL   2   0.649   1.406  -2.401
   18    H    ARG   3           H        ARG   3   2.704  -3.037  -1.286
   19    HA   ARG   3           HA       ARG   3   1.814  -4.079  -3.732
   20   1HB   ARG   3          2HB       ARG   3   4.150  -4.176  -2.387
   21   2HB   ARG   3          1HB       ARG   3   3.555  -5.799  -2.065
   22   1HG   ARG   3          2HG       ARG   3   3.396  -4.907  -4.867
   23   2HG   ARG   3          1HG       ARG   3   5.019  -5.138  -4.216
   24   1HD   ARG   3          2HD       ARG   3   4.718  -7.288  -4.777
   25   2HD   ARG   3          1HD       ARG   3   3.742  -7.367  -3.311
   26    HE   ARG   3           HE       ARG   3   1.863  -7.563  -4.608
   27   1HH1  ARG   3          1HH1      ARG   3   4.522  -6.515  -6.610
   28   2HH1  ARG   3          2HH1      ARG   3   3.649  -6.714  -8.092
   29   1HH2  ARG   3          1HH2      ARG   3   0.712  -7.825  -6.556
   30   2HH2  ARG   3          2HH2      ARG   3   1.485  -7.457  -8.062
   31    H    ALA   4           H        ALA   4   1.145  -5.002  -0.444
   32    HA   ALA   4           HA       ALA   4  -0.123  -7.490  -1.298
   33   1HB   ALA   4          1HB       ALA   4   0.965  -8.041   0.609
   34   2HB   ALA   4          2HB       ALA   4  -0.543  -7.489   1.339
   35   3HB   ALA   4          3HB       ALA   4   0.852  -6.412   1.276
   36    H    CYS   5           H        CYS   5  -1.047  -4.380  -1.259
   37    HA   CYS   5           HA       CYS   5  -3.569  -4.549   0.078
   38   1HB   CYS   5          2HB       CYS   5  -2.243  -2.425  -0.378
   39   2HB   CYS   5          1HB       CYS   5  -2.820  -2.533  -2.032
   40    H    SER   6           H        SER   6  -5.650  -4.249  -1.035
   41    HA   SER   6           HA       SER   6  -5.701  -5.623  -3.640
   42   1HB   SER   6          2HB       SER   6  -8.025  -6.393  -2.897
   43   2HB   SER   6          1HB       SER   6  -6.650  -7.144  -2.088
   44    HG   SER   6           HG       SER   6  -8.652  -5.904  -0.960
   45    H    LEU   7           H        LEU   7  -5.720  -2.678  -2.767
   46    HA   LEU   7           HA       LEU   7  -8.287  -1.899  -3.973
   47   1HB   LEU   7          2HB       LEU   7  -6.308  -0.277  -2.373
   48   2HB   LEU   7          1HB       LEU   7  -7.782   0.357  -3.076
   49    HG   LEU   7           HG       LEU   7  -8.198  -1.974  -1.342
   50   1HD1  LEU   7          1HD1      LEU   7  -7.997   0.131   0.491
   51   2HD1  LEU   7          2HD1      LEU   7  -6.493   0.152  -0.429
   52   3HD1  LEU   7          3HD1      LEU   7  -6.997  -1.319   0.403
   53   1HD2  LEU   7          1HD2      LEU   7 -10.083  -0.713  -0.614
   54   2HD2  LEU   7          2HD2      LEU   7  -9.958  -0.507  -2.361
   55   3HD2  LEU   7          3HD2      LEU   7  -9.418   0.779  -1.281
   56    HA   PRO   8           HA       PRO   8  -6.046  -0.520  -7.554
   57   1HB   PRO   8          2HB       PRO   8  -8.042   0.633  -8.888
   58   2HB   PRO   8          1HB       PRO   8  -8.047  -1.108  -8.581
   59   1HG   PRO   8          2HG       PRO   8  -9.570   1.064  -7.211
   60   2HG   PRO   8          1HG       PRO   8 -10.089  -0.577  -7.632
   61   1HD   PRO   8          2HD       PRO   8  -9.192   0.257  -5.121
   62   2HD   PRO   8          1HD       PRO   8  -9.307  -1.425  -5.673
   63    H    HIS   9           H        HIS   9  -5.603   1.136  -5.302
   64    HA   HIS   9           HA       HIS   9  -5.441   3.753  -6.613
   65   1HB   HIS   9          2HB       HIS   9  -7.399   3.707  -5.019
   66   2HB   HIS   9          1HB       HIS   9  -6.246   3.426  -3.716
   67    HD1  HIS   9           1HD      HIS   9  -7.907   6.092  -5.490
   68    HD2  HIS   9           2HD      HIS   9  -4.278   5.627  -3.519
   69    HE1  HIS   9           1HE      HIS   9  -7.098   8.425  -5.013
   70    HE2  HIS   9           2HE      HIS   9  -4.857   8.120  -3.901
   71    H    CYS  10           H        CYS  10  -4.490   1.792  -3.833
   72    HA   CYS  10           HA       CYS  10  -2.200   3.306  -3.161
   73   1HB   CYS  10          2HB       CYS  10  -2.496   0.378  -2.553
   74   2HB   CYS  10          1HB       CYS  10  -1.735   1.631  -1.581
   75    H    ARG  11           H        ARG  11  -2.772   0.694  -5.406
   76    HA   ARG  11           HA       ARG  11  -0.025   0.036  -5.821
   77   1HB   ARG  11          2HB       ARG  11  -2.308  -1.234  -6.422
   78   2HB   ARG  11          1HB       ARG  11  -2.014  -0.461  -7.973
   79   1HG   ARG  11          2HG       ARG  11   0.277  -1.474  -7.939
   80   2HG   ARG  11          1HG       ARG  11  -0.227  -2.391  -6.517
   81   1HD   ARG  11          2HD       ARG  11  -1.722  -3.676  -7.711
   82   2HD   ARG  11          1HD       ARG  11  -1.911  -2.465  -8.979
   83    HE   ARG  11           HE       ARG  11   0.732  -3.527  -8.915
   84   1HH1  ARG  11          1HH1      ARG  11  -2.520  -4.200  -9.985
   85   2HH1  ARG  11          2HH1      ARG  11  -2.015  -5.245 -11.270
   86   1HH2  ARG  11          1HH2      ARG  11   1.399  -4.900 -10.604
   87   2HH2  ARG  11          2HH2      ARG  11   0.210  -5.643 -11.621
   88    H    THR  12           H        THR  12   0.958   2.081  -6.146
   89    HA   THR  12           HA       THR  12   0.579   3.120  -8.871
   90    HB   THR  12           HB       THR  12   0.995   4.753  -6.360
   91    HG1  THR  12           1HG      THR  12  -1.162   3.998  -6.804
   92   1HG2  THR  12          1HG2      THR  12   0.283   6.258  -8.710
   93   2HG2  THR  12          2HG2      THR  12   1.825   5.428  -8.920
   94   3HG2  THR  12          3HG2      THR  12   1.589   6.518  -7.554
   95    H    MET  13           H        MET  13   2.782   4.165  -6.300
   96    HA   MET  13           HA       MET  13   5.030   3.351  -8.015
   97   1HB   MET  13          2HB       MET  13   4.970   5.542  -5.933
   98   2HB   MET  13          1HB       MET  13   6.319   5.149  -6.991
   99   1HG   MET  13          2HG       MET  13   4.390   5.573  -8.819
  100   2HG   MET  13          1HG       MET  13   3.856   6.659  -7.538
  101   1HE   MET  13          1HE       MET  13   6.037   6.611 -10.733
  102   2HE   MET  13          2HE       MET  13   5.997   8.370 -10.622
  103   3HE   MET  13          3HE       MET  13   4.519   7.438 -10.385
  104    H    LYS  14           H        LYS  14   3.419   2.237  -5.474
  105    HA   LYS  14           HA       LYS  14   3.935   0.583  -3.995
  106   1HB   LYS  14          2HB       LYS  14   5.867  -0.570  -4.191
  107   2HB   LYS  14          1HB       LYS  14   6.098   0.437  -5.610
  108   1HG   LYS  14          2HG       LYS  14   7.259   2.040  -3.869
  109   2HG   LYS  14          1HG       LYS  14   7.445   0.538  -2.966
  110   1HD   LYS  14          2HD       LYS  14   8.273  -0.320  -5.349
  111   2HD   LYS  14          1HD       LYS  14   8.682   1.388  -5.524
  112   1HE   LYS  14          2HE       LYS  14  10.185   1.337  -3.750
  113   2HE   LYS  14          1HE       LYS  14   9.479  -0.128  -3.068
  114   1HZ   LYS  14          1HZ       LYS  14  11.255   0.133  -5.416
  115   2HZ   LYS  14          2HZ       LYS  14  10.302  -1.245  -5.182
  116   3HZ   LYS  14          3HZ       LYS  14  11.467  -0.818  -4.032
  117    H    ASN  15           H        ASN  15   3.864   3.565  -3.534
  118    HA   ASN  15           HA       ASN  15   5.580   4.191  -1.386
  119   1HB   ASN  15          2HB       ASN  15   3.837   5.992  -0.949
  120   2HB   ASN  15          1HB       ASN  15   4.587   6.008  -2.538
  121   1HD2  ASN  15          1HD2      ASN  15   3.302   6.039  -4.244
  122   2HD2  ASN  15          2HD2      ASN  15   1.607   5.706  -4.237
  123    H    VAL  16           H        VAL  16   5.339   2.135  -0.213
  124    HA   VAL  16           HA       VAL  16   3.055   1.167   0.979
  125    HB   VAL  16           HB       VAL  16   5.744   1.234   2.331
  126   1HG1  VAL  16          1HG1      VAL  16   4.084  -1.164   2.515
  127   2HG1  VAL  16          2HG1      VAL  16   3.359   0.267   3.249
  128   3HG1  VAL  16          3HG1      VAL  16   4.951  -0.284   3.773
  129   1HG2  VAL  16          1HG2      VAL  16   5.723  -1.155   1.118
  130   2HG2  VAL  16          2HG2      VAL  16   6.437   0.287   0.395
  131   3HG2  VAL  16          3HG2      VAL  16   4.811  -0.218  -0.066
  132    H    LEU  17           H        LEU  17   4.999   3.927   1.921
  133    HA   LEU  17           HA       LEU  17   3.938   4.261   4.511
  134   1HB   LEU  17          2HB       LEU  17   4.965   6.446   2.714
  135   2HB   LEU  17          1HB       LEU  17   4.912   6.448   4.465
  136    HG   LEU  17           HG       LEU  17   6.520   4.323   3.147
  137   1HD1  LEU  17          1HD1      LEU  17   8.319   5.665   2.597
  138   2HD1  LEU  17          2HD1      LEU  17   7.741   7.018   3.569
  139   3HD1  LEU  17          3HD1      LEU  17   6.949   6.627   2.042
  140   1HD2  LEU  17          1HD2      LEU  17   7.429   5.983   5.433
  141   2HD2  LEU  17          2HD2      LEU  17   7.628   4.256   5.135
  142   3HD2  LEU  17          3HD2      LEU  17   6.079   4.880   5.701
  143    H    ASN  18           H        ASN  18   2.904   5.315   1.357
  144    HA   ASN  18           HA       ASN  18   0.844   7.058   2.316
  145   1HB   ASN  18          2HB       ASN  18   2.040   6.455  -0.194
  146   2HB   ASN  18          1HB       ASN  18   0.308   6.196  -0.355
  147   1HD2  ASN  18          1HD2      ASN  18   2.827   8.489   0.024
  148   2HD2  ASN  18          2HD2      ASN  18   1.850   9.911  -0.069
  149    H    HIS  19           H        HIS  19   1.082   3.699   1.434
  150    HA   HIS  19           HA       HIS  19  -1.733   3.245   1.285
  151   1HB   HIS  19          2HB       HIS  19  -0.602   1.668   0.046
  152   2HB   HIS  19          1HB       HIS  19   0.717   1.551   1.200
  153    HD2  HIS  19           2HD      HIS  19   0.581  -0.526   2.921
  154    HE1  HIS  19           1HE      HIS  19  -3.353  -1.725   1.952
  155    HE2  HIS  19           2HE      HIS  19  -1.193  -2.406   3.101
  156    H    MET  20           H        MET  20   0.717   2.175   3.662
  157    HA   MET  20           HA       MET  20  -1.061   1.137   5.525
  158   1HB   MET  20          2HB       MET  20   1.723   2.191   5.665
  159   2HB   MET  20          1HB       MET  20   0.874   1.896   7.176
  160   1HG   MET  20          2HG       MET  20   0.749  -0.283   5.207
  161   2HG   MET  20          1HG       MET  20   2.344   0.055   5.877
  162   1HE   MET  20          1HE       MET  20   2.896  -1.399   8.560
  163   2HE   MET  20          2HE       MET  20   2.013  -0.227   9.539
  164   3HE   MET  20          3HE       MET  20   2.894   0.306   8.106
  165    H    THR  21           H        THR  21  -0.386   4.428   4.770
  166    HA   THR  21           HA       THR  21  -1.119   5.622   7.211
  167    HB   THR  21           HB       THR  21  -0.008   6.587   5.019
  168    HG1  THR  21           1HG      THR  21   0.053   8.095   6.461
  169   1HG2  THR  21          1HG2      THR  21  -1.285   7.609   3.475
  170   2HG2  THR  21          2HG2      THR  21  -2.592   7.942   4.612
  171   3HG2  THR  21          3HG2      THR  21  -2.419   6.331   3.914
  172    H    HIS  22           H        HIS  22  -2.972   4.233   4.653
  173    HA   HIS  22           HA       HIS  22  -5.441   5.083   6.027
  174   1HB   HIS  22          2HB       HIS  22  -6.575   5.149   3.833
  175   2HB   HIS  22          1HB       HIS  22  -5.275   6.328   3.954
  176    HD1  HIS  22           1HD      HIS  22  -4.853   6.482   1.458
  177    HD2  HIS  22           2HD      HIS  22  -4.526   2.594   2.909
  178    HE1  HIS  22           1HE      HIS  22  -3.837   5.139  -0.409
  179    HE2  HIS  22           2HE      HIS  22  -3.415   2.882   0.611
  180    H    CYS  23           H        CYS  23  -3.577   2.485   4.912
  181    HA   CYS  23           HA       CYS  23  -5.898   0.702   4.932
  182   1HB   CYS  23          2HB       CYS  23  -3.395   0.857   3.386
  183   2HB   CYS  23          1HB       CYS  23  -3.883  -0.752   3.871
  184    H    GLN  24           H        GLN  24  -5.888  -1.114   6.222
  185    HA   GLN  24           HA       GLN  24  -3.896  -1.118   8.368
  186   1HB   GLN  24          2HB       GLN  24  -5.484  -2.495   9.605
  187   2HB   GLN  24          1HB       GLN  24  -6.264  -1.032   9.019
  188   1HG   GLN  24          2HG       GLN  24  -7.214  -2.326   7.147
  189   2HG   GLN  24          1HG       GLN  24  -6.494  -3.785   7.827
  190   1HE2  GLN  24          1HE2      GLN  24  -9.159  -1.722   7.829
  191   2HE2  GLN  24          2HE2      GLN  24 -10.007  -2.410   9.168
  192    H    ALA  25           H        ALA  25  -3.539  -3.444   9.287
  193    HA   ALA  25           HA       ALA  25  -2.878  -5.630   9.015
  194   1HB   ALA  25          1HB       ALA  25  -3.535  -6.881   7.244
  195   2HB   ALA  25          2HB       ALA  25  -3.087  -5.651   6.064
  196   3HB   ALA  25          3HB       ALA  25  -4.592  -5.496   6.970
  197    H    GLY  26           H        GLY  26  -0.782  -5.872   9.354
  198   1HA   GLY  26          2HA       GLY  26   1.196  -5.872   7.428
  199   2HA   GLY  26          1HA       GLY  26   1.178  -4.240   8.078
  200    H    LYS  27           H        LYS  27   2.244  -3.837   9.924
  201    HA   LYS  27           HA       LYS  27   3.063  -6.120  11.584
  202   1HB   LYS  27          2HB       LYS  27   4.847  -5.131   9.935
  203   2HB   LYS  27          1HB       LYS  27   4.953  -3.843  11.127
  204   1HG   LYS  27          2HG       LYS  27   6.541  -5.162  12.009
  205   2HG   LYS  27          1HG       LYS  27   5.160  -5.982  12.741
  206   1HD   LYS  27          2HD       LYS  27   5.958  -6.848  10.022
  207   2HD   LYS  27          1HD       LYS  27   7.040  -7.274  11.350
  208   1HE   LYS  27          2HE       LYS  27   4.832  -8.058  12.508
  209   2HE   LYS  27          1HE       LYS  27   4.214  -8.108  10.857
  210   1HZ   LYS  27          1HZ       LYS  27   5.334 -10.190  11.905
  211   2HZ   LYS  27          2HZ       LYS  27   6.772  -9.417  11.463
  212   3HZ   LYS  27          3HZ       LYS  27   5.622  -9.801  10.283
  Start of MODEL   13
    1   1H    GLU   1          1HT       GLU   1   1.829  -3.204   4.993
    2   2H    GLU   1          2HT       GLU   1   0.570  -3.817   4.000
    3   3H    GLU   1          3HT       GLU   1   0.695  -2.129   4.288
    4    HA   GLU   1           HA       GLU   1   2.608  -1.936   3.035
    5   1HB   GLU   1          2HB       GLU   1   2.681  -4.876   3.479
    6   2HB   GLU   1          1HB       GLU   1   3.353  -4.282   1.967
    7   1HG   GLU   1          2HG       GLU   1   4.574  -2.601   3.615
    8   2HG   GLU   1          1HG       GLU   1   4.315  -3.930   4.744
    9    H    VAL   2           H        VAL   2   2.335  -1.387   0.971
   10    HA   VAL   2           HA       VAL   2  -0.126  -1.710  -0.297
   11    HB   VAL   2           HB       VAL   2   1.520   0.113  -0.736
   12   1HG1  VAL   2          1HG1      VAL   2   2.870  -1.717  -2.682
   13   2HG1  VAL   2          2HG1      VAL   2   3.430  -1.602  -1.014
   14   3HG1  VAL   2          3HG1      VAL   2   3.418  -0.168  -2.041
   15   1HG2  VAL   2          1HG2      VAL   2   0.111  -1.416  -2.858
   16   2HG2  VAL   2          2HG2      VAL   2   1.173  -0.098  -3.354
   17   3HG2  VAL   2          3HG2      VAL   2  -0.174   0.219  -2.261
   18    H    ARG   3           H        ARG   3   2.893  -3.493  -0.656
   19    HA   ARG   3           HA       ARG   3   2.299  -4.949  -2.953
   20   1HB   ARG   3          2HB       ARG   3   4.503  -4.840  -1.705
   21   2HB   ARG   3          1HB       ARG   3   3.838  -6.029  -0.594
   22   1HG   ARG   3          2HG       ARG   3   4.963  -7.393  -2.031
   23   2HG   ARG   3          1HG       ARG   3   3.377  -7.368  -2.803
   24   1HD   ARG   3          2HD       ARG   3   4.090  -6.057  -4.539
   25   2HD   ARG   3          1HD       ARG   3   5.355  -5.289  -3.580
   26    HE   ARG   3           HE       ARG   3   5.878  -8.058  -4.018
   27   1HH1  ARG   3          1HH1      ARG   3   6.062  -4.905  -5.503
   28   2HH1  ARG   3          2HH1      ARG   3   7.357  -5.343  -6.566
   29   1HH2  ARG   3          1HH2      ARG   3   7.582  -8.635  -5.414
   30   2HH2  ARG   3          2HH2      ARG   3   8.220  -7.461  -6.516
   31    H    ALA   4           H        ALA   4   0.994  -5.217   0.229
   32    HA   ALA   4           HA       ALA   4  -0.189  -7.822  -0.422
   33   1HB   ALA   4          1HB       ALA   4   0.679  -8.207   1.630
   34   2HB   ALA   4          2HB       ALA   4  -0.859  -7.516   2.146
   35   3HB   ALA   4          3HB       ALA   4   0.590  -6.512   2.106
   36    H    CYS   5           H        CYS   5  -0.960  -4.633  -0.643
   37    HA   CYS   5           HA       CYS   5  -3.640  -4.686   0.355
   38   1HB   CYS   5          2HB       CYS   5  -2.188  -2.613   0.027
   39   2HB   CYS   5          1HB       CYS   5  -2.578  -2.740  -1.683
   40    H    SER   6           H        SER   6  -5.544  -4.350  -1.022
   41    HA   SER   6           HA       SER   6  -5.301  -5.726  -3.615
   42   1HB   SER   6          2HB       SER   6  -7.571  -6.646  -3.220
   43   2HB   SER   6          1HB       SER   6  -6.410  -7.193  -2.010
   44    HG   SER   6           HG       SER   6  -7.236  -5.406  -0.694
   45    H    LEU   7           H        LEU   7  -5.396  -2.803  -2.713
   46    HA   LEU   7           HA       LEU   7  -7.806  -1.971  -4.171
   47   1HB   LEU   7          2HB       LEU   7  -5.990  -0.384  -2.359
   48   2HB   LEU   7          1HB       LEU   7  -7.408   0.248  -3.170
   49    HG   LEU   7           HG       LEU   7  -7.877  -2.124  -1.478
   50   1HD1  LEU   7          1HD1      LEU   7  -7.998   0.040   0.305
   51   2HD1  LEU   7          2HD1      LEU   7  -6.404   0.107  -0.446
   52   3HD1  LEU   7          3HD1      LEU   7  -6.931  -1.361   0.375
   53   1HD2  LEU   7          1HD2      LEU   7  -9.280   0.537  -1.631
   54   2HD2  LEU   7          2HD2      LEU   7  -9.902  -0.968  -0.955
   55   3HD2  LEU   7          3HD2      LEU   7  -9.630  -0.827  -2.692
   56    HA   PRO   8           HA       PRO   8  -5.172  -1.028  -7.665
   57   1HB   PRO   8          2HB       PRO   8  -7.441   0.684  -8.489
   58   2HB   PRO   8          1HB       PRO   8  -6.667  -0.649  -9.350
   59   1HG   PRO   8          2HG       PRO   8  -9.095  -0.924  -8.268
   60   2HG   PRO   8          1HG       PRO   8  -7.925  -2.257  -8.265
   61   1HD   PRO   8          2HD       PRO   8  -8.698  -0.407  -6.044
   62   2HD   PRO   8          1HD       PRO   8  -8.365  -2.151  -5.997
   63    H    HIS   9           H        HIS   9  -6.579   1.246  -5.480
   64    HA   HIS   9           HA       HIS   9  -5.441   3.615  -6.591
   65   1HB   HIS   9          2HB       HIS   9  -7.414   3.492  -4.985
   66   2HB   HIS   9          1HB       HIS   9  -6.238   3.194  -3.707
   67    HD1  HIS   9           1HD      HIS   9  -7.902   5.881  -5.489
   68    HD2  HIS   9           2HD      HIS   9  -4.331   5.406  -3.418
   69    HE1  HIS   9           1HE      HIS   9  -7.116   8.212  -4.962
   70    HE2  HIS   9           2HE      HIS   9  -5.001   7.896  -3.630
   71    H    CYS  10           H        CYS  10  -4.628   1.624  -3.774
   72    HA   CYS  10           HA       CYS  10  -2.245   2.988  -3.135
   73   1HB   CYS  10          2HB       CYS  10  -2.742   0.092  -2.495
   74   2HB   CYS  10          1HB       CYS  10  -1.860   1.287  -1.551
   75    H    ARG  11           H        ARG  11  -2.983   0.783  -5.631
   76    HA   ARG  11           HA       ARG  11  -0.267  -0.193  -5.921
   77   1HB   ARG  11          2HB       ARG  11  -2.227  -1.631  -6.420
   78   2HB   ARG  11          1HB       ARG  11  -2.643  -0.560  -7.752
   79   1HG   ARG  11          2HG       ARG  11   0.104  -1.456  -7.914
   80   2HG   ARG  11          1HG       ARG  11  -1.030  -2.807  -7.865
   81   1HD   ARG  11          2HD       ARG  11  -1.902  -2.318  -9.890
   82   2HD   ARG  11          1HD       ARG  11  -1.780  -0.577  -9.638
   83    HE   ARG  11           HE       ARG  11   0.795  -1.325  -9.949
   84   1HH1  ARG  11          1HH1      ARG  11  -2.086  -1.903 -11.832
   85   2HH1  ARG  11          2HH1      ARG  11  -1.235  -1.990 -13.338
   86   1HH2  ARG  11          1HH2      ARG  11   1.916  -1.440 -11.928
   87   2HH2  ARG  11          2HH2      ARG  11   1.037  -1.728 -13.393
   88    H    THR  12           H        THR  12  -0.907   2.722  -6.195
   89    HA   THR  12           HA       THR  12  -0.719   3.485  -8.904
   90    HB   THR  12           HB       THR  12   0.113   4.960  -6.397
   91    HG1  THR  12           1HG      THR  12  -2.291   4.906  -7.891
   92   1HG2  THR  12          1HG2      THR  12   0.598   5.704  -9.050
   93   2HG2  THR  12          2HG2      THR  12   0.722   6.706  -7.604
   94   3HG2  THR  12          3HG2      THR  12  -0.786   6.659  -8.517
   95    H    MET  13           H        MET  13   1.815   4.096  -6.493
   96    HA   MET  13           HA       MET  13   3.807   3.232  -8.483
   97   1HB   MET  13          2HB       MET  13   3.805   5.590  -6.622
   98   2HB   MET  13          1HB       MET  13   5.313   4.925  -7.233
   99   1HG   MET  13          2HG       MET  13   3.195   5.541  -9.207
  100   2HG   MET  13          1HG       MET  13   4.024   6.897  -8.445
  101   1HE   MET  13          1HE       MET  13   6.250   7.605 -10.948
  102   2HE   MET  13          2HE       MET  13   7.072   7.362  -9.407
  103   3HE   MET  13          3HE       MET  13   5.423   7.986  -9.438
  104    H    LYS  14           H        LYS  14   2.416   2.273  -5.739
  105    HA   LYS  14           HA       LYS  14   2.974   0.602  -4.296
  106   1HB   LYS  14          2HB       LYS  14   4.767  -0.709  -4.700
  107   2HB   LYS  14          1HB       LYS  14   4.901   0.256  -6.160
  108   1HG   LYS  14          2HG       LYS  14   6.395   1.779  -4.612
  109   2HG   LYS  14          1HG       LYS  14   6.572   0.278  -3.706
  110   1HD   LYS  14          2HD       LYS  14   6.948   0.220  -6.660
  111   2HD   LYS  14          1HD       LYS  14   8.232   0.895  -5.655
  112   1HE   LYS  14          2HE       LYS  14   8.869  -1.306  -5.733
  113   2HE   LYS  14          1HE       LYS  14   7.880  -1.304  -4.274
  114   1HZ   LYS  14          1HZ       LYS  14   7.327  -2.477  -6.894
  115   2HZ   LYS  14          2HZ       LYS  14   6.014  -1.870  -6.018
  116   3HZ   LYS  14          3HZ       LYS  14   6.990  -3.078  -5.348
  117    H    ASN  15           H        ASN  15   3.193   3.579  -3.888
  118    HA   ASN  15           HA       ASN  15   5.210   4.104  -1.995
  119   1HB   ASN  15          2HB       ASN  15   3.642   6.014  -1.353
  120   2HB   ASN  15          1HB       ASN  15   4.210   5.984  -3.014
  121   1HD2  ASN  15          1HD2      ASN  15   2.651   6.717  -4.259
  122   2HD2  ASN  15          2HD2      ASN  15   0.988   6.256  -4.184
  123    H    VAL  16           H        VAL  16   5.037   2.125  -0.739
  124    HA   VAL  16           HA       VAL  16   2.955   1.173   0.723
  125    HB   VAL  16           HB       VAL  16   5.724   1.456   1.868
  126   1HG1  VAL  16          1HG1      VAL  16   4.198  -1.004   2.295
  127   2HG1  VAL  16          2HG1      VAL  16   3.477   0.432   3.021
  128   3HG1  VAL  16          3HG1      VAL  16   5.128  -0.031   3.435
  129   1HG2  VAL  16          1HG2      VAL  16   5.687  -1.018   0.775
  130   2HG2  VAL  16          2HG2      VAL  16   6.369   0.403  -0.015
  131   3HG2  VAL  16          3HG2      VAL  16   4.731  -0.122  -0.405
  132    H    LEU  17           H        LEU  17   5.030   3.909   1.623
  133    HA   LEU  17           HA       LEU  17   3.993   4.349   4.175
  134   1HB   LEU  17          2HB       LEU  17   5.347   6.089   2.161
  135   2HB   LEU  17          1HB       LEU  17   4.669   6.816   3.606
  136    HG   LEU  17           HG       LEU  17   6.490   4.484   3.945
  137   1HD1  LEU  17          1HD1      LEU  17   8.002   5.518   2.611
  138   2HD1  LEU  17          2HD1      LEU  17   8.288   6.446   4.083
  139   3HD1  LEU  17          3HD1      LEU  17   7.260   7.106   2.811
  140   1HD2  LEU  17          1HD2      LEU  17   6.190   7.063   5.475
  141   2HD2  LEU  17          2HD2      LEU  17   7.068   5.619   5.979
  142   3HD2  LEU  17          3HD2      LEU  17   5.311   5.578   5.837
  143    H    ASN  18           H        ASN  18   2.844   5.331   1.039
  144    HA   ASN  18           HA       ASN  18   0.804   7.077   2.038
  145   1HB   ASN  18          2HB       ASN  18   1.929   6.474  -0.493
  146   2HB   ASN  18          1HB       ASN  18   0.204   6.142  -0.607
  147   1HD2  ASN  18          1HD2      ASN  18   1.950   8.565   1.286
  148   2HD2  ASN  18          2HD2      ASN  18   1.180   9.935   0.569
  149    H    HIS  19           H        HIS  19   1.055   3.699   1.270
  150    HA   HIS  19           HA       HIS  19  -1.763   3.217   1.199
  151   1HB   HIS  19          2HB       HIS  19  -0.667   1.605  -0.019
  152   2HB   HIS  19          1HB       HIS  19   0.701   1.549   1.082
  153    HD2  HIS  19           2HD      HIS  19   0.665  -0.461   2.889
  154    HE1  HIS  19           1HE      HIS  19  -3.278  -1.767   2.105
  155    HE2  HIS  19           2HE      HIS  19  -1.066  -2.365   3.199
  156    H    MET  20           H        MET  20   0.767   2.254   3.537
  157    HA   MET  20           HA       MET  20  -0.946   1.254   5.482
  158   1HB   MET  20          2HB       MET  20   1.724   1.395   5.258
  159   2HB   MET  20          1HB       MET  20   1.475   2.691   6.420
  160   1HG   MET  20          2HG       MET  20   0.450   1.207   7.972
  161   2HG   MET  20          1HG       MET  20   0.403  -0.093   6.783
  162   1HE   MET  20          1HE       MET  20   1.893   1.723   9.379
  163   2HE   MET  20          2HE       MET  20   3.598   1.923   8.975
  164   3HE   MET  20          3HE       MET  20   3.084   0.574   9.989
  165    H    THR  21           H        THR  21  -0.331   4.521   4.593
  166    HA   THR  21           HA       THR  21  -0.989   5.805   7.005
  167    HB   THR  21           HB       THR  21   0.010   6.693   4.730
  168    HG1  THR  21           1HG      THR  21   0.031   8.062   6.400
  169   1HG2  THR  21          1HG2      THR  21  -2.617   7.978   4.371
  170   2HG2  THR  21          2HG2      THR  21  -2.436   6.343   3.736
  171   3HG2  THR  21          3HG2      THR  21  -1.349   7.624   3.197
  172    H    HIS  22           H        HIS  22  -2.928   4.291   4.580
  173    HA   HIS  22           HA       HIS  22  -5.349   5.150   6.031
  174   1HB   HIS  22          2HB       HIS  22  -6.579   5.066   3.875
  175   2HB   HIS  22          1HB       HIS  22  -5.337   6.310   3.918
  176    HD1  HIS  22           1HD      HIS  22  -4.912   6.433   1.441
  177    HD2  HIS  22           2HD      HIS  22  -4.529   2.559   2.920
  178    HE1  HIS  22           1HE      HIS  22  -3.922   5.082  -0.433
  179    HE2  HIS  22           2HE      HIS  22  -3.463   2.837   0.598
  180    H    CYS  23           H        CYS  23  -3.508   2.546   4.826
  181    HA   CYS  23           HA       CYS  23  -5.777   0.719   5.068
  182   1HB   CYS  23          2HB       CYS  23  -3.337   0.855   3.422
  183   2HB   CYS  23          1HB       CYS  23  -3.770  -0.741   3.994
  184    H    GLN  24           H        GLN  24  -4.615  -1.629   5.580
  185    HA   GLN  24           HA       GLN  24  -2.606  -1.628   7.567
  186   1HB   GLN  24          2HB       GLN  24  -4.167  -2.350   9.462
  187   2HB   GLN  24          1HB       GLN  24  -4.104  -0.634   9.080
  188   1HG   GLN  24          2HG       GLN  24  -6.191  -0.712   7.969
  189   2HG   GLN  24          1HG       GLN  24  -6.208  -2.475   7.984
  190   1HE2  GLN  24          1HE2      GLN  24  -7.535  -3.306   9.412
  191   2HE2  GLN  24          2HE2      GLN  24  -7.968  -2.614  10.935
  192    H    ALA  25           H        ALA  25  -1.750  -3.601   7.578
  193    HA   ALA  25           HA       ALA  25  -3.217  -6.004   7.670
  194   1HB   ALA  25          1HB       ALA  25  -3.441  -5.059   5.202
  195   2HB   ALA  25          2HB       ALA  25  -3.285  -6.784   5.531
  196   3HB   ALA  25          3HB       ALA  25  -1.876  -5.851   5.027
  197    H    GLY  26           H        GLY  26  -1.927  -7.581   8.425
  198   1HA   GLY  26          2HA       GLY  26   0.077  -8.844   8.531
  199   2HA   GLY  26          1HA       GLY  26   0.948  -7.470   7.867
  200    H    LYS  27           H        LYS  27   1.041  -5.516   9.323
  201    HA   LYS  27           HA       LYS  27   1.122  -6.287  12.158
  202   1HB   LYS  27          2HB       LYS  27   3.393  -6.162  10.738
  203   2HB   LYS  27          1HB       LYS  27   3.246  -4.463  11.167
  204   1HG   LYS  27          2HG       LYS  27   3.659  -4.836  13.361
  205   2HG   LYS  27          1HG       LYS  27   2.893  -6.426  13.350
  206   1HD   LYS  27          2HD       LYS  27   5.344  -6.191  11.734
  207   2HD   LYS  27          1HD       LYS  27   5.568  -6.025  13.477
  208   1HE   LYS  27          2HE       LYS  27   4.690  -8.162  13.902
  209   2HE   LYS  27          1HE       LYS  27   3.985  -8.284  12.290
  210   1HZ   LYS  27          1HZ       LYS  27   6.152  -9.547  12.820
  211   2HZ   LYS  27          2HZ       LYS  27   6.903  -8.047  12.608
  212   3HZ   LYS  27          3HZ       LYS  27   6.020  -8.736  11.341
  Start of MODEL   14
    1   1H    GLU   1          1HT       GLU   1   1.999  -3.712   4.518
    2   2H    GLU   1          2HT       GLU   1   0.657  -4.157   3.546
    3   3H    GLU   1          3HT       GLU   1   0.843  -2.531   4.063
    4    HA   GLU   1           HA       GLU   1   2.650  -2.173   2.704
    5   1HB   GLU   1          2HB       GLU   1   2.646  -5.177   2.517
    6   2HB   GLU   1          1HB       GLU   1   3.477  -4.198   1.315
    7   1HG   GLU   1          2HG       GLU   1   4.868  -3.217   3.047
    8   2HG   GLU   1          1HG       GLU   1   4.012  -4.145   4.277
    9    H    VAL   2           H        VAL   2   2.166  -1.291   0.810
   10    HA   VAL   2           HA       VAL   2  -0.369  -1.524  -0.328
   11    HB   VAL   2           HB       VAL   2   1.199   0.418  -0.563
   12   1HG1  VAL   2          1HG1      VAL   2   3.035   0.408  -1.908
   13   2HG1  VAL   2          2HG1      VAL   2   2.390  -0.840  -2.972
   14   3HG1  VAL   2          3HG1      VAL   2   3.051  -1.279  -1.397
   15   1HG2  VAL   2          1HG2      VAL   2   0.474  -0.139  -3.344
   16   2HG2  VAL   2          2HG2      VAL   2  -0.044   1.164  -2.274
   17   3HG2  VAL   2          3HG2      VAL   2  -0.829  -0.413  -2.188
   18    H    ARG   3           H        ARG   3   2.625  -3.193  -1.040
   19    HA   ARG   3           HA       ARG   3   1.957  -4.256  -3.547
   20   1HB   ARG   3          2HB       ARG   3   4.227  -4.277  -2.442
   21   2HB   ARG   3          1HB       ARG   3   3.656  -5.614  -1.453
   22   1HG   ARG   3          2HG       ARG   3   4.578  -6.860  -3.074
   23   2HG   ARG   3          1HG       ARG   3   3.052  -6.549  -3.904
   24   1HD   ARG   3          2HD       ARG   3   4.114  -4.562  -4.967
   25   2HD   ARG   3          1HD       ARG   3   5.644  -5.046  -4.237
   26    HE   ARG   3           HE       ARG   3   4.412  -7.112  -5.808
   27   1HH1  ARG   3          1HH1      ARG   3   6.500  -4.317  -5.895
   28   2HH1  ARG   3          2HH1      ARG   3   7.305  -4.809  -7.347
   29   1HH2  ARG   3          1HH2      ARG   3   5.471  -7.761  -7.717
   30   2HH2  ARG   3          2HH2      ARG   3   6.721  -6.763  -8.382
   31    H    ALA   4           H        ALA   4   1.023  -5.172  -0.320
   32    HA   ALA   4           HA       ALA   4  -0.194  -7.646  -1.296
   33   1HB   ALA   4          1HB       ALA   4   1.028  -8.027   0.675
   34   2HB   ALA   4          2HB       ALA   4  -0.663  -8.006   1.175
   35   3HB   ALA   4          3HB       ALA   4   0.359  -6.598   1.463
   36    H    CYS   5           H        CYS   5  -1.087  -4.525  -1.194
   37    HA   CYS   5           HA       CYS   5  -3.676  -4.715   0.005
   38   1HB   CYS   5          2HB       CYS   5  -2.323  -2.588  -0.288
   39   2HB   CYS   5          1HB       CYS   5  -2.782  -2.632  -1.983
   40    H    SER   6           H        SER   6  -5.695  -4.368  -1.194
   41    HA   SER   6           HA       SER   6  -5.624  -5.648  -3.847
   42   1HB   SER   6          2HB       SER   6  -8.039  -6.336  -3.221
   43   2HB   SER   6          1HB       SER   6  -6.707  -7.211  -2.467
   44    HG   SER   6           HG       SER   6  -7.112  -6.246  -0.582
   45    H    LEU   7           H        LEU   7  -5.637  -2.732  -2.882
   46    HA   LEU   7           HA       LEU   7  -8.111  -1.859  -4.211
   47   1HB   LEU   7          2HB       LEU   7  -6.205  -0.327  -2.441
   48   2HB   LEU   7          1HB       LEU   7  -7.626   0.354  -3.207
   49    HG   LEU   7           HG       LEU   7  -8.162  -2.025  -1.565
   50   1HD1  LEU   7          1HD1      LEU   7  -8.072   0.044   0.320
   51   2HD1  LEU   7          2HD1      LEU   7  -6.512   0.072  -0.501
   52   3HD1  LEU   7          3HD1      LEU   7  -7.076  -1.411   0.269
   53   1HD2  LEU   7          1HD2      LEU   7 -10.091  -0.788  -0.937
   54   2HD2  LEU   7          2HD2      LEU   7  -9.848  -0.523  -2.664
   55   3HD2  LEU   7          3HD2      LEU   7  -9.384   0.725  -1.507
   56    HA   PRO   8           HA       PRO   8  -5.707  -0.470  -7.666
   57   1HB   PRO   8          2HB       PRO   8  -7.503   1.110  -8.877
   58   2HB   PRO   8          1HB       PRO   8  -7.721  -0.643  -8.795
   59   1HG   PRO   8          2HG       PRO   8  -8.975   1.501  -7.128
   60   2HG   PRO   8          1HG       PRO   8  -9.716   0.050  -7.827
   61   1HD   PRO   8          2HD       PRO   8  -8.897   0.252  -5.213
   62   2HD   PRO   8          1HD       PRO   8  -9.021  -1.280  -6.100
   63    H    HIS   9           H        HIS   9  -6.796   1.606  -5.184
   64    HA   HIS   9           HA       HIS   9  -5.764   4.061  -6.269
   65   1HB   HIS   9          2HB       HIS   9  -7.647   3.858  -4.562
   66   2HB   HIS   9          1HB       HIS   9  -6.401   3.484  -3.374
   67    HD1  HIS   9           1HD      HIS   9  -8.137   6.277  -4.911
   68    HD2  HIS   9           2HD      HIS   9  -4.465   5.663  -3.066
   69    HE1  HIS   9           1HE      HIS   9  -7.301   8.569  -4.300
   70    HE2  HIS   9           2HE      HIS   9  -5.038   8.179  -3.264
   71    H    CYS  10           H        CYS  10  -4.839   1.960  -3.568
   72    HA   CYS  10           HA       CYS  10  -2.426   3.237  -2.956
   73   1HB   CYS  10          2HB       CYS  10  -2.886   0.287  -2.573
   74   2HB   CYS  10          1HB       CYS  10  -1.953   1.387  -1.565
   75    H    ARG  11           H        ARG  11  -3.254   0.963  -5.444
   76    HA   ARG  11           HA       ARG  11  -0.603   0.090  -6.023
   77   1HB   ARG  11          2HB       ARG  11  -2.631  -1.166  -6.694
   78   2HB   ARG  11          1HB       ARG  11  -3.034   0.121  -7.822
   79   1HG   ARG  11          2HG       ARG  11  -1.324  -0.424  -9.267
   80   2HG   ARG  11          1HG       ARG  11  -0.385  -1.239  -8.014
   81   1HD   ARG  11          2HD       ARG  11  -2.231  -2.967  -7.943
   82   2HD   ARG  11          1HD       ARG  11  -2.867  -2.218  -9.407
   83    HE   ARG  11           HE       ARG  11  -1.175  -3.192 -10.606
   84   1HH1  ARG  11          1HH1      ARG  11  -0.424  -3.400  -7.204
   85   2HH1  ARG  11          2HH1      ARG  11   0.935  -4.447  -7.440
   86   1HH2  ARG  11          1HH2      ARG  11   0.612  -4.569 -10.918
   87   2HH2  ARG  11          2HH2      ARG  11   1.524  -5.110  -9.549
   88    H    THR  12           H        THR  12   0.601   2.040  -6.081
   89    HA   THR  12           HA       THR  12   0.235   3.572  -8.571
   90    HB   THR  12           HB       THR  12   1.179   4.594  -5.885
   91    HG1  THR  12           1HG      THR  12  -1.142   4.272  -6.286
   92   1HG2  THR  12          1HG2      THR  12   1.779   5.621  -8.434
   93   2HG2  THR  12          2HG2      THR  12   2.058   6.367  -6.860
   94   3HG2  THR  12          3HG2      THR  12   0.552   6.672  -7.726
   95    H    MET  13           H        MET  13   2.813   3.679  -6.139
   96    HA   MET  13           HA       MET  13   4.670   2.557  -8.118
   97   1HB   MET  13          2HB       MET  13   5.235   4.973  -6.391
   98   2HB   MET  13          1HB       MET  13   6.342   4.235  -7.541
   99   1HG   MET  13          2HG       MET  13   4.733   4.786  -9.351
  100   2HG   MET  13          1HG       MET  13   3.764   5.654  -8.162
  101   1HE   MET  13          1HE       MET  13   5.247   6.583 -10.986
  102   2HE   MET  13          2HE       MET  13   5.752   8.227 -10.593
  103   3HE   MET  13          3HE       MET  13   4.132   7.676 -10.165
  104    H    LYS  14           H        LYS  14   3.295   1.716  -5.499
  105    HA   LYS  14           HA       LYS  14   3.835   0.154  -3.931
  106   1HB   LYS  14          2HB       LYS  14   5.752  -1.023  -4.105
  107   2HB   LYS  14          1HB       LYS  14   5.963  -0.099  -5.583
  108   1HG   LYS  14          2HG       LYS  14   7.171   1.590  -3.966
  109   2HG   LYS  14          1HG       LYS  14   7.357   0.148  -2.971
  110   1HD   LYS  14          2HD       LYS  14   8.357  -1.004  -4.940
  111   2HD   LYS  14          1HD       LYS  14   8.293   0.528  -5.812
  112   1HE   LYS  14          2HE       LYS  14   9.919   1.502  -4.487
  113   2HE   LYS  14          1HE       LYS  14   9.637   0.390  -3.148
  114   1HZ   LYS  14          1HZ       LYS  14  11.310   0.070  -5.504
  115   2HZ   LYS  14          2HZ       LYS  14  10.467  -1.308  -5.005
  116   3HZ   LYS  14          3HZ       LYS  14  11.521  -0.529  -3.936
  117    H    ASN  15           H        ASN  15   3.859   3.192  -3.679
  118    HA   ASN  15           HA       ASN  15   5.609   3.868  -1.568
  119   1HB   ASN  15          2HB       ASN  15   3.950   5.781  -1.257
  120   2HB   ASN  15          1HB       ASN  15   4.734   5.668  -2.825
  121   1HD2  ASN  15          1HD2      ASN  15   3.333   6.333  -4.281
  122   2HD2  ASN  15          2HD2      ASN  15   1.684   5.833  -4.406
  123    H    VAL  16           H        VAL  16   5.249   1.906  -0.267
  124    HA   VAL  16           HA       VAL  16   2.912   1.145   0.967
  125    HB   VAL  16           HB       VAL  16   5.592   1.157   2.338
  126   1HG1  VAL  16          1HG1      VAL  16   2.991  -0.148   2.823
  127   2HG1  VAL  16          2HG1      VAL  16   4.246   0.343   3.960
  128   3HG1  VAL  16          3HG1      VAL  16   4.424  -1.152   3.043
  129   1HG2  VAL  16          1HG2      VAL  16   5.638  -1.236   1.323
  130   2HG2  VAL  16          2HG2      VAL  16   6.127   0.138   0.332
  131   3HG2  VAL  16          3HG2      VAL  16   4.518  -0.560   0.140
  132    H    LEU  17           H        LEU  17   4.994   3.856   1.748
  133    HA   LEU  17           HA       LEU  17   4.052   4.435   4.309
  134   1HB   LEU  17          2HB       LEU  17   5.221   6.115   2.123
  135   2HB   LEU  17          1HB       LEU  17   4.639   6.866   3.597
  136    HG   LEU  17           HG       LEU  17   6.596   4.611   3.775
  137   1HD1  LEU  17          1HD1      LEU  17   8.394   6.382   3.777
  138   2HD1  LEU  17          2HD1      LEU  17   7.210   7.459   3.037
  139   3HD1  LEU  17          3HD1      LEU  17   7.701   5.984   2.204
  140   1HD2  LEU  17          1HD2      LEU  17   5.646   6.860   5.472
  141   2HD2  LEU  17          2HD2      LEU  17   7.302   6.292   5.681
  142   3HD2  LEU  17          3HD2      LEU  17   5.954   5.175   5.894
  143    H    ASN  18           H        ASN  18   2.751   5.162   1.166
  144    HA   ASN  18           HA       ASN  18   0.680   6.895   2.126
  145   1HB   ASN  18          2HB       ASN  18   1.778   6.560  -0.309
  146   2HB   ASN  18          1HB       ASN  18   0.356   5.537  -0.492
  147   1HD2  ASN  18          1HD2      ASN  18   1.280   8.289  -1.489
  148   2HD2  ASN  18          2HD2      ASN  18  -0.115   9.281  -1.257
  149    H    HIS  19           H        HIS  19   0.965   3.505   1.292
  150    HA   HIS  19           HA       HIS  19  -1.831   2.962   1.619
  151   1HB   HIS  19          2HB       HIS  19  -0.792   1.494   0.126
  152   2HB   HIS  19          1HB       HIS  19   0.609   1.276   1.164
  153    HD2  HIS  19           2HD      HIS  19   0.481  -0.797   2.925
  154    HE1  HIS  19           1HE      HIS  19  -3.474  -1.958   1.991
  155    HE2  HIS  19           2HE      HIS  19  -1.425  -2.489   3.384
  156    H    MET  20           H        MET  20   0.881   3.197   3.714
  157    HA   MET  20           HA       MET  20  -0.379   1.617   5.804
  158   1HB   MET  20          2HB       MET  20   2.281   2.955   5.489
  159   2HB   MET  20          1HB       MET  20   1.716   2.515   7.095
  160   1HG   MET  20          2HG       MET  20   1.339   0.179   6.086
  161   2HG   MET  20          1HG       MET  20   2.386   0.741   4.784
  162   1HE   MET  20          1HE       MET  20   3.016  -1.583   5.770
  163   2HE   MET  20          2HE       MET  20   3.751  -1.841   7.352
  164   3HE   MET  20          3HE       MET  20   4.760  -1.410   5.971
  165    H    THR  21           H        THR  21  -1.367   4.322   4.735
  166    HA   THR  21           HA       THR  21  -1.562   5.640   7.338
  167    HB   THR  21           HB       THR  21  -0.879   6.682   4.716
  168    HG1  THR  21           1HG      THR  21  -0.127   8.381   6.013
  169   1HG2  THR  21          1HG2      THR  21  -2.083   8.784   4.834
  170   2HG2  THR  21          2HG2      THR  21  -3.018   8.187   6.205
  171   3HG2  THR  21          3HG2      THR  21  -3.197   7.434   4.621
  172    H    HIS  22           H        HIS  22  -3.257   3.852   5.104
  173    HA   HIS  22           HA       HIS  22  -5.793   4.747   6.253
  174   1HB   HIS  22          2HB       HIS  22  -6.883   4.654   4.009
  175   2HB   HIS  22          1HB       HIS  22  -5.733   5.971   4.195
  176    HD1  HIS  22           1HD      HIS  22  -5.079   6.257   1.798
  177    HD2  HIS  22           2HD      HIS  22  -4.689   2.308   3.057
  178    HE1  HIS  22           1HE      HIS  22  -3.907   5.056  -0.072
  179    HE2  HIS  22           2HE      HIS  22  -3.460   2.760   0.843
  180    H    CYS  23           H        CYS  23  -3.854   2.250   4.854
  181    HA   CYS  23           HA       CYS  23  -6.056   0.345   5.020
  182   1HB   CYS  23          2HB       CYS  23  -3.574   0.619   3.455
  183   2HB   CYS  23          1HB       CYS  23  -3.981  -1.012   3.939
  184    H    GLN  24           H        GLN  24  -5.962  -1.454   6.323
  185    HA   GLN  24           HA       GLN  24  -3.964  -1.364   8.456
  186   1HB   GLN  24          2HB       GLN  24  -5.468  -2.832   9.688
  187   2HB   GLN  24          1HB       GLN  24  -6.338  -1.423   9.098
  188   1HG   GLN  24          2HG       GLN  24  -7.149  -2.808   7.194
  189   2HG   GLN  24          1HG       GLN  24  -6.407  -4.208   7.968
  190   1HE2  GLN  24          1HE2      GLN  24  -9.125  -2.201   7.803
  191   2HE2  GLN  24          2HE2      GLN  24 -10.009  -2.876   9.125
  192    H    ALA  25           H        ALA  25  -3.471  -3.670   9.366
  193    HA   ALA  25           HA       ALA  25  -2.681  -5.812   9.085
  194   1HB   ALA  25          1HB       ALA  25  -3.188  -7.091   7.260
  195   2HB   ALA  25          2HB       ALA  25  -2.941  -5.767   6.122
  196   3HB   ALA  25          3HB       ALA  25  -4.412  -5.832   7.094
  197    H    GLY  26           H        GLY  26  -0.612  -6.574   8.805
  198   1HA   GLY  26          2HA       GLY  26   1.544  -6.620   7.835
  199   2HA   GLY  26          1HA       GLY  26   1.194  -5.090   7.044
  200    H    LYS  27           H        LYS  27   1.195  -6.225  10.426
  201    HA   LYS  27           HA       LYS  27   2.156  -5.381  12.307
  202   1HB   LYS  27          2HB       LYS  27   4.125  -4.605  10.188
  203   2HB   LYS  27          1HB       LYS  27   4.345  -4.018  11.831
  204   1HG   LYS  27          2HG       LYS  27   5.602  -5.928  11.873
  205   2HG   LYS  27          1HG       LYS  27   4.052  -6.538  12.456
  206   1HD   LYS  27          2HD       LYS  27   3.739  -6.837   9.784
  207   2HD   LYS  27          1HD       LYS  27   5.480  -7.082   9.939
  208   1HE   LYS  27          2HE       LYS  27   3.359  -8.547  11.506
  209   2HE   LYS  27          1HE       LYS  27   4.219  -9.188  10.107
  210   1HZ   LYS  27          1HZ       LYS  27   5.350  -8.494  12.758
  211   2HZ   LYS  27          2HZ       LYS  27   6.308  -8.827  11.404
  212   3HZ   LYS  27          3HZ       LYS  27   5.285 -10.020  12.029
  Start of MODEL   15
    1   1H    GLU   1          1HT       GLU   1   0.767  -4.019   4.298
    2   2H    GLU   1          2HT       GLU   1   0.723  -2.304   4.357
    3   3H    GLU   1          3HT       GLU   1   1.980  -3.160   5.153
    4    HA   GLU   1           HA       GLU   1   2.780  -2.201   3.151
    5   1HB   GLU   1          2HB       GLU   1   2.505  -5.163   3.462
    6   2HB   GLU   1          1HB       GLU   1   3.279  -4.539   2.012
    7   1HG   GLU   1          2HG       GLU   1   4.944  -3.406   3.336
    8   2HG   GLU   1          1HG       GLU   1   4.131  -3.889   4.824
    9    H    VAL   2           H        VAL   2   2.495  -1.612   1.091
   10    HA   VAL   2           HA       VAL   2  -0.079  -1.711  -0.050
   11    HB   VAL   2           HB       VAL   2   1.608   0.081  -0.451
   12   1HG1  VAL   2          1HG1      VAL   2   2.828  -1.712  -2.522
   13   2HG1  VAL   2          2HG1      VAL   2   3.465  -1.639  -0.879
   14   3HG1  VAL   2          3HG1      VAL   2   3.434  -0.186  -1.878
   15   1HG2  VAL   2          1HG2      VAL   2   0.016  -1.264  -2.546
   16   2HG2  VAL   2          2HG2      VAL   2   1.170  -0.047  -3.093
   17   3HG2  VAL   2          3HG2      VAL   2  -0.081   0.384  -1.927
   18    H    ARG   3           H        ARG   3   2.876  -3.536  -0.687
   19    HA   ARG   3           HA       ARG   3   2.118  -4.841  -3.021
   20   1HB   ARG   3          2HB       ARG   3   4.335  -4.867  -1.495
   21   2HB   ARG   3          1HB       ARG   3   3.651  -6.422  -1.038
   22   1HG   ARG   3          2HG       ARG   3   4.929  -7.072  -2.799
   23   2HG   ARG   3          1HG       ARG   3   3.431  -6.698  -3.653
   24   1HD   ARG   3          2HD       ARG   3   4.306  -4.446  -4.143
   25   2HD   ARG   3          1HD       ARG   3   5.817  -4.879  -3.346
   26    HE   ARG   3           HE       ARG   3   5.110  -6.694  -5.443
   27   1HH1  ARG   3          1HH1      ARG   3   6.608  -3.619  -4.752
   28   2HH1  ARG   3          2HH1      ARG   3   7.585  -3.632  -6.181
   29   1HH2  ARG   3          1HH2      ARG   3   6.394  -6.713  -7.324
   30   2HH2  ARG   3          2HH2      ARG   3   7.463  -5.388  -7.642
   31    H    ALA   4           H        ALA   4   0.995  -5.288   0.213
   32    HA   ALA   4           HA       ALA   4  -0.234  -7.852  -0.483
   33   1HB   ALA   4          1HB       ALA   4  -0.230  -8.401   1.714
   34   2HB   ALA   4          2HB       ALA   4  -0.551  -6.749   2.240
   35   3HB   ALA   4          3HB       ALA   4   1.077  -7.219   1.752
   36    H    CYS   5           H        CYS   5  -1.023  -4.679  -0.717
   37    HA   CYS   5           HA       CYS   5  -3.690  -4.727   0.313
   38   1HB   CYS   5          2HB       CYS   5  -2.238  -2.657  -0.062
   39   2HB   CYS   5          1HB       CYS   5  -2.663  -2.801  -1.761
   40    H    SER   6           H        SER   6  -5.610  -4.397  -1.052
   41    HA   SER   6           HA       SER   6  -5.399  -5.854  -3.603
   42   1HB   SER   6          2HB       SER   6  -6.559  -7.260  -2.031
   43   2HB   SER   6          1HB       SER   6  -7.606  -5.930  -1.536
   44    HG   SER   6           HG       SER   6  -7.607  -7.394  -3.942
   45    H    LEU   7           H        LEU   7  -5.465  -2.879  -2.758
   46    HA   LEU   7           HA       LEU   7  -7.814  -2.068  -4.330
   47   1HB   LEU   7          2HB       LEU   7  -6.062  -0.446  -2.483
   48   2HB   LEU   7          1HB       LEU   7  -7.434   0.178  -3.375
   49    HG   LEU   7           HG       LEU   7  -8.100  -2.136  -1.712
   50   1HD1  LEU   7          1HD1      LEU   7  -7.065  -1.540   0.160
   51   2HD1  LEU   7          2HD1      LEU   7  -8.067  -0.089   0.179
   52   3HD1  LEU   7          3HD1      LEU   7  -6.471  -0.049  -0.570
   53   1HD2  LEU   7          1HD2      LEU   7  -9.687  -0.612  -2.906
   54   2HD2  LEU   7          2HD2      LEU   7  -9.237   0.652  -1.762
   55   3HD2  LEU   7          3HD2      LEU   7 -10.017  -0.821  -1.186
   56    HA   PRO   8           HA       PRO   8  -5.130  -0.808  -7.623
   57   1HB   PRO   8          2HB       PRO   8  -6.806   0.744  -9.026
   58   2HB   PRO   8          1HB       PRO   8  -7.050  -1.003  -8.902
   59   1HG   PRO   8          2HG       PRO   8  -8.407   1.211  -7.415
   60   2HG   PRO   8          1HG       PRO   8  -9.107  -0.256  -8.120
   61   1HD   PRO   8          2HD       PRO   8  -8.496   0.029  -5.458
   62   2HD   PRO   8          1HD       PRO   8  -8.568  -1.531  -6.299
   63    H    HIS   9           H        HIS   9  -6.456   1.401  -5.356
   64    HA   HIS   9           HA       HIS   9  -5.302   3.795  -6.424
   65   1HB   HIS   9          2HB       HIS   9  -7.298   3.668  -4.851
   66   2HB   HIS   9          1HB       HIS   9  -6.149   3.311  -3.564
   67    HD1  HIS   9           1HD      HIS   9  -7.730   6.083  -5.291
   68    HD2  HIS   9           2HD      HIS   9  -4.205   5.473  -3.176
   69    HE1  HIS   9           1HE      HIS   9  -6.907   8.380  -4.680
   70    HE2  HIS   9           2HE      HIS   9  -4.820   7.982  -3.325
   71    H    CYS  10           H        CYS  10  -4.546   1.697  -3.672
   72    HA   CYS  10           HA       CYS  10  -2.161   3.018  -2.947
   73   1HB   CYS  10          2HB       CYS  10  -2.695   0.109  -2.408
   74   2HB   CYS  10          1HB       CYS  10  -1.823   1.266  -1.411
   75    H    ARG  11           H        ARG  11  -2.878   0.918  -5.534
   76    HA   ARG  11           HA       ARG  11  -0.177  -0.098  -5.807
   77   1HB   ARG  11          2HB       ARG  11  -2.153  -1.471  -6.412
   78   2HB   ARG  11          1HB       ARG  11  -2.517  -0.335  -7.704
   79   1HG   ARG  11          2HG       ARG  11  -0.873  -1.116  -9.042
   80   2HG   ARG  11          1HG       ARG  11   0.204  -1.481  -7.691
   81   1HD   ARG  11          2HD       ARG  11  -0.896  -3.510  -7.229
   82   2HD   ARG  11          1HD       ARG  11  -2.284  -3.077  -8.226
   83    HE   ARG  11           HE       ARG  11   0.189  -4.245  -9.108
   84   1HH1  ARG  11          1HH1      ARG  11  -2.577  -2.344 -10.063
   85   2HH1  ARG  11          2HH1      ARG  11  -2.440  -2.757 -11.739
   86   1HH2  ARG  11          1HH2      ARG  11   0.372  -4.789 -11.312
   87   2HH2  ARG  11          2HH2      ARG  11  -0.766  -4.145 -12.448
   88    H    THR  12           H        THR  12  -0.750   2.839  -5.970
   89    HA   THR  12           HA       THR  12  -0.479   3.709  -8.641
   90    HB   THR  12           HB       THR  12   0.323   5.073  -6.062
   91    HG1  THR  12           1HG      THR  12  -1.736   5.273  -5.830
   92   1HG2  THR  12          1HG2      THR  12   0.629   5.929  -8.787
   93   2HG2  THR  12          2HG2      THR  12   1.138   6.717  -7.293
   94   3HG2  THR  12          3HG2      THR  12  -0.490   6.979  -7.919
   95    H    MET  13           H        MET  13   1.994   4.143  -6.127
   96    HA   MET  13           HA       MET  13   4.027   3.327  -8.094
   97   1HB   MET  13          2HB       MET  13   4.241   5.503  -6.007
   98   2HB   MET  13          1HB       MET  13   5.549   4.974  -7.056
   99   1HG   MET  13          2HG       MET  13   3.689   5.545  -8.902
  100   2HG   MET  13          1HG       MET  13   3.221   6.680  -7.637
  101   1HE   MET  13          1HE       MET  13   5.470   5.531 -10.237
  102   2HE   MET  13          2HE       MET  13   6.752   6.730 -10.417
  103   3HE   MET  13          3HE       MET  13   5.104   7.120 -10.910
  104    H    LYS  14           H        LYS  14   2.545   2.316  -5.415
  105    HA   LYS  14           HA       LYS  14   3.036   0.593  -4.008
  106   1HB   LYS  14          2HB       LYS  14   4.817  -0.738  -4.403
  107   2HB   LYS  14          1HB       LYS  14   5.006   0.266  -5.830
  108   1HG   LYS  14          2HG       LYS  14   6.484   1.717  -4.199
  109   2HG   LYS  14          1HG       LYS  14   6.611   0.187  -3.333
  110   1HD   LYS  14          2HD       LYS  14   7.193  -0.794  -5.664
  111   2HD   LYS  14          1HD       LYS  14   7.536   0.883  -6.094
  112   1HE   LYS  14          2HE       LYS  14   9.576  -0.172  -5.383
  113   2HE   LYS  14          1HE       LYS  14   9.089   1.008  -4.167
  114   1HZ   LYS  14          1HZ       LYS  14   9.857  -1.245  -3.346
  115   2HZ   LYS  14          2HZ       LYS  14   8.392  -1.856  -3.928
  116   3HZ   LYS  14          3HZ       LYS  14   8.393  -0.672  -2.721
  117    H    ASN  15           H        ASN  15   3.300   3.554  -3.511
  118    HA   ASN  15           HA       ASN  15   5.273   3.987  -1.549
  119   1HB   ASN  15          2HB       ASN  15   3.721   5.908  -0.896
  120   2HB   ASN  15          1HB       ASN  15   4.338   5.915  -2.540
  121   1HD2  ASN  15          1HD2      ASN  15   2.828   6.721  -3.801
  122   2HD2  ASN  15          2HD2      ASN  15   1.156   6.286  -3.791
  123    H    VAL  16           H        VAL  16   5.032   1.982  -0.351
  124    HA   VAL  16           HA       VAL  16   2.898   1.019   1.023
  125    HB   VAL  16           HB       VAL  16   5.636   1.247   2.253
  126   1HG1  VAL  16          1HG1      VAL  16   3.193  -0.269   2.865
  127   2HG1  VAL  16          2HG1      VAL  16   4.510   0.240   3.922
  128   3HG1  VAL  16          3HG1      VAL  16   4.692  -1.196   2.914
  129   1HG2  VAL  16          1HG2      VAL  16   5.597  -1.206   1.114
  130   2HG2  VAL  16          2HG2      VAL  16   6.315   0.220   0.367
  131   3HG2  VAL  16          3HG2      VAL  16   4.681  -0.277  -0.073
  132    H    LEU  17           H        LEU  17   4.983   3.696   2.083
  133    HA   LEU  17           HA       LEU  17   3.859   4.086   4.599
  134   1HB   LEU  17          2HB       LEU  17   4.934   6.235   2.784
  135   2HB   LEU  17          1HB       LEU  17   4.811   6.303   4.530
  136    HG   LEU  17           HG       LEU  17   6.452   4.117   3.367
  137   1HD1  LEU  17          1HD1      LEU  17   8.273   5.415   2.807
  138   2HD1  LEU  17          2HD1      LEU  17   7.694   6.809   3.718
  139   3HD1  LEU  17          3HD1      LEU  17   6.935   6.381   2.185
  140   1HD2  LEU  17          1HD2      LEU  17   6.259   5.688   5.866
  141   2HD2  LEU  17          2HD2      LEU  17   7.866   5.141   5.386
  142   3HD2  LEU  17          3HD2      LEU  17   6.570   3.969   5.625
  143    H    ASN  18           H        ASN  18   2.831   5.164   1.453
  144    HA   ASN  18           HA       ASN  18   0.776   6.907   2.427
  145   1HB   ASN  18          2HB       ASN  18   1.987   6.369  -0.075
  146   2HB   ASN  18          1HB       ASN  18   0.267   6.047  -0.265
  147   1HD2  ASN  18          1HD2      ASN  18   2.005   8.199  -1.309
  148   2HD2  ASN  18          2HD2      ASN  18   1.243   9.672  -0.828
  149    H    HIS  19           H        HIS  19   1.017   3.547   1.580
  150    HA   HIS  19           HA       HIS  19  -1.802   3.102   1.397
  151   1HB   HIS  19          2HB       HIS  19  -0.688   1.505   0.176
  152   2HB   HIS  19          1HB       HIS  19   0.646   1.410   1.316
  153    HD2  HIS  19           2HD      HIS  19   0.531  -0.634   3.085
  154    HE1  HIS  19           1HE      HIS  19  -3.395  -1.884   2.147
  155    HE2  HIS  19           2HE      HIS  19  -1.355  -2.338   3.579
  156    H    MET  20           H        MET  20   0.634   2.049   3.793
  157    HA   MET  20           HA       MET  20  -1.157   1.021   5.652
  158   1HB   MET  20          2HB       MET  20   1.629   2.072   5.806
  159   2HB   MET  20          1HB       MET  20   0.770   1.770   7.310
  160   1HG   MET  20          2HG       MET  20   0.278  -0.536   6.022
  161   2HG   MET  20          1HG       MET  20   1.842  -0.118   5.325
  162   1HE   MET  20          1HE       MET  20   3.658  -1.406   6.145
  163   2HE   MET  20          2HE       MET  20   4.271  -1.312   7.796
  164   3HE   MET  20          3HE       MET  20   4.116   0.154   6.828
  165    H    THR  21           H        THR  21  -0.474   4.300   4.870
  166    HA   THR  21           HA       THR  21  -1.181   5.536   7.290
  167    HB   THR  21           HB       THR  21  -0.124   6.466   5.061
  168    HG1  THR  21           1HG      THR  21  -0.100   8.166   6.258
  169   1HG2  THR  21          1HG2      THR  21  -1.441   7.448   3.518
  170   2HG2  THR  21          2HG2      THR  21  -2.742   7.765   4.666
  171   3HG2  THR  21          3HG2      THR  21  -2.537   6.149   3.990
  172    H    HIS  22           H        HIS  22  -3.081   4.103   4.785
  173    HA   HIS  22           HA       HIS  22  -5.525   4.948   6.204
  174   1HB   HIS  22          2HB       HIS  22  -6.706   4.898   4.011
  175   2HB   HIS  22          1HB       HIS  22  -5.477   6.152   4.125
  176    HD1  HIS  22           1HD      HIS  22  -4.923   6.360   1.690
  177    HD2  HIS  22           2HD      HIS  22  -4.663   2.425   3.025
  178    HE1  HIS  22           1HE      HIS  22  -3.880   5.067  -0.196
  179    HE2  HIS  22           2HE      HIS  22  -3.499   2.776   0.760
  180    H    CYS  23           H        CYS  23  -3.698   2.362   4.901
  181    HA   CYS  23           HA       CYS  23  -5.974   0.543   5.070
  182   1HB   CYS  23          2HB       CYS  23  -3.476   0.695   3.515
  183   2HB   CYS  23          1HB       CYS  23  -3.940  -0.909   4.037
  184    H    GLN  24           H        GLN  24  -6.189  -0.539   6.916
  185    HA   GLN  24           HA       GLN  24  -4.108  -0.693   8.862
  186   1HB   GLN  24          2HB       GLN  24  -5.702  -1.974  10.185
  187   2HB   GLN  24          1HB       GLN  24  -6.484  -0.563   9.486
  188   1HG   GLN  24          2HG       GLN  24  -7.650  -1.853   7.913
  189   2HG   GLN  24          1HG       GLN  24  -6.631  -3.264   8.193
  190   1HE2  GLN  24          1HE2      GLN  24  -9.328  -3.529   8.253
  191   2HE2  GLN  24          2HE2      GLN  24  -9.866  -3.814   9.870
  192    H    ALA  25           H        ALA  25  -4.071  -3.105   9.952
  193    HA   ALA  25           HA       ALA  25  -2.718  -4.969   9.790
  194   1HB   ALA  25          1HB       ALA  25  -5.119  -5.413   8.072
  195   2HB   ALA  25          2HB       ALA  25  -4.729  -6.086   9.655
  196   3HB   ALA  25          3HB       ALA  25  -3.893  -6.673   8.217
  197    H    GLY  26           H        GLY  26  -0.769  -4.242   8.919
  198   1HA   GLY  26          2HA       GLY  26  -0.405  -4.917   6.069
  199   2HA   GLY  26          1HA       GLY  26   0.267  -3.436   6.735
  200    H    LYS  27           H        LYS  27   1.210  -4.367   9.180
  201    HA   LYS  27           HA       LYS  27   3.070  -6.528   8.508
  202   1HB   LYS  27          2HB       LYS  27   4.226  -4.426   7.977
  203   2HB   LYS  27          1HB       LYS  27   3.915  -3.841   9.606
  204   1HG   LYS  27          2HG       LYS  27   6.169  -4.599   9.507
  205   2HG   LYS  27          1HG       LYS  27   5.251  -5.753  10.477
  206   1HD   LYS  27          2HD       LYS  27   4.984  -6.833   8.006
  207   2HD   LYS  27          1HD       LYS  27   6.583  -6.099   7.876
  208   1HE   LYS  27          2HE       LYS  27   5.687  -8.019  10.023
  209   2HE   LYS  27          1HE       LYS  27   6.715  -8.418   8.648
  210   1HZ   LYS  27          1HZ       LYS  27   7.673  -7.750  11.020
  211   2HZ   LYS  27          2HZ       LYS  27   7.595  -6.210  10.327
  212   3HZ   LYS  27          3HZ       LYS  27   8.499  -7.428   9.579
  Start of MODEL   16
    1   1H    GLU   1          1HT       GLU   1   0.616  -4.045   3.574
    2   2H    GLU   1          2HT       GLU   1   0.855  -2.416   4.059
    3   3H    GLU   1          3HT       GLU   1   1.982  -3.625   4.521
    4    HA   GLU   1           HA       GLU   1   2.656  -2.137   2.674
    5   1HB   GLU   1          2HB       GLU   1   2.592  -5.131   2.642
    6   2HB   GLU   1          1HB       GLU   1   3.314  -4.277   1.285
    7   1HG   GLU   1          2HG       GLU   1   4.572  -3.019   3.261
    8   2HG   GLU   1          1HG       GLU   1   4.249  -4.548   4.077
    9    H    VAL   2           H        VAL   2   2.194  -1.288   0.754
   10    HA   VAL   2           HA       VAL   2  -0.372  -1.468  -0.343
   11    HB   VAL   2           HB       VAL   2   1.229   0.442  -0.611
   12   1HG1  VAL   2          1HG1      VAL   2   3.057   0.383  -1.959
   13   2HG1  VAL   2          2HG1      VAL   2   2.375  -0.846  -3.023
   14   3HG1  VAL   2          3HG1      VAL   2   3.036  -1.307  -1.454
   15   1HG2  VAL   2          1HG2      VAL   2  -0.828  -0.370  -2.213
   16   2HG2  VAL   2          2HG2      VAL   2   0.470  -0.124  -3.381
   17   3HG2  VAL   2          3HG2      VAL   2  -0.019   1.194  -2.316
   18    H    ARG   3           H        ARG   3   2.582  -3.202  -1.066
   19    HA   ARG   3           HA       ARG   3   1.851  -4.279  -3.556
   20   1HB   ARG   3          2HB       ARG   3   4.148  -4.340  -2.702
   21   2HB   ARG   3          1HB       ARG   3   3.654  -5.444  -1.426
   22   1HG   ARG   3          2HG       ARG   3   3.477  -7.230  -2.845
   23   2HG   ARG   3          1HG       ARG   3   3.153  -6.218  -4.254
   24   1HD   ARG   3          2HD       ARG   3   5.813  -6.118  -2.885
   25   2HD   ARG   3          1HD       ARG   3   5.450  -7.400  -4.039
   26    HE   ARG   3           HE       ARG   3   4.899  -4.766  -5.041
   27   1HH1  ARG   3          1HH1      ARG   3   7.366  -7.197  -4.614
   28   2HH1  ARG   3          2HH1      ARG   3   8.344  -6.613  -5.918
   29   1HH2  ARG   3          1HH2      ARG   3   6.184  -3.996  -6.757
   30   2HH2  ARG   3          2HH2      ARG   3   7.674  -4.795  -7.134
   31    H    ALA   4           H        ALA   4   1.003  -5.159  -0.293
   32    HA   ALA   4           HA       ALA   4  -0.233  -7.648  -1.191
   33   1HB   ALA   4          1HB       ALA   4  -0.185  -8.375   0.973
   34   2HB   ALA   4          2HB       ALA   4  -0.384  -6.754   1.639
   35   3HB   ALA   4          3HB       ALA   4   1.180  -7.259   0.998
   36    H    CYS   5           H        CYS   5  -1.133  -4.520  -1.168
   37    HA   CYS   5           HA       CYS   5  -3.726  -4.694   0.023
   38   1HB   CYS   5          2HB       CYS   5  -2.374  -2.570  -0.310
   39   2HB   CYS   5          1HB       CYS   5  -2.836  -2.648  -2.003
   40    H    SER   6           H        SER   6  -5.741  -4.373  -1.193
   41    HA   SER   6           HA       SER   6  -5.656  -5.718  -3.812
   42   1HB   SER   6          2HB       SER   6  -8.124  -6.306  -3.135
   43   2HB   SER   6          1HB       SER   6  -6.786  -7.259  -2.493
   44    HG   SER   6           HG       SER   6  -8.473  -5.462  -1.210
   45    H    LEU   7           H        LEU   7  -5.676  -2.774  -2.908
   46    HA   LEU   7           HA       LEU   7  -8.127  -1.932  -4.297
   47   1HB   LEU   7          2HB       LEU   7  -6.250  -0.359  -2.531
   48   2HB   LEU   7          1HB       LEU   7  -7.661   0.301  -3.331
   49    HG   LEU   7           HG       LEU   7  -8.227  -2.043  -1.655
   50   1HD1  LEU   7          1HD1      LEU   7  -7.150  -1.412   0.179
   51   2HD1  LEU   7          2HD1      LEU   7  -8.145   0.044   0.206
   52   3HD1  LEU   7          3HD1      LEU   7  -6.577   0.063  -0.601
   53   1HD2  LEU   7          1HD2      LEU   7  -9.427   0.718  -1.653
   54   2HD2  LEU   7          2HD2      LEU   7 -10.152  -0.778  -1.063
   55   3HD2  LEU   7          3HD2      LEU   7  -9.891  -0.546  -2.792
   56    HA   PRO   8           HA       PRO   8  -5.661  -0.613  -7.736
   57   1HB   PRO   8          2HB       PRO   8  -7.440   0.925  -9.020
   58   2HB   PRO   8          1HB       PRO   8  -7.655  -0.825  -8.894
   59   1HG   PRO   8          2HG       PRO   8  -8.947   1.361  -7.312
   60   2HG   PRO   8          1HG       PRO   8  -9.668  -0.114  -7.981
   61   1HD   PRO   8          2HD       PRO   8  -8.891   0.175  -5.359
   62   2HD   PRO   8          1HD       PRO   8  -9.008  -1.385  -6.198
   63    H    HIS   9           H        HIS   9  -6.749   1.494  -5.298
   64    HA   HIS   9           HA       HIS   9  -5.723   3.934  -6.439
   65   1HB   HIS   9          2HB       HIS   9  -7.635   3.783  -4.767
   66   2HB   HIS   9          1HB       HIS   9  -6.419   3.423  -3.544
   67    HD1  HIS   9           1HD      HIS   9  -8.107   6.198  -5.160
   68    HD2  HIS   9           2HD      HIS   9  -4.467   5.595  -3.247
   69    HE1  HIS   9           1HE      HIS   9  -7.267   8.495  -4.577
   70    HE2  HIS   9           2HE      HIS   9  -5.106   8.101  -3.343
   71    H    CYS  10           H        CYS  10  -4.826   1.852  -3.715
   72    HA   CYS  10           HA       CYS  10  -2.425   3.169  -3.088
   73   1HB   CYS  10          2HB       CYS  10  -2.889   0.234  -2.615
   74   2HB   CYS  10          1HB       CYS  10  -1.981   1.371  -1.626
   75    H    ARG  11           H        ARG  11  -3.221   0.768  -5.478
   76    HA   ARG  11           HA       ARG  11  -0.551  -0.084  -6.004
   77   1HB   ARG  11          2HB       ARG  11  -2.852  -1.181  -6.634
   78   2HB   ARG  11          1HB       ARG  11  -2.710  -0.186  -8.077
   79   1HG   ARG  11          2HG       ARG  11  -0.524  -1.227  -8.543
   80   2HG   ARG  11          1HG       ARG  11  -0.751  -2.271  -7.138
   81   1HD   ARG  11          2HD       ARG  11  -3.089  -2.631  -8.510
   82   2HD   ARG  11          1HD       ARG  11  -1.922  -2.431  -9.816
   83    HE   ARG  11           HE       ARG  11  -2.233  -4.708  -8.183
   84   1HH1  ARG  11          1HH1      ARG  11   0.253  -2.742  -9.644
   85   2HH1  ARG  11          2HH1      ARG  11   1.396  -4.039  -9.742
   86   1HH2  ARG  11          1HH2      ARG  11  -0.731  -6.415  -8.311
   87   2HH2  ARG  11          2HH2      ARG  11   0.837  -6.125  -8.986
   88    H    THR  12           H        THR  12   0.614   1.883  -6.166
   89    HA   THR  12           HA       THR  12   0.222   3.272  -8.735
   90    HB   THR  12           HB       THR  12   1.144   4.458  -6.110
   91    HG1  THR  12           1HG      THR  12  -0.808   5.278  -5.966
   92   1HG2  THR  12          1HG2      THR  12   0.478   6.457  -7.981
   93   2HG2  THR  12          2HG2      THR  12   1.633   5.372  -8.755
   94   3HG2  THR  12          3HG2      THR  12   2.037   6.142  -7.220
   95    H    MET  13           H        MET  13   2.790   3.560  -6.307
   96    HA   MET  13           HA       MET  13   4.678   2.404  -8.240
   97   1HB   MET  13          2HB       MET  13   5.237   4.839  -6.542
   98   2HB   MET  13          1HB       MET  13   6.306   4.121  -7.739
   99   1HG   MET  13          2HG       MET  13   4.939   4.818  -9.526
  100   2HG   MET  13          1HG       MET  13   3.607   5.226  -8.445
  101   1HE   MET  13          1HE       MET  13   5.646   6.992 -10.801
  102   2HE   MET  13          2HE       MET  13   5.135   8.555 -10.164
  103   3HE   MET  13          3HE       MET  13   3.953   7.265 -10.388
  104    H    LYS  14           H        LYS  14   3.294   1.622  -5.592
  105    HA   LYS  14           HA       LYS  14   3.847   0.095  -3.992
  106   1HB   LYS  14          2HB       LYS  14   5.779  -1.062  -4.128
  107   2HB   LYS  14          1HB       LYS  14   5.985  -0.172  -5.627
  108   1HG   LYS  14          2HG       LYS  14   7.165   1.571  -4.050
  109   2HG   LYS  14          1HG       LYS  14   7.363   0.158  -3.015
  110   1HD   LYS  14          2HD       LYS  14   8.120  -0.844  -5.423
  111   2HD   LYS  14          1HD       LYS  14   8.658   0.830  -5.565
  112   1HE   LYS  14          2HE       LYS  14   9.269  -0.627  -3.049
  113   2HE   LYS  14          1HE       LYS  14  10.186  -1.053  -4.493
  114   1HZ   LYS  14          1HZ       LYS  14  11.195   0.968  -4.563
  115   2HZ   LYS  14          2HZ       LYS  14  10.961   0.858  -2.892
  116   3HZ   LYS  14          3HZ       LYS  14   9.905   1.785  -3.834
  117    H    ASN  15           H        ASN  15   3.840   3.141  -3.813
  118    HA   ASN  15           HA       ASN  15   5.570   3.880  -1.705
  119   1HB   ASN  15          2HB       ASN  15   3.893   5.787  -1.453
  120   2HB   ASN  15          1HB       ASN  15   4.692   5.644  -3.011
  121   1HD2  ASN  15          1HD2      ASN  15   3.318   6.209  -4.528
  122   2HD2  ASN  15          2HD2      ASN  15   1.666   5.715  -4.643
  123    H    VAL  16           H        VAL  16   5.210   1.943  -0.364
  124    HA   VAL  16           HA       VAL  16   2.861   1.208   0.871
  125    HB   VAL  16           HB       VAL  16   5.535   1.231   2.253
  126   1HG1  VAL  16          1HG1      VAL  16   2.944  -0.155   2.689
  127   2HG1  VAL  16          2HG1      VAL  16   4.083   0.509   3.861
  128   3HG1  VAL  16          3HG1      VAL  16   4.432  -1.024   3.062
  129   1HG2  VAL  16          1HG2      VAL  16   5.475  -1.217   1.260
  130   2HG2  VAL  16          2HG2      VAL  16   6.143   0.133   0.344
  131   3HG2  VAL  16          3HG2      VAL  16   4.505  -0.430   0.016
  132    H    LEU  17           H        LEU  17   4.941   3.932   1.594
  133    HA   LEU  17           HA       LEU  17   4.012   4.563   4.147
  134   1HB   LEU  17          2HB       LEU  17   5.256   6.111   1.931
  135   2HB   LEU  17          1HB       LEU  17   4.539   7.004   3.258
  136    HG   LEU  17           HG       LEU  17   6.473   4.823   3.893
  137   1HD1  LEU  17          1HD1      LEU  17   8.229   6.728   3.809
  138   2HD1  LEU  17          2HD1      LEU  17   7.132   7.452   2.632
  139   3HD1  LEU  17          3HD1      LEU  17   7.823   5.858   2.329
  140   1HD2  LEU  17          1HD2      LEU  17   6.455   7.475   5.206
  141   2HD2  LEU  17          2HD2      LEU  17   6.651   5.865   5.899
  142   3HD2  LEU  17          3HD2      LEU  17   5.045   6.446   5.458
  143    H    ASN  18           H        ASN  18   2.689   5.214   0.997
  144    HA   ASN  18           HA       ASN  18   0.617   6.960   1.929
  145   1HB   ASN  18          2HB       ASN  18   1.702   6.570  -0.505
  146   2HB   ASN  18          1HB       ASN  18   0.279   5.543  -0.655
  147   1HD2  ASN  18          1HD2      ASN  18   1.197   8.272  -1.720
  148   2HD2  ASN  18          2HD2      ASN  18  -0.196   9.270  -1.502
  149    H    HIS  19           H        HIS  19   0.893   3.557   1.124
  150    HA   HIS  19           HA       HIS  19  -1.891   3.008   1.490
  151   1HB   HIS  19          2HB       HIS  19  -0.842   1.513   0.028
  152   2HB   HIS  19          1HB       HIS  19   0.555   1.319   1.075
  153    HD2  HIS  19           2HD      HIS  19   0.424  -0.719   2.876
  154    HE1  HIS  19           1HE      HIS  19  -3.529  -1.899   1.959
  155    HE2  HIS  19           2HE      HIS  19  -1.360  -2.586   3.085
  156    H    MET  20           H        MET  20   0.821   3.308   3.576
  157    HA   MET  20           HA       MET  20  -0.432   1.772   5.705
  158   1HB   MET  20          2HB       MET  20   2.235   3.035   5.290
  159   2HB   MET  20          1HB       MET  20   1.685   2.797   6.942
  160   1HG   MET  20          2HG       MET  20   1.653   0.553   4.964
  161   2HG   MET  20          1HG       MET  20   3.119   0.978   5.846
  162   1HE   MET  20          1HE       MET  20   3.128  -1.367   8.245
  163   2HE   MET  20          2HE       MET  20   3.025   0.187   9.073
  164   3HE   MET  20          3HE       MET  20   3.836   0.072   7.511
  165    H    THR  21           H        THR  21  -1.440   4.437   4.574
  166    HA   THR  21           HA       THR  21  -1.636   5.821   7.142
  167    HB   THR  21           HB       THR  21  -0.939   6.802   4.502
  168    HG1  THR  21           1HG      THR  21  -0.974   8.014   7.063
  169   1HG2  THR  21          1HG2      THR  21  -3.080   8.351   5.944
  170   2HG2  THR  21          2HG2      THR  21  -3.263   7.549   4.384
  171   3HG2  THR  21          3HG2      THR  21  -2.144   8.902   4.555
  172    H    HIS  22           H        HIS  22  -3.322   3.977   4.953
  173    HA   HIS  22           HA       HIS  22  -5.862   4.900   6.068
  174   1HB   HIS  22          2HB       HIS  22  -6.945   4.757   3.823
  175   2HB   HIS  22          1HB       HIS  22  -5.795   6.078   3.983
  176    HD1  HIS  22           1HD      HIS  22  -5.131   6.312   1.584
  177    HD2  HIS  22           2HD      HIS  22  -4.752   2.390   2.927
  178    HE1  HIS  22           1HE      HIS  22  -3.956   5.069  -0.257
  179    HE2  HIS  22           2HE      HIS  22  -3.516   2.792   0.708
  180    H    CYS  23           H        CYS  23  -3.919   2.374   4.727
  181    HA   CYS  23           HA       CYS  23  -6.119   0.472   4.931
  182   1HB   CYS  23          2HB       CYS  23  -3.634   0.714   3.367
  183   2HB   CYS  23          1HB       CYS  23  -4.041  -0.907   3.884
  184    H    GLN  24           H        GLN  24  -5.032  -1.844   5.494
  185    HA   GLN  24           HA       GLN  24  -3.155  -1.671   7.690
  186   1HB   GLN  24          2HB       GLN  24  -4.643  -2.707   9.331
  187   2HB   GLN  24          1HB       GLN  24  -5.277  -1.156   8.800
  188   1HG   GLN  24          2HG       GLN  24  -6.873  -2.251   7.363
  189   2HG   GLN  24          1HG       GLN  24  -6.188  -3.827   7.757
  190   1HE2  GLN  24          1HE2      GLN  24  -8.032  -1.120   8.964
  191   2HE2  GLN  24          2HE2      GLN  24  -8.728  -1.943  10.314
  192    H    ALA  25           H        ALA  25  -3.214  -4.045   8.794
  193    HA   ALA  25           HA       ALA  25  -3.022  -6.325   8.556
  194   1HB   ALA  25          1HB       ALA  25  -4.073  -7.458   6.902
  195   2HB   ALA  25          2HB       ALA  25  -3.488  -6.379   5.636
  196   3HB   ALA  25          3HB       ALA  25  -4.848  -5.894   6.649
  197    H    GLY  26           H        GLY  26  -0.803  -5.694   8.979
  198   1HA   GLY  26          2HA       GLY  26   1.109  -6.961   7.571
  199   2HA   GLY  26          1HA       GLY  26   0.989  -5.430   6.717
  200    H    LYS  27           H        LYS  27   0.761  -6.147  10.188
  201    HA   LYS  27           HA       LYS  27   1.922  -5.365  11.980
  202   1HB   LYS  27          2HB       LYS  27   3.796  -6.375  10.344
  203   2HB   LYS  27          1HB       LYS  27   4.326  -4.698  10.373
  204   1HG   LYS  27          2HG       LYS  27   4.988  -4.798  12.531
  205   2HG   LYS  27          1HG       LYS  27   3.715  -5.933  12.985
  206   1HD   LYS  27          2HD       LYS  27   5.777  -6.952  11.130
  207   2HD   LYS  27          1HD       LYS  27   6.307  -6.616  12.780
  208   1HE   LYS  27          2HE       LYS  27   5.081  -8.302  13.659
  209   2HE   LYS  27          1HE       LYS  27   3.763  -8.087  12.507
  210   1HZ   LYS  27          1HZ       LYS  27   5.069 -10.202  12.298
  211   2HZ   LYS  27          2HZ       LYS  27   6.372  -9.272  11.753
  212   3HZ   LYS  27          3HZ       LYS  27   4.927  -9.298  10.875
  Start of MODEL   17
    1   1H    GLU   1          1HT       GLU   1   0.392  -3.973   3.494
    2   2H    GLU   1          2HT       GLU   1   0.636  -2.334   3.943
    3   3H    GLU   1          3HT       GLU   1   1.752  -3.539   4.442
    4    HA   GLU   1           HA       GLU   1   2.503  -2.135   2.595
    5   1HB   GLU   1          2HB       GLU   1   2.286  -5.108   2.605
    6   2HB   GLU   1          1HB       GLU   1   2.948  -4.346   1.166
    7   1HG   GLU   1          2HG       GLU   1   4.753  -3.424   2.356
    8   2HG   GLU   1          1HG       GLU   1   3.996  -3.757   3.913
    9    H    VAL   2           H        VAL   2   2.154  -1.302   0.630
   10    HA   VAL   2           HA       VAL   2  -0.447  -1.302  -0.451
   11    HB   VAL   2           HB       VAL   2   1.218   0.547  -0.669
   12   1HG1  VAL   2          1HG1      VAL   2   2.950  -1.306  -1.549
   13   2HG1  VAL   2          2HG1      VAL   2   3.105   0.415  -1.900
   14   3HG1  VAL   2          3HG1      VAL   2   2.384  -0.666  -3.092
   15   1HG2  VAL   2          1HG2      VAL   2   0.509   0.047  -3.466
   16   2HG2  VAL   2          2HG2      VAL   2   0.042   1.367  -2.394
   17   3HG2  VAL   2          3HG2      VAL   2  -0.825  -0.167  -2.333
   18    H    ARG   3           H        ARG   3   2.410  -3.184  -1.158
   19    HA   ARG   3           HA       ARG   3   1.595  -4.173  -3.682
   20   1HB   ARG   3          2HB       ARG   3   3.929  -4.231  -2.559
   21   2HB   ARG   3          1HB       ARG   3   3.356  -5.703  -1.788
   22   1HG   ARG   3          2HG       ARG   3   3.219  -6.855  -3.801
   23   2HG   ARG   3          1HG       ARG   3   3.211  -5.372  -4.758
   24   1HD   ARG   3          2HD       ARG   3   5.591  -5.116  -3.540
   25   2HD   ARG   3          1HD       ARG   3   5.473  -6.875  -3.592
   26    HE   ARG   3           HE       ARG   3   4.856  -6.146  -6.120
   27   1HH1  ARG   3          1HH1      ARG   3   7.520  -5.370  -4.003
   28   2HH1  ARG   3          2HH1      ARG   3   8.653  -5.171  -5.297
   29   1HH2  ARG   3          1HH2      ARG   3   6.345  -5.885  -7.823
   30   2HH2  ARG   3          2HH2      ARG   3   7.987  -5.463  -7.466
   31    H    ALA   4           H        ALA   4   0.825  -5.056  -0.410
   32    HA   ALA   4           HA       ALA   4  -0.443  -7.542  -1.281
   33   1HB   ALA   4          1HB       ALA   4  -0.362  -8.269   0.890
   34   2HB   ALA   4          2HB       ALA   4  -0.481  -6.640   1.556
   35   3HB   ALA   4          3HB       ALA   4   1.039  -7.198   0.856
   36    H    CYS   5           H        CYS   5  -1.340  -4.432  -1.295
   37    HA   CYS   5           HA       CYS   5  -3.876  -4.554   0.018
   38   1HB   CYS   5          2HB       CYS   5  -2.523  -2.450  -0.469
   39   2HB   CYS   5          1HB       CYS   5  -3.094  -2.585  -2.124
   40    H    SER   6           H        SER   6  -5.943  -4.256  -1.118
   41    HA   SER   6           HA       SER   6  -5.984  -5.680  -3.696
   42   1HB   SER   6          2HB       SER   6  -6.982  -6.775  -1.511
   43   2HB   SER   6          1HB       SER   6  -8.351  -5.720  -1.865
   44    HG   SER   6           HG       SER   6  -8.626  -7.723  -2.873
   45    H    LEU   7           H        LEU   7  -5.975  -2.718  -2.883
   46    HA   LEU   7           HA       LEU   7  -8.519  -1.933  -4.132
   47   1HB   LEU   7          2HB       LEU   7  -6.539  -0.297  -2.547
   48   2HB   LEU   7          1HB       LEU   7  -8.002   0.334  -3.274
   49    HG   LEU   7           HG       LEU   7  -8.442  -1.957  -1.487
   50   1HD1  LEU   7          1HD1      LEU   7  -7.268  -1.255   0.258
   51   2HD1  LEU   7          2HD1      LEU   7  -8.254   0.207   0.284
   52   3HD1  LEU   7          3HD1      LEU   7  -6.737   0.182  -0.616
   53   1HD2  LEU   7          1HD2      LEU   7  -9.662   0.796  -1.517
   54   2HD2  LEU   7          2HD2      LEU   7 -10.331  -0.674  -0.809
   55   3HD2  LEU   7          3HD2      LEU   7 -10.193  -0.523  -2.561
   56    HA   PRO   8           HA       PRO   8  -6.213  -0.667  -7.714
   57   1HB   PRO   8          2HB       PRO   8  -8.183   0.456  -9.112
   58   2HB   PRO   8          1HB       PRO   8  -8.198  -1.276  -8.759
   59   1HG   PRO   8          2HG       PRO   8  -9.737   0.935  -7.472
   60   2HG   PRO   8          1HG       PRO   8 -10.254  -0.715  -7.859
   61   1HD   PRO   8          2HD       PRO   8  -9.398   0.178  -5.356
   62   2HD   PRO   8          1HD       PRO   8  -9.506  -1.517  -5.868
   63    H    HIS   9           H        HIS   9  -5.801   1.048  -5.501
   64    HA   HIS   9           HA       HIS   9  -5.619   3.630  -6.876
   65   1HB   HIS   9          2HB       HIS   9  -7.592   3.625  -5.303
   66   2HB   HIS   9          1HB       HIS   9  -6.454   3.372  -3.981
   67    HD1  HIS   9           1HD      HIS   9  -8.098   5.999  -5.823
   68    HD2  HIS   9           2HD      HIS   9  -4.479   5.575  -3.825
   69    HE1  HIS   9           1HE      HIS   9  -7.289   8.342  -5.394
   70    HE2  HIS   9           2HE      HIS   9  -5.142   8.061  -4.106
   71    H    CYS  10           H        CYS  10  -4.700   1.747  -4.033
   72    HA   CYS  10           HA       CYS  10  -2.426   3.271  -3.359
   73   1HB   CYS  10          2HB       CYS  10  -2.715   0.345  -2.733
   74   2HB   CYS  10          1HB       CYS  10  -1.960   1.606  -1.765
   75    H    ARG  11           H        ARG  11  -2.950   0.673  -5.622
   76    HA   ARG  11           HA       ARG  11  -0.219  -0.036  -5.978
   77   1HB   ARG  11          2HB       ARG  11  -2.316  -1.374  -6.632
   78   2HB   ARG  11          1HB       ARG  11  -2.364  -0.357  -8.066
   79   1HG   ARG  11          2HG       ARG  11  -1.177  -2.108  -8.888
   80   2HG   ARG  11          1HG       ARG  11   0.154  -1.132  -8.264
   81   1HD   ARG  11          2HD       ARG  11   0.095  -2.442  -6.176
   82   2HD   ARG  11          1HD       ARG  11  -1.182  -3.445  -6.862
   83    HE   ARG  11           HE       ARG  11   1.001  -3.464  -8.614
   84   1HH1  ARG  11          1HH1      ARG  11   0.148  -4.598  -5.425
   85   2HH1  ARG  11          2HH1      ARG  11   1.231  -5.948  -5.479
   86   1HH2  ARG  11          1HH2      ARG  11   2.426  -5.240  -8.686
   87   2HH2  ARG  11          2HH2      ARG  11   2.525  -6.312  -7.330
   88    H    THR  12           H        THR  12   0.847   1.982  -6.187
   89    HA   THR  12           HA       THR  12   0.539   3.198  -8.852
   90    HB   THR  12           HB       THR  12   1.181   4.593  -6.247
   91    HG1  THR  12           1HG      THR  12  -1.067   4.029  -6.774
   92   1HG2  THR  12          1HG2      THR  12   1.761   5.395  -8.936
   93   2HG2  THR  12          2HG2      THR  12   2.120   6.215  -7.416
   94   3HG2  THR  12          3HG2      THR  12   0.570   6.477  -8.215
   95    H    MET  13           H        MET  13   2.907   3.841  -6.296
   96    HA   MET  13           HA       MET  13   5.005   2.797  -8.079
   97   1HB   MET  13          2HB       MET  13   5.158   5.198  -6.249
   98   2HB   MET  13          1HB       MET  13   6.495   4.554  -7.192
   99   1HG   MET  13          2HG       MET  13   3.963   5.397  -8.534
  100   2HG   MET  13          1HG       MET  13   5.178   6.588  -8.076
  101   1HE   MET  13          1HE       MET  13   5.079   6.088 -11.857
  102   2HE   MET  13          2HE       MET  13   6.214   7.190 -11.077
  103   3HE   MET  13          3HE       MET  13   4.573   7.024 -10.451
  104    H    LYS  14           H        LYS  14   3.431   1.871  -5.539
  105    HA   LYS  14           HA       LYS  14   3.902   0.294  -3.964
  106   1HB   LYS  14          2HB       LYS  14   5.837  -0.865  -4.051
  107   2HB   LYS  14          1HB       LYS  14   6.113   0.076  -5.507
  108   1HG   LYS  14          2HG       LYS  14   7.222   1.758  -3.812
  109   2HG   LYS  14          1HG       LYS  14   7.375   0.304  -2.828
  110   1HD   LYS  14          2HD       LYS  14   8.372  -0.767  -4.947
  111   2HD   LYS  14          1HD       LYS  14   8.562   0.892  -5.519
  112   1HE   LYS  14          2HE       LYS  14  10.075   1.428  -3.830
  113   2HE   LYS  14          1HE       LYS  14   9.575   0.071  -2.822
  114   1HZ   LYS  14          1HZ       LYS  14  10.999  -0.217  -5.410
  115   2HZ   LYS  14          2HZ       LYS  14  10.651  -1.444  -4.300
  116   3HZ   LYS  14          3HZ       LYS  14  11.762  -0.233  -3.900
  117    H    ASN  15           H        ASN  15   3.859   3.315  -3.664
  118    HA   ASN  15           HA       ASN  15   5.501   4.007  -1.476
  119   1HB   ASN  15          2HB       ASN  15   3.791   5.873  -1.208
  120   2HB   ASN  15          1HB       ASN  15   4.618   5.792  -2.756
  121   1HD2  ASN  15          1HD2      ASN  15   3.403   5.866  -4.502
  122   2HD2  ASN  15          2HD2      ASN  15   1.707   5.545  -4.573
  123    H    VAL  16           H        VAL  16   5.147   2.018  -0.215
  124    HA   VAL  16           HA       VAL  16   2.788   1.173   0.916
  125    HB   VAL  16           HB       VAL  16   5.412   1.248   2.391
  126   1HG1  VAL  16          1HG1      VAL  16   2.834  -0.141   2.762
  127   2HG1  VAL  16          2HG1      VAL  16   4.027   0.378   3.952
  128   3HG1  VAL  16          3HG1      VAL  16   4.289  -1.101   3.029
  129   1HG2  VAL  16          1HG2      VAL  16   6.001   0.295   0.344
  130   2HG2  VAL  16          2HG2      VAL  16   4.454  -0.535   0.180
  131   3HG2  VAL  16          3HG2      VAL  16   5.635  -1.096   1.364
  132    H    LEU  17           H        LEU  17   4.819   3.878   1.890
  133    HA   LEU  17           HA       LEU  17   3.658   4.396   4.379
  134   1HB   LEU  17          2HB       LEU  17   4.752   6.449   2.466
  135   2HB   LEU  17          1HB       LEU  17   4.612   6.600   4.206
  136    HG   LEU  17           HG       LEU  17   6.276   4.370   3.162
  137   1HD1  LEU  17          1HD1      LEU  17   8.137   5.687   2.653
  138   2HD1  LEU  17          2HD1      LEU  17   7.418   7.137   3.354
  139   3HD1  LEU  17          3HD1      LEU  17   6.799   6.491   1.834
  140   1HD2  LEU  17          1HD2      LEU  17   7.100   6.225   5.322
  141   2HD2  LEU  17          2HD2      LEU  17   7.273   4.474   5.201
  142   3HD2  LEU  17          3HD2      LEU  17   5.715   5.179   5.632
  143    H    ASN  18           H        ASN  18   2.694   5.266   1.150
  144    HA   ASN  18           HA       ASN  18   0.615   7.060   1.962
  145   1HB   ASN  18          2HB       ASN  18   1.867   6.317  -0.482
  146   2HB   ASN  18          1HB       ASN  18   0.139   6.041  -0.666
  147   1HD2  ASN  18          1HD2      ASN  18   1.834   8.478   1.245
  148   2HD2  ASN  18          2HD2      ASN  18   1.167   9.843   0.423
  149    H    HIS  19           H        HIS  19   0.870   3.658   1.257
  150    HA   HIS  19           HA       HIS  19  -1.960   3.220   1.145
  151   1HB   HIS  19          2HB       HIS  19  -0.851   1.628  -0.108
  152   2HB   HIS  19          1HB       HIS  19   0.473   1.495   1.040
  153    HD2  HIS  19           2HD      HIS  19   0.288  -0.544   2.813
  154    HE1  HIS  19           1HE      HIS  19  -3.657  -1.696   1.833
  155    HE2  HIS  19           2HE      HIS  19  -1.517  -2.391   3.010
  156    H    MET  20           H        MET  20   0.549   2.163   3.459
  157    HA   MET  20           HA       MET  20  -1.166   1.150   5.390
  158   1HB   MET  20          2HB       MET  20   1.415   1.056   5.229
  159   2HB   MET  20          1HB       MET  20   1.379   2.567   6.128
  160   1HG   MET  20          2HG       MET  20  -0.239   1.093   7.672
  161   2HG   MET  20          1HG       MET  20   0.781  -0.182   7.007
  162   1HE   MET  20          1HE       MET  20   1.611  -0.990   8.946
  163   2HE   MET  20          2HE       MET  20   1.265   0.072  10.311
  164   3HE   MET  20          3HE       MET  20   2.934  -0.319   9.899
  165    H    THR  21           H        THR  21  -0.522   4.434   4.567
  166    HA   THR  21           HA       THR  21  -1.244   5.607   7.044
  167    HB   THR  21           HB       THR  21  -0.492   6.503   4.385
  168    HG1  THR  21           1HG      THR  21   0.383   8.194   5.640
  169   1HG2  THR  21          1HG2      THR  21  -1.501   8.767   4.597
  170   2HG2  THR  21          2HG2      THR  21  -2.598   8.108   5.810
  171   3HG2  THR  21          3HG2      THR  21  -2.643   7.497   4.156
  172    H    HIS  22           H        HIS  22  -3.085   4.197   4.514
  173    HA   HIS  22           HA       HIS  22  -5.539   5.209   5.785
  174   1HB   HIS  22          2HB       HIS  22  -6.625   5.377   3.594
  175   2HB   HIS  22          1HB       HIS  22  -5.231   6.443   3.705
  176    HD1  HIS  22           1HD      HIS  22  -4.956   6.518   1.157
  177    HD2  HIS  22           2HD      HIS  22  -4.645   2.677   2.732
  178    HE1  HIS  22           1HE      HIS  22  -4.027   5.093  -0.694
  179    HE2  HIS  22           2HE      HIS  22  -3.612   2.865   0.389
  180    H    CYS  23           H        CYS  23  -3.766   2.524   4.808
  181    HA   CYS  23           HA       CYS  23  -6.169   0.852   4.742
  182   1HB   CYS  23          2HB       CYS  23  -3.645   0.899   3.229
  183   2HB   CYS  23          1HB       CYS  23  -4.201  -0.688   3.709
  184    H    GLN  24           H        GLN  24  -5.182  -1.587   5.204
  185    HA   GLN  24           HA       GLN  24  -3.684  -1.428   7.727
  186   1HB   GLN  24          2HB       GLN  24  -6.374  -2.622   7.239
  187   2HB   GLN  24          1HB       GLN  24  -5.299  -3.432   8.369
  188   1HG   GLN  24          2HG       GLN  24  -5.081  -1.264   9.589
  189   2HG   GLN  24          1HG       GLN  24  -6.334  -0.614   8.534
  190   1HE2  GLN  24          1HE2      GLN  24  -8.378  -0.868   9.121
  191   2HE2  GLN  24          2HE2      GLN  24  -8.943  -1.921  10.369
  192    H    ALA  25           H        ALA  25  -3.288  -3.876   8.456
  193    HA   ALA  25           HA       ALA  25  -2.439  -5.964   7.998
  194   1HB   ALA  25          1HB       ALA  25  -2.659  -6.993   5.950
  195   2HB   ALA  25          2HB       ALA  25  -2.418  -5.496   5.049
  196   3HB   ALA  25          3HB       ALA  25  -3.949  -5.793   5.874
  197    H    GLY  26           H        GLY  26  -0.342  -6.723   7.771
  198   1HA   GLY  26          2HA       GLY  26   1.911  -6.635   7.117
  199   2HA   GLY  26          1HA       GLY  26   1.628  -5.042   6.432
  200    H    LYS  27           H        LYS  27   0.829  -6.116   9.700
  201    HA   LYS  27           HA       LYS  27   1.476  -5.371  11.749
  202   1HB   LYS  27          2HB       LYS  27   3.982  -5.251  10.148
  203   2HB   LYS  27          1HB       LYS  27   3.977  -4.441  11.708
  204   1HG   LYS  27          2HG       LYS  27   4.766  -6.535  12.245
  205   2HG   LYS  27          1HG       LYS  27   3.042  -6.691  12.593
  206   1HD   LYS  27          2HD       LYS  27   2.657  -7.843  10.540
  207   2HD   LYS  27          1HD       LYS  27   4.288  -7.489   9.968
  208   1HE   LYS  27          2HE       LYS  27   3.603  -9.211  12.348
  209   2HE   LYS  27          1HE       LYS  27   4.053  -9.809  10.752
  210   1HZ   LYS  27          1HZ       LYS  27   5.722  -8.510  12.787
  211   2HZ   LYS  27          2HZ       LYS  27   6.137  -8.328  11.157
  212   3HZ   LYS  27          3HZ       LYS  27   6.048  -9.873  11.839
  Start of MODEL   18
    1   1H    GLU   1          1HT       GLU   1   0.419  -4.146   3.650
    2   2H    GLU   1          2HT       GLU   1   0.618  -2.525   4.178
    3   3H    GLU   1          3HT       GLU   1   1.760  -3.724   4.630
    4    HA   GLU   1           HA       GLU   1   2.422  -2.169   2.824
    5   1HB   GLU   1          2HB       GLU   1   2.425  -5.173   2.626
    6   2HB   GLU   1          1HB       GLU   1   3.275  -4.184   1.447
    7   1HG   GLU   1          2HG       GLU   1   4.524  -3.145   3.347
    8   2HG   GLU   1          1HG       GLU   1   3.782  -4.344   4.405
    9    H    VAL   2           H        VAL   2   1.980  -1.315   0.900
   10    HA   VAL   2           HA       VAL   2  -0.555  -1.533  -0.247
   11    HB   VAL   2           HB       VAL   2   1.035   0.393  -0.491
   12   1HG1  VAL   2          1HG1      VAL   2   2.222  -0.974  -2.859
   13   2HG1  VAL   2          2HG1      VAL   2   2.901  -1.272  -1.259
   14   3HG1  VAL   2          3HG1      VAL   2   2.845   0.369  -1.902
   15   1HG2  VAL   2          1HG2      VAL   2  -0.995  -0.437  -2.119
   16   2HG2  VAL   2          2HG2      VAL   2   0.315  -0.178  -3.270
   17   3HG2  VAL   2          3HG2      VAL   2  -0.199   1.134  -2.210
   18    H    ARG   3           H        ARG   3   2.452  -3.195  -0.968
   19    HA   ARG   3           HA       ARG   3   1.777  -4.291  -3.452
   20   1HB   ARG   3          2HB       ARG   3   4.019  -4.315  -2.084
   21   2HB   ARG   3          1HB       ARG   3   3.404  -5.848  -1.479
   22   1HG   ARG   3          2HG       ARG   3   4.488  -6.688  -3.252
   23   2HG   ARG   3          1HG       ARG   3   3.038  -6.194  -4.128
   24   1HD   ARG   3          2HD       ARG   3   4.338  -3.906  -4.295
   25   2HD   ARG   3          1HD       ARG   3   5.741  -4.947  -4.060
   26    HE   ARG   3           HE       ARG   3   3.951  -5.865  -6.113
   27   1HH1  ARG   3          1HH1      ARG   3   6.660  -3.784  -5.401
   28   2HH1  ARG   3          2HH1      ARG   3   7.239  -3.771  -7.033
   29   1HH2  ARG   3          1HH2      ARG   3   4.711  -5.850  -8.260
   30   2HH2  ARG   3          2HH2      ARG   3   6.133  -4.943  -8.656
   31    H    ALA   4           H        ALA   4   0.839  -5.179  -0.217
   32    HA   ALA   4           HA       ALA   4  -0.377  -7.662  -1.168
   33   1HB   ALA   4          1HB       ALA   4   0.794  -8.050   0.815
   34   2HB   ALA   4          2HB       ALA   4  -0.890  -7.939   1.326
   35   3HB   ALA   4          3HB       ALA   4   0.196  -6.570   1.565
   36    H    CYS   5           H        CYS   5  -1.270  -4.538  -1.120
   37    HA   CYS   5           HA       CYS   5  -3.873  -4.712   0.050
   38   1HB   CYS   5          2HB       CYS   5  -2.516  -2.590  -0.252
   39   2HB   CYS   5          1HB       CYS   5  -2.951  -2.656  -1.953
   40    H    SER   6           H        SER   6  -5.878  -4.381  -1.179
   41    HA   SER   6           HA       SER   6  -5.776  -5.713  -3.804
   42   1HB   SER   6          2HB       SER   6  -8.119  -6.481  -3.277
   43   2HB   SER   6          1HB       SER   6  -6.869  -7.177  -2.245
   44    HG   SER   6           HG       SER   6  -7.419  -5.560  -0.684
   45    H    LEU   7           H        LEU   7  -5.776  -2.772  -2.901
   46    HA   LEU   7           HA       LEU   7  -8.208  -1.905  -4.307
   47   1HB   LEU   7          2HB       LEU   7  -6.330  -0.352  -2.526
   48   2HB   LEU   7          1HB       LEU   7  -7.725   0.325  -3.339
   49    HG   LEU   7           HG       LEU   7  -8.321  -2.013  -1.658
   50   1HD1  LEU   7          1HD1      LEU   7  -8.259   0.098   0.180
   51   2HD1  LEU   7          2HD1      LEU   7  -6.679   0.094  -0.603
   52   3HD1  LEU   7          3HD1      LEU   7  -7.276  -1.365   0.187
   53   1HD2  LEU   7          1HD2      LEU   7  -9.522   0.747  -1.690
   54   2HD2  LEU   7          2HD2      LEU   7 -10.255  -0.748  -1.107
   55   3HD2  LEU   7          3HD2      LEU   7  -9.967  -0.521  -2.832
   56    HA   PRO   8           HA       PRO   8  -5.705  -0.614  -7.731
   57   1HB   PRO   8          2HB       PRO   8  -7.460   0.943  -9.027
   58   2HB   PRO   8          1HB       PRO   8  -7.692  -0.805  -8.905
   59   1HG   PRO   8          2HG       PRO   8  -8.973   1.390  -7.327
   60   2HG   PRO   8          1HG       PRO   8  -9.706  -0.075  -8.006
   61   1HD   PRO   8          2HD       PRO   8  -8.949   0.195  -5.378
   62   2HD   PRO   8          1HD       PRO   8  -9.067  -1.360  -6.225
   63    H    HIS   9           H        HIS   9  -6.795   1.505  -5.302
   64    HA   HIS   9           HA       HIS   9  -5.732   3.934  -6.434
   65   1HB   HIS   9          2HB       HIS   9  -7.664   3.798  -4.780
   66   2HB   HIS   9          1HB       HIS   9  -6.461   3.437  -3.545
   67    HD1  HIS   9           1HD      HIS   9  -8.115   6.214  -5.193
   68    HD2  HIS   9           2HD      HIS   9  -4.502   5.597  -3.235
   69    HE1  HIS   9           1HE      HIS   9  -7.266   8.509  -4.612
   70    HE2  HIS   9           2HE      HIS   9  -5.122   8.107  -3.351
   71    H    CYS  10           H        CYS  10  -4.897   1.875  -3.672
   72    HA   CYS  10           HA       CYS  10  -2.494   3.156  -3.017
   73   1HB   CYS  10          2HB       CYS  10  -2.984   0.222  -2.570
   74   2HB   CYS  10          1HB       CYS  10  -2.079   1.344  -1.562
   75    H    ARG  11           H        ARG  11  -3.265   0.777  -5.436
   76    HA   ARG  11           HA       ARG  11  -0.609  -0.115  -5.923
   77   1HB   ARG  11          2HB       ARG  11  -2.850  -1.199  -6.626
   78   2HB   ARG  11          1HB       ARG  11  -2.789  -0.097  -7.995
   79   1HG   ARG  11          2HG       ARG  11  -0.346  -1.665  -7.496
   80   2HG   ARG  11          1HG       ARG  11  -1.763  -2.574  -8.026
   81   1HD   ARG  11          2HD       ARG  11  -1.849  -0.494  -9.742
   82   2HD   ARG  11          1HD       ARG  11  -0.109  -0.612  -9.479
   83    HE   ARG  11           HE       ARG  11  -1.698  -2.358 -11.033
   84   1HH1  ARG  11          1HH1      ARG  11   0.991  -2.369  -8.809
   85   2HH1  ARG  11          2HH1      ARG  11   1.695  -3.806  -9.472
   86   1HH2  ARG  11          1HH2      ARG  11  -0.775  -4.248 -11.906
   87   2HH2  ARG  11          2HH2      ARG  11   0.693  -4.873 -11.230
   88    H    THR  12           H        THR  12   0.615   1.820  -6.003
   89    HA   THR  12           HA       THR  12   0.319   3.304  -8.532
   90    HB   THR  12           HB       THR  12   1.270   4.343  -5.856
   91    HG1  THR  12           1HG      THR  12  -1.043   4.088  -6.217
   92   1HG2  THR  12          1HG2      THR  12   0.760   6.487  -7.549
   93   2HG2  THR  12          2HG2      THR  12   1.733   5.367  -8.503
   94   3HG2  THR  12          3HG2      THR  12   2.328   5.948  -6.948
   95    H    MET  13           H        MET  13   2.884   3.397  -6.088
   96    HA   MET  13           HA       MET  13   4.721   2.157  -8.011
   97   1HB   MET  13          2HB       MET  13   5.139   4.755  -6.532
   98   2HB   MET  13          1HB       MET  13   6.449   3.856  -7.284
   99   1HG   MET  13          2HG       MET  13   4.142   4.415  -9.017
  100   2HG   MET  13          1HG       MET  13   5.064   5.823  -8.493
  101   1HE   MET  13          1HE       MET  13   6.144   4.819 -12.241
  102   2HE   MET  13          2HE       MET  13   5.489   6.145 -11.281
  103   3HE   MET  13          3HE       MET  13   4.568   4.653 -11.467
  104    H    LYS  14           H        LYS  14   3.333   1.433  -5.396
  105    HA   LYS  14           HA       LYS  14   3.857  -0.070  -3.762
  106   1HB   LYS  14          2HB       LYS  14   5.806  -1.206  -3.823
  107   2HB   LYS  14          1HB       LYS  14   6.046  -0.336  -5.329
  108   1HG   LYS  14          2HG       LYS  14   7.159   1.446  -3.748
  109   2HG   LYS  14          1HG       LYS  14   7.341   0.053  -2.683
  110   1HD   LYS  14          2HD       LYS  14   8.189  -0.995  -5.029
  111   2HD   LYS  14          1HD       LYS  14   8.689   0.686  -5.223
  112   1HE   LYS  14          2HE       LYS  14   9.821   0.550  -3.021
  113   2HE   LYS  14          1HE       LYS  14   9.404  -1.162  -2.949
  114   1HZ   LYS  14          1HZ       LYS  14  11.229   0.190  -4.849
  115   2HZ   LYS  14          2HZ       LYS  14  10.632  -1.369  -5.125
  116   3HZ   LYS  14          3HZ       LYS  14  11.587  -1.059  -3.764
  117    H    ASN  15           H        ASN  15   3.819   2.983  -3.632
  118    HA   ASN  15           HA       ASN  15   5.473   3.778  -1.489
  119   1HB   ASN  15          2HB       ASN  15   2.809   5.010  -2.177
  120   2HB   ASN  15          1HB       ASN  15   4.227   5.788  -1.492
  121   1HD2  ASN  15          1HD2      ASN  15   5.971   6.296  -2.822
  122   2HD2  ASN  15          2HD2      ASN  15   5.818   6.355  -4.542
  123    H    VAL  16           H        VAL  16   5.105   1.855  -0.125
  124    HA   VAL  16           HA       VAL  16   2.723   1.120   1.057
  125    HB   VAL  16           HB       VAL  16   5.366   1.153   2.496
  126   1HG1  VAL  16          1HG1      VAL  16   4.204  -1.122   3.249
  127   2HG1  VAL  16          2HG1      VAL  16   2.754  -0.176   2.911
  128   3HG1  VAL  16          3HG1      VAL  16   3.932   0.405   4.088
  129   1HG2  VAL  16          1HG2      VAL  16   5.381  -1.283   1.526
  130   2HG2  VAL  16          2HG2      VAL  16   5.987   0.068   0.568
  131   3HG2  VAL  16          3HG2      VAL  16   4.367  -0.564   0.274
  132    H    LEU  17           H        LEU  17   4.801   3.841   1.816
  133    HA   LEU  17           HA       LEU  17   3.808   4.488   4.341
  134   1HB   LEU  17          2HB       LEU  17   5.087   6.052   2.145
  135   2HB   LEU  17          1HB       LEU  17   4.391   6.915   3.504
  136    HG   LEU  17           HG       LEU  17   6.325   4.694   4.023
  137   1HD1  LEU  17          1HD1      LEU  17   8.019   6.707   4.077
  138   2HD1  LEU  17          2HD1      LEU  17   6.936   7.355   2.845
  139   3HD1  LEU  17          3HD1      LEU  17   7.725   5.798   2.595
  140   1HD2  LEU  17          1HD2      LEU  17   6.886   6.560   5.815
  141   2HD2  LEU  17          2HD2      LEU  17   5.546   5.435   6.033
  142   3HD2  LEU  17          3HD2      LEU  17   5.239   7.067   5.440
  143    H    ASN  18           H        ASN  18   2.574   5.141   1.154
  144    HA   ASN  18           HA       ASN  18   0.491   6.904   2.029
  145   1HB   ASN  18          2HB       ASN  18   1.558   6.801  -0.309
  146   2HB   ASN  18          1HB       ASN  18   0.517   5.408  -0.586
  147   1HD2  ASN  18          1HD2      ASN  18   0.096   8.574   0.967
  148   2HD2  ASN  18          2HD2      ASN  18  -1.312   9.016   0.069
  149    H    HIS  19           H        HIS  19   0.781   3.494   1.285
  150    HA   HIS  19           HA       HIS  19  -2.024   2.969   1.570
  151   1HB   HIS  19          2HB       HIS  19  -0.958   1.469   0.126
  152   2HB   HIS  19          1HB       HIS  19   0.416   1.261   1.201
  153    HD2  HIS  19           2HD      HIS  19   0.234  -0.781   2.992
  154    HE1  HIS  19           1HE      HIS  19  -3.712  -1.923   1.999
  155    HE2  HIS  19           2HE      HIS  19  -1.571  -2.632   3.163
  156    H    MET  20           H        MET  20   0.646   3.249   3.710
  157    HA   MET  20           HA       MET  20  -0.659   1.716   5.810
  158   1HB   MET  20          2HB       MET  20   2.026   2.959   5.449
  159   2HB   MET  20          1HB       MET  20   1.442   2.723   7.091
  160   1HG   MET  20          2HG       MET  20   1.023   0.311   6.444
  161   2HG   MET  20          1HG       MET  20   1.956   0.647   4.987
  162   1HE   MET  20          1HE       MET  20   2.197  -1.434   7.258
  163   2HE   MET  20          2HE       MET  20   3.738  -1.391   8.115
  164   3HE   MET  20          3HE       MET  20   3.706  -1.648   6.371
  165    H    THR  21           H        THR  21  -1.611   4.401   4.662
  166    HA   THR  21           HA       THR  21  -1.850   5.777   7.232
  167    HB   THR  21           HB       THR  21  -1.101   6.759   4.606
  168    HG1  THR  21           1HG      THR  21  -0.284   8.413   5.852
  169   1HG2  THR  21          1HG2      THR  21  -3.253   8.320   6.016
  170   2HG2  THR  21          2HG2      THR  21  -3.418   7.522   4.453
  171   3HG2  THR  21          3HG2      THR  21  -2.292   8.866   4.642
  172    H    HIS  22           H        HIS  22  -3.510   3.952   5.003
  173    HA   HIS  22           HA       HIS  22  -6.063   4.891   6.076
  174   1HB   HIS  22          2HB       HIS  22  -7.105   4.758   3.811
  175   2HB   HIS  22          1HB       HIS  22  -5.949   6.071   3.994
  176    HD1  HIS  22           1HD      HIS  22  -5.237   6.303   1.609
  177    HD2  HIS  22           2HD      HIS  22  -4.914   2.375   2.953
  178    HE1  HIS  22           1HE      HIS  22  -4.037   5.053  -0.212
  179    HE2  HIS  22           2HE      HIS  22  -3.633   2.771   0.758
  180    H    CYS  23           H        CYS  23  -4.114   2.351   4.768
  181    HA   CYS  23           HA       CYS  23  -6.333   0.466   4.930
  182   1HB   CYS  23          2HB       CYS  23  -3.820   0.690   3.409
  183   2HB   CYS  23          1HB       CYS  23  -4.248  -0.928   3.917
  184    H    GLN  24           H        GLN  24  -5.799  -1.705   5.831
  185    HA   GLN  24           HA       GLN  24  -4.126  -1.412   8.234
  186   1HB   GLN  24          2HB       GLN  24  -6.638  -2.946   7.673
  187   2HB   GLN  24          1HB       GLN  24  -5.555  -3.483   8.950
  188   1HG   GLN  24          2HG       GLN  24  -5.791  -1.389  10.102
  189   2HG   GLN  24          1HG       GLN  24  -6.741  -0.723   8.775
  190   1HE2  GLN  24          1HE2      GLN  24  -8.711  -2.112   8.223
  191   2HE2  GLN  24          2HE2      GLN  24  -9.649  -2.656   9.567
  192    H    ALA  25           H        ALA  25  -3.490  -3.753   9.060
  193    HA   ALA  25           HA       ALA  25  -2.427  -5.764   8.716
  194   1HB   ALA  25          1HB       ALA  25  -3.897  -5.768   6.513
  195   2HB   ALA  25          2HB       ALA  25  -2.588  -6.924   6.761
  196   3HB   ALA  25          3HB       ALA  25  -2.325  -5.496   5.760
  197    H    GLY  26           H        GLY  26  -0.261  -6.484   8.073
  198   1HA   GLY  26          2HA       GLY  26   1.761  -5.580   6.765
  199   2HA   GLY  26          1HA       GLY  26   1.520  -4.158   7.769
  200    H    LYS  27           H        LYS  27   1.743  -4.411  10.096
  201    HA   LYS  27           HA       LYS  27   3.125  -6.801  11.015
  202   1HB   LYS  27          2HB       LYS  27   4.832  -5.153  10.078
  203   2HB   LYS  27          1HB       LYS  27   4.406  -4.103  11.422
  204   1HG   LYS  27          2HG       LYS  27   6.167  -5.160  12.365
  205   2HG   LYS  27          1HG       LYS  27   4.910  -6.320  12.801
  206   1HD   LYS  27          2HD       LYS  27   6.144  -6.725  10.158
  207   2HD   LYS  27          1HD       LYS  27   7.214  -6.974  11.539
  208   1HE   LYS  27          2HE       LYS  27   5.040  -8.307  12.391
  209   2HE   LYS  27          1HE       LYS  27   4.861  -8.522  10.650
  210   1HZ   LYS  27          1HZ       LYS  27   6.810  -9.708  10.507
  211   2HZ   LYS  27          2HZ       LYS  27   6.235 -10.214  12.015
  212   3HZ   LYS  27          3HZ       LYS  27   7.460  -9.051  11.925
  Start of MODEL   19
    1   1H    GLU   1          1HT       GLU   1   0.465  -3.855   3.532
    2   2H    GLU   1          2HT       GLU   1   0.724  -2.219   3.981
    3   3H    GLU   1          3HT       GLU   1   1.802  -3.441   4.522
    4    HA   GLU   1           HA       GLU   1   2.565  -2.006   2.652
    5   1HB   GLU   1          2HB       GLU   1   2.453  -5.019   2.572
    6   2HB   GLU   1          1HB       GLU   1   3.418  -4.094   1.430
    7   1HG   GLU   1          2HG       GLU   1   4.674  -3.117   3.286
    8   2HG   GLU   1          1HG       GLU   1   3.712  -4.058   4.426
    9    H    VAL   2           H        VAL   2   2.183  -1.232   0.687
   10    HA   VAL   2           HA       VAL   2  -0.325  -1.445  -0.519
   11    HB   VAL   2           HB       VAL   2   1.315   0.428  -0.812
   12   1HG1  VAL   2          1HG1      VAL   2   2.549  -0.891  -3.136
   13   2HG1  VAL   2          2HG1      VAL   2   3.087  -1.461  -1.557
   14   3HG1  VAL   2          3HG1      VAL   2   3.234   0.245  -1.975
   15   1HG2  VAL   2          1HG2      VAL   2  -0.683  -0.438  -2.460
   16   2HG2  VAL   2          2HG2      VAL   2   0.668  -0.264  -3.580
   17   3HG2  VAL   2          3HG2      VAL   2   0.151   1.109  -2.602
   18    H    ARG   3           H        ARG   3   2.601  -3.294  -0.973
   19    HA   ARG   3           HA       ARG   3   1.981  -4.468  -3.456
   20   1HB   ARG   3          2HB       ARG   3   4.228  -4.506  -2.402
   21   2HB   ARG   3          1HB       ARG   3   3.621  -5.639  -1.202
   22   1HG   ARG   3          2HG       ARG   3   3.593  -7.386  -2.657
   23   2HG   ARG   3          1HG       ARG   3   3.293  -6.357  -4.059
   24   1HD   ARG   3          2HD       ARG   3   5.896  -6.110  -2.635
   25   2HD   ARG   3          1HD       ARG   3   5.634  -7.510  -3.674
   26    HE   ARG   3           HE       ARG   3   4.989  -5.009  -4.932
   27   1HH1  ARG   3          1HH1      ARG   3   7.552  -7.268  -4.215
   28   2HH1  ARG   3          2HH1      ARG   3   8.542  -6.757  -5.541
   29   1HH2  ARG   3          1HH2      ARG   3   6.290  -4.337  -6.676
   30   2HH2  ARG   3          2HH2      ARG   3   7.826  -5.093  -6.938
   31    H    ALA   4           H        ALA   4   0.901  -5.131  -0.219
   32    HA   ALA   4           HA       ALA   4  -0.341  -7.639  -1.074
   33   1HB   ALA   4          1HB       ALA   4  -0.339  -8.320   1.093
   34   2HB   ALA   4          2HB       ALA   4  -0.605  -6.694   1.721
   35   3HB   ALA   4          3HB       ALA   4   1.000  -7.175   1.171
   36    H    CYS   5           H        CYS   5  -1.143  -4.468  -1.109
   37    HA   CYS   5           HA       CYS   5  -3.794  -4.574  -0.043
   38   1HB   CYS   5          2HB       CYS   5  -2.364  -2.485  -0.316
   39   2HB   CYS   5          1HB       CYS   5  -2.775  -2.545  -2.024
   40    H    SER   6           H        SER   6  -5.738  -4.199  -1.347
   41    HA   SER   6           HA       SER   6  -5.564  -5.477  -3.995
   42   1HB   SER   6          2HB       SER   6  -7.887  -6.327  -3.551
   43   2HB   SER   6          1HB       SER   6  -6.655  -7.015  -2.493
   44    HG   SER   6           HG       SER   6  -7.548  -6.066  -0.830
   45    H    LEU   7           H        LEU   7  -5.588  -2.587  -3.034
   46    HA   LEU   7           HA       LEU   7  -8.039  -1.683  -4.378
   47   1HB   LEU   7          2HB       LEU   7  -6.126  -0.176  -2.598
   48   2HB   LEU   7          1HB       LEU   7  -7.548   0.514  -3.354
   49    HG   LEU   7           HG       LEU   7  -8.002  -1.880  -1.674
   50   1HD1  LEU   7          1HD1      LEU   7  -8.088   0.313   0.092
   51   2HD1  LEU   7          2HD1      LEU   7  -6.500   0.335  -0.673
   52   3HD1  LEU   7          3HD1      LEU   7  -7.050  -1.111   0.173
   53   1HD2  LEU   7          1HD2      LEU   7  -9.418   0.776  -1.789
   54   2HD2  LEU   7          2HD2      LEU   7 -10.025  -0.743  -1.128
   55   3HD2  LEU   7          3HD2      LEU   7  -9.774  -0.575  -2.866
   56    HA   PRO   8           HA       PRO   8  -5.533  -0.708  -7.954
   57   1HB   PRO   8          2HB       PRO   8  -7.799   1.062  -8.651
   58   2HB   PRO   8          1HB       PRO   8  -7.088  -0.269  -9.569
   59   1HG   PRO   8          2HG       PRO   8  -9.476  -0.517  -8.392
   60   2HG   PRO   8          1HG       PRO   8  -8.335  -1.873  -8.465
   61   1HD   PRO   8          2HD       PRO   8  -8.976  -0.053  -6.177
   62   2HD   PRO   8          1HD       PRO   8  -8.679  -1.805  -6.178
   63    H    HIS   9           H        HIS   9  -6.797   1.538  -5.660
   64    HA   HIS   9           HA       HIS   9  -5.661   3.910  -6.770
   65   1HB   HIS   9          2HB       HIS   9  -7.574   3.781  -5.087
   66   2HB   HIS   9          1HB       HIS   9  -6.348   3.452  -3.865
   67    HD1  HIS   9           1HD      HIS   9  -8.052   6.184  -5.539
   68    HD2  HIS   9           2HD      HIS   9  -4.405   5.637  -3.623
   69    HE1  HIS   9           1HE      HIS   9  -7.217   8.497  -5.013
   70    HE2  HIS   9           2HE      HIS   9  -5.051   8.138  -3.776
   71    H    CYS  10           H        CYS  10  -4.802   1.924  -3.959
   72    HA   CYS  10           HA       CYS  10  -2.374   3.197  -3.389
   73   1HB   CYS  10          2HB       CYS  10  -2.891   0.280  -2.854
   74   2HB   CYS  10          1HB       CYS  10  -1.940   1.412  -1.901
   75    H    ARG  11           H        ARG  11  -3.230   0.874  -5.804
   76    HA   ARG  11           HA       ARG  11  -0.547  -0.031  -6.306
   77   1HB   ARG  11          2HB       ARG  11  -2.549  -1.409  -6.816
   78   2HB   ARG  11          1HB       ARG  11  -3.004  -0.248  -8.056
   79   1HG   ARG  11          2HG       ARG  11  -1.443  -0.984  -9.516
   80   2HG   ARG  11          1HG       ARG  11  -0.283  -1.380  -8.246
   81   1HD   ARG  11          2HD       ARG  11  -1.551  -3.373  -7.679
   82   2HD   ARG  11          1HD       ARG  11  -2.769  -2.964  -8.887
   83    HE   ARG  11           HE       ARG  11  -0.182  -3.159 -10.049
   84   1HH1  ARG  11          1HH1      ARG  11  -2.839  -5.081  -8.856
   85   2HH1  ARG  11          2HH1      ARG  11  -2.477  -6.437  -9.871
   86   1HH2  ARG  11          1HH2      ARG  11   0.295  -4.940 -11.386
   87   2HH2  ARG  11          2HH2      ARG  11  -0.698  -6.357 -11.307
   88    H    THR  12           H        THR  12   0.582   1.948  -6.565
   89    HA   THR  12           HA       THR  12   0.261   3.100  -9.245
   90    HB   THR  12           HB       THR  12   0.644   4.670  -6.689
   91    HG1  THR  12           1HG      THR  12  -1.476   4.583  -8.569
   92   1HG2  THR  12          1HG2      THR  12   0.042   6.398  -8.802
   93   2HG2  THR  12          2HG2      THR  12   1.354   5.368  -9.373
   94   3HG2  THR  12          3HG2      THR  12   1.544   6.294  -7.884
   95    H    MET  13           H        MET  13   2.423   4.067  -6.613
   96    HA   MET  13           HA       MET  13   4.692   3.175  -8.264
   97   1HB   MET  13          2HB       MET  13   4.348   5.558  -6.463
   98   2HB   MET  13          1HB       MET  13   5.948   4.956  -6.874
   99   1HG   MET  13          2HG       MET  13   3.993   5.538  -9.046
  100   2HG   MET  13          1HG       MET  13   4.855   6.862  -8.266
  101   1HE   MET  13          1HE       MET  13   6.941   7.499  -8.436
  102   2HE   MET  13          2HE       MET  13   8.083   7.077  -9.713
  103   3HE   MET  13          3HE       MET  13   8.121   6.214  -8.175
  104    H    LYS  14           H        LYS  14   3.005   2.104  -5.788
  105    HA   LYS  14           HA       LYS  14   3.426   0.538  -4.202
  106   1HB   LYS  14          2HB       LYS  14   5.310  -0.726  -4.312
  107   2HB   LYS  14          1HB       LYS  14   5.499   0.125  -5.834
  108   1HG   LYS  14          2HG       LYS  14   7.544   0.627  -5.125
  109   2HG   LYS  14          1HG       LYS  14   6.773   1.784  -4.041
  110   1HD   LYS  14          2HD       LYS  14   6.518  -0.443  -2.567
  111   2HD   LYS  14          1HD       LYS  14   7.980  -0.854  -3.465
  112   1HE   LYS  14          2HE       LYS  14   8.641   1.620  -2.759
  113   2HE   LYS  14          1HE       LYS  14   7.515   1.275  -1.447
  114   1HZ   LYS  14          1HZ       LYS  14  10.059   0.674  -1.287
  115   2HZ   LYS  14          2HZ       LYS  14   9.543  -0.740  -2.059
  116   3HZ   LYS  14          3HZ       LYS  14   8.874  -0.298  -0.570
  117    H    ASN  15           H        ASN  15   3.441   3.476  -3.787
  118    HA   ASN  15           HA       ASN  15   5.258   4.146  -1.740
  119   1HB   ASN  15          2HB       ASN  15   2.512   5.342  -2.083
  120   2HB   ASN  15          1HB       ASN  15   3.965   6.109  -1.463
  121   1HD2  ASN  15          1HD2      ASN  15   1.994   6.350  -3.886
  122   2HD2  ASN  15          2HD2      ASN  15   3.067   6.709  -5.191
  123    H    VAL  16           H        VAL  16   5.079   2.127  -0.499
  124    HA   VAL  16           HA       VAL  16   2.878   1.155   0.813
  125    HB   VAL  16           HB       VAL  16   5.596   1.361   2.090
  126   1HG1  VAL  16          1HG1      VAL  16   3.123  -0.093   2.681
  127   2HG1  VAL  16          2HG1      VAL  16   4.469   0.337   3.737
  128   3HG1  VAL  16          3HG1      VAL  16   4.579  -1.087   2.703
  129   1HG2  VAL  16          1HG2      VAL  16   6.121   0.457   0.018
  130   2HG2  VAL  16          2HG2      VAL  16   4.588  -0.407  -0.105
  131   3HG2  VAL  16          3HG2      VAL  16   5.835  -0.977   1.005
  132    H    LEU  17           H        LEU  17   4.945   3.854   1.813
  133    HA   LEU  17           HA       LEU  17   3.822   4.289   4.332
  134   1HB   LEU  17          2HB       LEU  17   5.316   5.976   2.386
  135   2HB   LEU  17          1HB       LEU  17   4.531   6.768   3.738
  136    HG   LEU  17           HG       LEU  17   6.343   4.445   4.253
  137   1HD1  LEU  17          1HD1      LEU  17   7.871   5.626   3.012
  138   2HD1  LEU  17          2HD1      LEU  17   8.101   6.346   4.606
  139   3HD1  LEU  17          3HD1      LEU  17   7.137   7.185   3.390
  140   1HD2  LEU  17          1HD2      LEU  17   5.355   6.841   5.756
  141   2HD2  LEU  17          2HD2      LEU  17   6.797   5.969   6.277
  142   3HD2  LEU  17          3HD2      LEU  17   5.246   5.134   6.186
  143    H    ASN  18           H        ASN  18   2.809   5.288   1.157
  144    HA   ASN  18           HA       ASN  18   0.750   7.057   2.070
  145   1HB   ASN  18          2HB       ASN  18   1.961   6.407  -0.419
  146   2HB   ASN  18          1HB       ASN  18   0.231   6.136  -0.588
  147   1HD2  ASN  18          1HD2      ASN  18   2.699   8.410  -0.579
  148   2HD2  ASN  18          2HD2      ASN  18   1.729   9.839  -0.577
  149    H    HIS  19           H        HIS  19   0.991   3.679   1.270
  150    HA   HIS  19           HA       HIS  19  -1.842   3.247   1.169
  151   1HB   HIS  19          2HB       HIS  19  -0.766   1.680  -0.135
  152   2HB   HIS  19          1HB       HIS  19   0.591   1.533   0.974
  153    HD2  HIS  19           2HD      HIS  19   0.463  -0.533   2.724
  154    HE1  HIS  19           1HE      HIS  19  -3.486  -1.716   1.796
  155    HE2  HIS  19           2HE      HIS  19  -1.316  -2.407   2.920
  156    H    MET  20           H        MET  20   0.690   2.121   3.425
  157    HA   MET  20           HA       MET  20  -1.001   1.056   5.348
  158   1HB   MET  20          2HB       MET  20   1.778   2.142   5.396
  159   2HB   MET  20          1HB       MET  20   0.991   1.790   6.929
  160   1HG   MET  20          2HG       MET  20   0.563  -0.518   6.102
  161   2HG   MET  20          1HG       MET  20   1.532  -0.132   4.681
  162   1HE   MET  20          1HE       MET  20   2.036  -2.554   6.308
  163   2HE   MET  20          2HE       MET  20   3.678  -2.570   6.950
  164   3HE   MET  20          3HE       MET  20   3.401  -2.214   5.245
  165    H    THR  21           H        THR  21  -0.365   4.363   4.610
  166    HA   THR  21           HA       THR  21  -1.066   5.473   7.119
  167    HB   THR  21           HB       THR  21  -0.355   6.435   4.472
  168    HG1  THR  21           1HG      THR  21   0.528   8.101   5.755
  169   1HG2  THR  21          1HG2      THR  21  -2.456   7.988   5.959
  170   2HG2  THR  21          2HG2      THR  21  -2.508   7.426   4.288
  171   3HG2  THR  21          3HG2      THR  21  -1.372   8.691   4.759
  172    H    HIS  22           H        HIS  22  -2.935   4.120   4.576
  173    HA   HIS  22           HA       HIS  22  -5.376   5.081   5.911
  174   1HB   HIS  22          2HB       HIS  22  -6.495   5.295   3.738
  175   2HB   HIS  22          1HB       HIS  22  -5.111   6.373   3.862
  176    HD1  HIS  22           1HD      HIS  22  -4.841   6.531   1.326
  177    HD2  HIS  22           2HD      HIS  22  -4.524   2.635   2.765
  178    HE1  HIS  22           1HE      HIS  22  -3.929   5.171  -0.580
  179    HE2  HIS  22           2HE      HIS  22  -3.507   2.906   0.421
  180    H    CYS  23           H        CYS  23  -3.599   2.434   4.865
  181    HA   CYS  23           HA       CYS  23  -5.994   0.750   4.775
  182   1HB   CYS  23          2HB       CYS  23  -3.499   0.862   3.225
  183   2HB   CYS  23          1HB       CYS  23  -4.012  -0.746   3.687
  184    H    GLN  24           H        GLN  24  -5.863  -1.325   5.785
  185    HA   GLN  24           HA       GLN  24  -4.115  -1.317   8.129
  186   1HB   GLN  24          2HB       GLN  24  -6.613  -2.862   7.443
  187   2HB   GLN  24          1HB       GLN  24  -5.634  -3.219   8.860
  188   1HG   GLN  24          2HG       GLN  24  -6.018  -0.978   9.713
  189   2HG   GLN  24          1HG       GLN  24  -6.960  -0.580   8.277
  190   1HE2  GLN  24          1HE2      GLN  24  -8.422  -0.070  10.213
  191   2HE2  GLN  24          2HE2      GLN  24  -9.513  -1.327  10.678
  192    H    ALA  25           H        ALA  25  -3.513  -3.646   8.869
  193    HA   ALA  25           HA       ALA  25  -2.527  -5.688   8.485
  194   1HB   ALA  25          1HB       ALA  25  -4.068  -5.733   6.392
  195   2HB   ALA  25          2HB       ALA  25  -2.671  -6.806   6.469
  196   3HB   ALA  25          3HB       ALA  25  -2.591  -5.322   5.518
  197    H    GLY  26           H        GLY  26  -0.389  -6.406   8.029
  198   1HA   GLY  26          2HA       GLY  26   1.780  -6.058   7.048
  199   2HA   GLY  26          1HA       GLY  26   1.415  -4.342   6.952
  200    H    LYS  27           H        LYS  27   0.810  -6.339   9.776
  201    HA   LYS  27           HA       LYS  27   1.604  -6.255  11.905
  202   1HB   LYS  27          2HB       LYS  27   3.730  -6.836  10.535
  203   2HB   LYS  27          1HB       LYS  27   4.201  -5.172  10.852
  204   1HG   LYS  27          2HG       LYS  27   4.279  -5.535  13.183
  205   2HG   LYS  27          1HG       LYS  27   3.454  -7.088  13.041
  206   1HD   LYS  27          2HD       LYS  27   6.057  -6.664  11.637
  207   2HD   LYS  27          1HD       LYS  27   6.046  -6.998  13.370
  208   1HE   LYS  27          2HE       LYS  27   4.365  -8.756  11.699
  209   2HE   LYS  27          1HE       LYS  27   6.107  -8.910  11.471
  210   1HZ   LYS  27          1HZ       LYS  27   5.545 -10.423  13.151
  211   2HZ   LYS  27          2HZ       LYS  27   4.550  -9.317  13.955
  212   3HZ   LYS  27          3HZ       LYS  27   6.228  -9.111  13.971
  Start of MODEL   20
    1   1H    GLU   1          1HT       GLU   1   0.705  -2.350   3.975
    2   2H    GLU   1          2HT       GLU   1   1.889  -3.412   4.619
    3   3H    GLU   1          3HT       GLU   1   0.608  -4.031   3.659
    4    HA   GLU   1           HA       GLU   1   2.638  -2.129   2.702
    5   1HB   GLU   1          2HB       GLU   1   2.527  -5.124   2.801
    6   2HB   GLU   1          1HB       GLU   1   3.333  -4.332   1.453
    7   1HG   GLU   1          2HG       GLU   1   4.790  -3.154   3.045
    8   2HG   GLU   1          1HG       GLU   1   4.009  -4.017   4.369
    9    H    VAL   2           H        VAL   2   2.231  -1.348   0.750
   10    HA   VAL   2           HA       VAL   2  -0.284  -1.551  -0.438
   11    HB   VAL   2           HB       VAL   2   1.359   0.311  -0.750
   12   1HG1  VAL   2          1HG1      VAL   2   3.128  -1.584  -1.478
   13   2HG1  VAL   2          2HG1      VAL   2   3.277   0.118  -1.916
   14   3HG1  VAL   2          3HG1      VAL   2   2.591  -1.031  -3.064
   15   1HG2  VAL   2          1HG2      VAL   2  -0.499  -0.794  -2.612
   16   2HG2  VAL   2          2HG2      VAL   2   0.836  -0.066  -3.506
   17   3HG2  VAL   2          3HG2      VAL   2  -0.075   0.897  -2.343
   18    H    ARG   3           H        ARG   3   2.625  -3.422  -0.912
   19    HA   ARG   3           HA       ARG   3   1.954  -4.603  -3.385
   20   1HB   ARG   3          2HB       ARG   3   4.224  -4.600  -2.284
   21   2HB   ARG   3          1HB       ARG   3   3.626  -5.850  -1.202
   22   1HG   ARG   3          2HG       ARG   3   4.532  -7.218  -2.736
   23   2HG   ARG   3          1HG       ARG   3   2.996  -6.956  -3.565
   24   1HD   ARG   3          2HD       ARG   3   4.683  -6.614  -5.185
   25   2HD   ARG   3          1HD       ARG   3   4.103  -5.011  -4.735
   26    HE   ARG   3           HE       ARG   3   6.291  -5.628  -3.113
   27   1HH1  ARG   3          1HH1      ARG   3   5.599  -5.002  -6.476
   28   2HH1  ARG   3          2HH1      ARG   3   7.171  -4.357  -6.809
   29   1HH2  ARG   3          1HH2      ARG   3   8.359  -4.779  -3.549
   30   2HH2  ARG   3          2HH2      ARG   3   8.738  -4.231  -5.148
   31    H    ALA   4           H        ALA   4   0.964  -5.254  -0.116
   32    HA   ALA   4           HA       ALA   4  -0.269  -7.783  -0.910
   33   1HB   ALA   4          1HB       ALA   4  -0.199  -8.429   1.257
   34   2HB   ALA   4          2HB       ALA   4  -0.545  -6.810   1.865
   35   3HB   ALA   4          3HB       ALA   4   1.082  -7.219   1.323
   36    H    CYS   5           H        CYS   5  -1.109  -4.616  -0.981
   37    HA   CYS   5           HA       CYS   5  -3.753  -4.744   0.102
   38   1HB   CYS   5          2HB       CYS   5  -2.344  -2.642  -0.205
   39   2HB   CYS   5          1HB       CYS   5  -2.778  -2.723  -1.907
   40    H    SER   6           H        SER   6  -5.707  -4.397  -1.198
   41    HA   SER   6           HA       SER   6  -5.535  -5.710  -3.829
   42   1HB   SER   6          2HB       SER   6  -6.756  -6.816  -1.692
   43   2HB   SER   6          1HB       SER   6  -8.094  -5.864  -2.335
   44    HG   SER   6           HG       SER   6  -8.306  -7.565  -3.574
   45    H    LEU   7           H        LEU   7  -5.582  -2.804  -2.895
   46    HA   LEU   7           HA       LEU   7  -8.036  -1.936  -4.258
   47   1HB   LEU   7          2HB       LEU   7  -6.143  -0.391  -2.490
   48   2HB   LEU   7          1HB       LEU   7  -7.573   0.274  -3.254
   49    HG   LEU   7           HG       LEU   7  -8.007  -2.108  -1.555
   50   1HD1  LEU   7          1HD1      LEU   7  -8.102   0.096   0.198
   51   2HD1  LEU   7          2HD1      LEU   7  -6.514   0.120  -0.569
   52   3HD1  LEU   7          3HD1      LEU   7  -7.059  -1.323   0.287
   53   1HD2  LEU   7          1HD2      LEU   7  -9.790  -0.824  -2.750
   54   2HD2  LEU   7          2HD2      LEU   7  -9.436   0.540  -1.689
   55   3HD2  LEU   7          3HD2      LEU   7 -10.034  -0.973  -1.009
   56    HA   PRO   8           HA       PRO   8  -5.522  -0.983  -7.836
   57   1HB   PRO   8          2HB       PRO   8  -7.805   0.755  -8.561
   58   2HB   PRO   8          1HB       PRO   8  -7.073  -0.576  -9.463
   59   1HG   PRO   8          2HG       PRO   8  -9.463  -0.844  -8.296
   60   2HG   PRO   8          1HG       PRO   8  -8.304  -2.186  -8.347
   61   1HD   PRO   8          2HD       PRO   8  -8.982  -0.350  -6.083
   62   2HD   PRO   8          1HD       PRO   8  -8.661  -2.097  -6.063
   63    H    HIS   9           H        HIS   9  -6.824   1.280  -5.578
   64    HA   HIS   9           HA       HIS   9  -5.709   3.650  -6.711
   65   1HB   HIS   9          2HB       HIS   9  -7.624   3.521  -5.030
   66   2HB   HIS   9          1HB       HIS   9  -6.398   3.216  -3.802
   67    HD1  HIS   9           1HD      HIS   9  -8.118   5.914  -5.520
   68    HD2  HIS   9           2HD      HIS   9  -4.484   5.423  -3.566
   69    HE1  HIS   9           1HE      HIS   9  -7.309   8.240  -5.013
   70    HE2  HIS   9           2HE      HIS   9  -5.151   7.916  -3.753
   71    H    CYS  10           H        CYS  10  -4.833   1.707  -3.875
   72    HA   CYS  10           HA       CYS  10  -2.424   3.012  -3.309
   73   1HB   CYS  10          2HB       CYS  10  -2.904   0.091  -2.759
   74   2HB   CYS  10          1HB       CYS  10  -1.969   1.240  -1.810
   75    H    ARG  11           H        ARG  11  -3.242   0.710  -5.744
   76    HA   ARG  11           HA       ARG  11  -0.543  -0.176  -6.222
   77   1HB   ARG  11          2HB       ARG  11  -2.452  -1.626  -6.743
   78   2HB   ARG  11          1HB       ARG  11  -3.035  -0.451  -7.914
   79   1HG   ARG  11          2HG       ARG  11  -1.055  -0.795  -9.278
   80   2HG   ARG  11          1HG       ARG  11  -0.420  -1.935  -8.089
   81   1HD   ARG  11          2HD       ARG  11  -2.020  -3.543  -8.592
   82   2HD   ARG  11          1HD       ARG  11  -3.115  -2.367  -9.317
   83    HE   ARG  11           HE       ARG  11  -2.074  -2.717 -11.313
   84   1HH1  ARG  11          1HH1      ARG  11   0.071  -3.759  -8.765
   85   2HH1  ARG  11          2HH1      ARG  11   1.257  -4.397  -9.853
   86   1HH2  ARG  11          1HH2      ARG  11  -0.515  -3.556 -12.746
   87   2HH2  ARG  11          2HH2      ARG  11   0.925  -4.282 -12.113
   88    H    THR  12           H        THR  12   0.556   1.819  -6.484
   89    HA   THR  12           HA       THR  12   0.205   2.974  -9.162
   90    HB   THR  12           HB       THR  12   0.640   4.525  -6.603
   91    HG1  THR  12           1HG      THR  12  -1.406   4.978  -6.724
   92   1HG2  THR  12          1HG2      THR  12   1.222   5.248  -9.337
   93   2HG2  THR  12          2HG2      THR  12   1.587   6.101  -7.837
   94   3HG2  THR  12          3HG2      THR  12   0.018   6.315  -8.615
   95    H    MET  13           H        MET  13   2.417   3.907  -6.558
   96    HA   MET  13           HA       MET  13   4.653   3.014  -8.252
   97   1HB   MET  13          2HB       MET  13   4.584   5.291  -6.265
   98   2HB   MET  13          1HB       MET  13   5.986   4.799  -7.205
   99   1HG   MET  13          2HG       MET  13   4.206   5.183  -9.183
  100   2HG   MET  13          1HG       MET  13   3.618   6.350  -8.000
  101   1HE   MET  13          1HE       MET  13   6.016   5.647 -10.806
  102   2HE   MET  13          2HE       MET  13   6.556   7.310 -11.034
  103   3HE   MET  13          3HE       MET  13   4.832   6.939 -11.003
  104    H    LYS  14           H        LYS  14   3.006   1.946  -5.754
  105    HA   LYS  14           HA       LYS  14   3.447   0.386  -4.168
  106   1HB   LYS  14          2HB       LYS  14   5.320  -0.889  -4.314
  107   2HB   LYS  14          1HB       LYS  14   5.489  -0.037  -5.838
  108   1HG   LYS  14          2HG       LYS  14   7.550   0.447  -5.158
  109   2HG   LYS  14          1HG       LYS  14   6.802   1.614  -4.068
  110   1HD   LYS  14          2HD       LYS  14   6.553  -0.637  -2.604
  111   2HD   LYS  14          1HD       LYS  14   8.030  -1.007  -3.497
  112   1HE   LYS  14          2HE       LYS  14   8.585   1.505  -2.756
  113   2HE   LYS  14          1HE       LYS  14   7.516   1.049  -1.431
  114   1HZ   LYS  14          1HZ       LYS  14  10.071   0.596  -1.310
  115   2HZ   LYS  14          2HZ       LYS  14   9.669  -0.791  -2.190
  116   3HZ   LYS  14          3HZ       LYS  14   8.969  -0.520  -0.674
  117    H    ASN  15           H        ASN  15   3.512   3.338  -3.774
  118    HA   ASN  15           HA       ASN  15   5.364   3.964  -1.737
  119   1HB   ASN  15          2HB       ASN  15   3.694   5.834  -1.262
  120   2HB   ASN  15          1HB       ASN  15   4.391   5.794  -2.873
  121   1HD2  ASN  15          1HD2      ASN  15   2.913   6.452  -4.251
  122   2HD2  ASN  15          2HD2      ASN  15   1.263   5.941  -4.295
  123    H    VAL  16           H        VAL  16   5.115   1.957  -0.490
  124    HA   VAL  16           HA       VAL  16   2.902   1.044   0.825
  125    HB   VAL  16           HB       VAL  16   5.615   1.232   2.115
  126   1HG1  VAL  16          1HG1      VAL  16   4.578  -1.183   2.785
  127   2HG1  VAL  16          2HG1      VAL  16   3.120  -0.193   2.711
  128   3HG1  VAL  16          3HG1      VAL  16   4.447   0.270   3.776
  129   1HG2  VAL  16          1HG2      VAL  16   5.686  -1.192   1.056
  130   2HG2  VAL  16          2HG2      VAL  16   6.228   0.226   0.159
  131   3HG2  VAL  16          3HG2      VAL  16   4.621  -0.439  -0.130
  132    H    LEU  17           H        LEU  17   4.949   3.772   1.762
  133    HA   LEU  17           HA       LEU  17   3.855   4.240   4.287
  134   1HB   LEU  17          2HB       LEU  17   4.882   6.334   2.380
  135   2HB   LEU  17          1HB       LEU  17   4.789   6.456   4.126
  136    HG   LEU  17           HG       LEU  17   6.436   4.253   3.001
  137   1HD1  LEU  17          1HD1      LEU  17   8.187   5.531   2.289
  138   2HD1  LEU  17          2HD1      LEU  17   7.725   6.916   3.280
  139   3HD1  LEU  17          3HD1      LEU  17   6.843   6.561   1.794
  140   1HD2  LEU  17          1HD2      LEU  17   6.857   6.156   5.301
  141   2HD2  LEU  17          2HD2      LEU  17   7.784   4.697   4.951
  142   3HD2  LEU  17          3HD2      LEU  17   6.091   4.573   5.428
  143    H    ASN  18           H        ASN  18   2.792   5.167   1.106
  144    HA   ASN  18           HA       ASN  18   0.726   6.932   2.013
  145   1HB   ASN  18          2HB       ASN  18   1.915   6.258  -0.478
  146   2HB   ASN  18          1HB       ASN  18   0.188   5.953  -0.623
  147   1HD2  ASN  18          1HD2      ASN  18   2.011   8.044  -1.738
  148   2HD2  ASN  18          2HD2      ASN  18   1.250   9.544  -1.342
  149    H    HIS  19           H        HIS  19   0.986   3.543   1.257
  150    HA   HIS  19           HA       HIS  19  -1.844   3.085   1.204
  151   1HB   HIS  19          2HB       HIS  19  -0.764   1.510  -0.089
  152   2HB   HIS  19          1HB       HIS  19   0.599   1.384   1.014
  153    HD2  HIS  19           2HD      HIS  19   0.495  -0.665   2.782
  154    HE1  HIS  19           1HE      HIS  19  -3.462  -1.866   1.914
  155    HE2  HIS  19           2HE      HIS  19  -1.400  -2.350   3.304
  156    H    MET  20           H        MET  20   0.723   2.009   3.444
  157    HA   MET  20           HA       MET  20  -0.938   0.967   5.404
  158   1HB   MET  20          2HB       MET  20   1.717   1.090   5.118
  159   2HB   MET  20          1HB       MET  20   1.520   2.378   6.299
  160   1HG   MET  20          2HG       MET  20   0.296  -0.316   6.738
  161   2HG   MET  20          1HG       MET  20   1.987  -0.005   7.129
  162   1HE   MET  20          1HE       MET  20   0.199  -0.771   9.948
  163   2HE   MET  20          2HE       MET  20   1.396   0.324  10.639
  164   3HE   MET  20          3HE       MET  20   1.827  -0.705   9.273
  165    H    THR  21           H        THR  21  -0.328   4.265   4.609
  166    HA   THR  21           HA       THR  21  -1.001   5.408   7.110
  167    HB   THR  21           HB       THR  21  -0.328   6.334   4.441
  168    HG1  THR  21           1HG      THR  21  -0.186   7.566   6.988
  169   1HG2  THR  21          1HG2      THR  21  -2.397   7.922   5.938
  170   2HG2  THR  21          2HG2      THR  21  -2.505   7.302   4.291
  171   3HG2  THR  21          3HG2      THR  21  -1.353   8.579   4.679
  172    H    HIS  22           H        HIS  22  -2.897   4.009   4.612
  173    HA   HIS  22           HA       HIS  22  -5.324   4.980   5.963
  174   1HB   HIS  22          2HB       HIS  22  -6.472   5.157   3.802
  175   2HB   HIS  22          1HB       HIS  22  -5.091   6.242   3.891
  176    HD1  HIS  22           1HD      HIS  22  -4.856   6.359   1.349
  177    HD2  HIS  22           2HD      HIS  22  -4.504   2.489   2.846
  178    HE1  HIS  22           1HE      HIS  22  -3.962   4.973  -0.547
  179    HE2  HIS  22           2HE      HIS  22  -3.518   2.725   0.485
  180    H    CYS  23           H        CYS  23  -3.551   2.325   4.925
  181    HA   CYS  23           HA       CYS  23  -5.938   0.629   4.897
  182   1HB   CYS  23          2HB       CYS  23  -3.463   0.727   3.313
  183   2HB   CYS  23          1HB       CYS  23  -3.965  -0.875   3.805
  184    H    GLN  24           H        GLN  24  -5.557  -1.599   5.726
  185    HA   GLN  24           HA       GLN  24  -3.647  -1.591   7.971
  186   1HB   GLN  24          2HB       GLN  24  -6.459  -2.683   7.853
  187   2HB   GLN  24          1HB       GLN  24  -5.322  -3.092   9.130
  188   1HG   GLN  24          2HG       GLN  24  -5.395  -0.999  10.059
  189   2HG   GLN  24          1HG       GLN  24  -5.859  -0.225   8.544
  190   1HE2  GLN  24          1HE2      GLN  24  -8.056  -1.149   7.711
  191   2HE2  GLN  24          2HE2      GLN  24  -9.319  -1.168   8.889
  192    H    ALA  25           H        ALA  25  -3.469  -3.994   8.827
  193    HA   ALA  25           HA       ALA  25  -2.981  -6.211   8.453
  194   1HB   ALA  25          1HB       ALA  25  -3.821  -7.320   6.683
  195   2HB   ALA  25          2HB       ALA  25  -3.196  -6.153   5.518
  196   3HB   ALA  25          3HB       ALA  25  -4.685  -5.809   6.398
  197    H    GLY  26           H        GLY  26  -0.894  -6.517   8.812
  198   1HA   GLY  26          2HA       GLY  26   1.096  -6.846   7.037
  199   2HA   GLY  26          1HA       GLY  26   1.102  -5.102   7.254
  200    H    LYS  27           H        LYS  27   1.209  -4.361   9.578
  201    HA   LYS  27           HA       LYS  27   2.686  -6.227  11.288
  202   1HB   LYS  27          2HB       LYS  27   4.146  -4.590   9.822
  203   2HB   LYS  27          1HB       LYS  27   3.692  -3.422  11.056
  204   1HG   LYS  27          2HG       LYS  27   5.770  -4.308  11.715
  205   2HG   LYS  27          1HG       LYS  27   4.564  -5.060  12.761
  206   1HD   LYS  27          2HD       LYS  27   4.614  -6.863  10.777
  207   2HD   LYS  27          1HD       LYS  27   6.264  -6.251  10.653
  208   1HE   LYS  27          2HE       LYS  27   4.991  -7.278  13.186
  209   2HE   LYS  27          1HE       LYS  27   6.055  -8.219  12.143
  210   1HZ   LYS  27          1HZ       LYS  27   7.010  -6.984  14.195
  211   2HZ   LYS  27          2HZ       LYS  27   6.979  -5.630  13.182
  212   3HZ   LYS  27          3HZ       LYS  27   7.880  -6.992  12.744


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