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
558200 2m1p 18875 cing 1-original 4 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1 -11.136  -1.064   3.115
    2    HA2  GLY   1           2HA      GLY   1 -11.942  -3.215   2.745
    3    HA3  GLY   1           1HA      GLY   1 -13.070  -2.574   1.564
    4    H    VAL   2           H        VAL   2 -10.282  -1.146   0.681
    5    HA   VAL   2           HA       VAL   2  -9.672  -3.386  -1.111
    6    HB   VAL   2           HB       VAL   2  -9.355  -0.415  -1.663
    7   HG11  VAL   2          1HG1      VAL   2  -7.681  -1.740  -2.836
    8   HG12  VAL   2          2HG1      VAL   2  -8.866  -1.097  -3.973
    9   HG13  VAL   2          3HG1      VAL   2  -8.941  -2.789  -3.486
   10   HG21  VAL   2          3HG2      VAL   2 -11.186  -0.706  -3.283
   11   HG22  VAL   2          1HG2      VAL   2 -11.711  -1.055  -1.636
   12   HG23  VAL   2          2HG2      VAL   2 -11.379  -2.375  -2.758
   13    H    CYS   3           H        CYS   3  -7.807  -4.306  -0.535
   14    HA   CYS   3           HA       CYS   3  -5.791  -2.653   0.700
   15    HB2  CYS   3           2HB      CYS   3  -5.886  -5.613   0.276
   16    HB3  CYS   3           1HB      CYS   3  -4.570  -4.773   1.078
   17    H    ARG   4           H        ARG   4  -4.223  -1.897  -0.187
   18    HA   ARG   4           HA       ARG   4  -3.581  -2.686  -2.958
   19    HB2  ARG   4           2HB      ARG   4  -4.703  -0.475  -2.832
   20    HB3  ARG   4           1HB      ARG   4  -3.432   0.073  -1.746
   21    HG2  ARG   4           2HG      ARG   4  -3.015   0.938  -3.931
   22    HG3  ARG   4           1HG      ARG   4  -1.788  -0.259  -3.512
   23    HD2  ARG   4           2HD      ARG   4  -3.013  -1.942  -4.842
   24    HD3  ARG   4           1HD      ARG   4  -4.198  -0.711  -5.266
   25    HE   ARG   4           HE       ARG   4  -1.475  -0.069  -5.935
   26   HH11  ARG   4          1HH1      ARG   4  -4.523  -1.473  -7.078
   27   HH12  ARG   4          2HH1      ARG   4  -4.113  -1.371  -8.727
   28   HH21  ARG   4          1HH2      ARG   4  -0.934   0.081  -8.244
   29   HH22  ARG   4          2HH2      ARG   4  -2.059  -0.495  -9.389
   30    H    ABA   5           H        ABA   5  -1.592  -3.446  -3.162
   31    HA   ABA   5           HA       ABA   5   0.391  -2.947  -1.103
   32    HB3  ABA   5           1HB      ABA   5   0.581  -4.643  -3.604
   33    HB2  ABA   5           2HB      ABA   5   0.101  -5.232  -2.017
   34    HG1  ABA   5           3HG      ABA   5   2.416  -5.781  -2.477
   35    HG3  ABA   5           1HG      ABA   5   2.300  -4.650  -1.130
   36    HG2  ABA   5           2HG      ABA   5   2.788  -4.077  -2.726
   37    H    VAL   6           H        VAL   6   1.667  -1.337  -1.168
   38    HA   VAL   6           HA       VAL   6   2.508  -0.281  -3.758
   39    HB   VAL   6           HB       VAL   6   1.096   1.387  -2.634
   40   HG11  VAL   6          1HG1      VAL   6   2.982   1.211  -0.292
   41   HG12  VAL   6          2HG1      VAL   6   1.306   0.661  -0.327
   42   HG13  VAL   6          3HG1      VAL   6   1.673   2.381  -0.474
   43   HG21  VAL   6          3HG2      VAL   6   4.010   2.150  -2.483
   44   HG22  VAL   6          1HG2      VAL   6   2.659   3.284  -2.522
   45   HG23  VAL   6          2HG2      VAL   6   2.982   2.243  -3.909
   46    H    CYS   7           H        CYS   7   4.636  -0.380  -4.123
   47    HA   CYS   7           HA       CYS   7   6.254  -1.149  -1.845
   48    HB2  CYS   7           2HB      CYS   7   6.815  -1.596  -4.781
   49    HB3  CYS   7           1HB      CYS   7   7.793  -2.179  -3.442
   50    H    ARG   8           H        ARG   8   7.882   0.028  -1.208
   51    HA   ARG   8           HA       ARG   8   8.864   2.176  -2.941
   52    HB2  ARG   8           2HB      ARG   8   7.852   2.576  -0.116
   53    HB3  ARG   8           1HB      ARG   8   8.823   3.759  -0.982
   54    HG2  ARG   8           2HG      ARG   8   7.097   4.022  -2.648
   55    HG3  ARG   8           1HG      ARG   8   6.151   2.736  -1.903
   56    HD2  ARG   8           2HD      ARG   8   5.850   4.072   0.087
   57    HD3  ARG   8           1HD      ARG   8   6.875   5.348  -0.575
   58    HE   ARG   8           HE       ARG   8   5.014   5.058  -2.461
   59   HH11  ARG   8          1HH1      ARG   8   4.669   5.486   1.051
   60   HH12  ARG   8          2HH1      ARG   8   3.242   6.379   0.956
   61   HH21  ARG   8          1HH2      ARG   8   3.021   6.255  -2.606
   62   HH22  ARG   8          2HH2      ARG   8   2.281   6.832  -1.187
   63    H    ARG   9           H        ARG   9  10.952   2.074  -3.043
   64    HA   ARG   9           HA       ARG   9  13.126   1.620  -2.658
   65    HB2  ARG   9           2HB      ARG   9  12.651   3.115  -0.630
   66    HB3  ARG   9           1HB      ARG   9  12.455   1.646   0.305
   67    HG2  ARG   9           2HG      ARG   9  14.818   1.061  -0.306
   68    HG3  ARG   9           1HG      ARG   9  14.961   2.674  -1.012
   69    HD2  ARG   9           2HD      ARG   9  15.833   2.733   1.231
   70    HD3  ARG   9           1HD      ARG   9  14.314   3.631   1.183
   71    HE   ARG   9           HE       ARG   9  14.065   0.863   1.913
   72   HH11  ARG   9          1HH1      ARG   9  14.531   4.136   3.155
   73   HH12  ARG   9          2HH1      ARG   9  13.992   3.777   4.730
   74   HH21  ARG   9          1HH2      ARG   9  13.293   0.361   4.097
   75   HH22  ARG   9          2HH2      ARG   9  13.262   1.601   5.253
   76    H    GLY  10           H        GLY  10  11.224  -0.454  -3.000
   77    HA2  GLY  10           2HA      GLY  10  11.427  -2.757  -3.228
   78    HA3  GLY  10           1HA      GLY  10  12.862  -2.683  -2.216
   79    H    VAL  11           H        VAL  11  10.502  -1.025  -0.609
   80    HA   VAL  11           HA       VAL  11   9.959  -3.340   1.068
   81    HB   VAL  11           HB       VAL  11   9.509  -0.391   1.642
   82   HG11  VAL  11          1HG1      VAL  11   9.245  -1.082   3.978
   83   HG12  VAL  11          2HG1      VAL  11   9.430  -2.769   3.500
   84   HG13  VAL  11          3HG1      VAL  11   8.040  -1.839   2.935
   85   HG21  VAL  11          3HG2      VAL  11  11.753  -2.191   2.549
   86   HG22  VAL  11          1HG2      VAL  11  11.472  -0.542   3.119
   87   HG23  VAL  11          2HG2      VAL  11  11.880  -0.839   1.426
   88    H    CYS  12           H        CYS  12   8.083  -4.281   0.565
   89    HA   CYS  12           HA       CYS  12   6.077  -2.627  -0.667
   90    HB2  CYS  12           2HB      CYS  12   6.177  -5.602  -0.382
   91    HB3  CYS  12           1HB      CYS  12   4.891  -4.726  -1.189
   92    H    ARG  13           H        ARG  13   4.455  -1.941   0.236
   93    HA   ARG  13           HA       ARG  13   3.661  -3.065   2.834
   94    HB2  ARG  13           2HB      ARG  13   4.731  -0.885   3.159
   95    HB3  ARG  13           1HB      ARG  13   3.622  -0.166   1.997
   96    HG2  ARG  13           2HG      ARG  13   2.904   0.387   4.213
   97    HG3  ARG  13           1HG      ARG  13   1.751  -0.695   3.449
   98    HD2  ARG  13           2HD      ARG  13   2.738  -2.593   4.649
   99    HD3  ARG  13           1HD      ARG  13   3.859  -1.494   5.457
  100    HE   ARG  13           HE       ARG  13   1.504  -0.447   6.091
  101   HH11  ARG  13          1HH1      ARG  13   2.723  -3.771   6.306
  102   HH12  ARG  13          2HH1      ARG  13   1.673  -4.240   7.555
  103   HH21  ARG  13          1HH2      ARG  13   0.073  -1.095   7.842
  104   HH22  ARG  13          2HH2      ARG  13   0.144  -2.672   8.468
  105    H    ABA  14           H        ABA  14   1.654  -3.782   2.866
  106    HA   ABA  14           HA       ABA  14  -0.177  -2.951   0.763
  107    HB3  ABA  14           1HB      ABA  14  -0.468  -5.135   2.832
  108    HB2  ABA  14           2HB      ABA  14   0.157  -5.389   1.206
  109    HG1  ABA  14           3HG      ABA  14  -2.163  -6.062   1.354
  110    HG3  ABA  14           1HG      ABA  14  -1.988  -4.678   0.273
  111    HG2  ABA  14           2HG      ABA  14  -2.611  -4.446   1.909
  112    H    VAL  15           H        VAL  15  -1.141  -1.155   1.193
  113    HA   VAL  15           HA       VAL  15  -2.080  -0.655   3.910
  114    HB   VAL  15           HB       VAL  15  -2.558   1.674   3.131
  115   HG11  VAL  15          1HG1      VAL  15  -0.420   1.190   4.184
  116   HG12  VAL  15          2HG1      VAL  15  -0.240   2.428   2.943
  117   HG13  VAL  15          3HG1      VAL  15   0.270   0.771   2.617
  118   HG21  VAL  15          3HG2      VAL  15  -1.671   2.454   0.963
  119   HG22  VAL  15          1HG2      VAL  15  -2.934   1.239   0.750
  120   HG23  VAL  15          2HG2      VAL  15  -1.241   0.793   0.553
  121    H    CYS  16           H        CYS  16  -4.285  -0.429   4.321
  122    HA   CYS  16           HA       CYS  16  -5.876  -1.311   2.062
  123    HB2  CYS  16           2HB      CYS  16  -6.389  -1.909   4.990
  124    HB3  CYS  16           1HB      CYS  16  -7.404  -2.412   3.642
  125    H    ARG  17           H        ARG  17  -7.655  -0.213   1.482
  126    HA   ARG  17           HA       ARG  17  -8.363   2.043   3.150
  127    HB2  ARG  17           2HB      ARG  17  -8.251   3.537   1.156
  128    HB3  ARG  17           1HB      ARG  17  -6.683   2.918   1.641
  129    HG2  ARG  17           2HG      ARG  17  -7.036   1.135  -0.178
  130    HG3  ARG  17           1HG      ARG  17  -8.339   2.172  -0.753
  131    HD2  ARG  17           2HD      ARG  17  -5.424   2.915  -0.479
  132    HD3  ARG  17           1HD      ARG  17  -6.291   2.622  -1.980
  133    HE   ARG  17           HE       ARG  17  -7.505   4.702  -0.479
  134   HH11  ARG  17          1HH1      ARG  17  -4.747   4.066  -2.660
  135   HH12  ARG  17          2HH1      ARG  17  -4.501   5.700  -3.034
  136   HH21  ARG  17          1HH2      ARG  17  -7.205   6.907  -1.059
  137   HH22  ARG  17          2HH2      ARG  17  -5.968   7.364  -2.157
  138    H    ARG  18           H        ARG  18 -10.344   1.675   3.582
  139    HA   ARG  18           HA       ARG  18 -12.514   1.175   3.515
  140    HB2  ARG  18           2HB      ARG  18 -12.412   3.309   2.227
  141    HB3  ARG  18           1HB      ARG  18 -12.371   2.375   0.742
  142    HG2  ARG  18           2HG      ARG  18 -14.603   1.509   1.203
  143    HG3  ARG  18           1HG      ARG  18 -14.628   2.375   2.740
  144    HD2  ARG  18           2HD      ARG  18 -15.865   3.594   1.029
  145    HD3  ARG  18           1HD      ARG  18 -14.448   4.496   1.561
  146    HE   ARG  18           HE       ARG  18 -14.465   2.900  -0.897
  147   HH11  ARG  18          1HH1      ARG  18 -13.722   5.937   0.772
  148   HH12  ARG  18          2HH1      ARG  18 -13.194   6.748  -0.635
  149   HH21  ARG  18          1HH2      ARG  18 -13.725   4.009  -2.809
  150   HH22  ARG  18          2HH2      ARG  18 -13.188   5.625  -2.738
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1 -10.751  -0.407   3.150
    2    HA2  GLY   1           2HA      GLY   1 -11.142  -2.698   3.362
    3    HA3  GLY   1           1HA      GLY   1 -12.588  -2.494   2.386
    4    H    VAL   2           H        VAL   2 -10.052  -1.068   0.786
    5    HA   VAL   2           HA       VAL   2  -9.736  -3.431  -0.923
    6    HB   VAL   2           HB       VAL   2  -9.280  -0.490  -1.539
    7   HG11  VAL   2          1HG1      VAL   2  -9.203  -2.884  -3.376
    8   HG12  VAL   2          2HG1      VAL   2  -7.818  -1.930  -2.859
    9   HG13  VAL   2          3HG1      VAL   2  -9.061  -1.202  -3.880
   10   HG21  VAL   2          3HG2      VAL   2 -11.268  -0.675  -2.969
   11   HG22  VAL   2          1HG2      VAL   2 -11.638  -0.966  -1.265
   12   HG23  VAL   2          2HG2      VAL   2 -11.511  -2.323  -2.387
   13    H    CYS   3           H        CYS   3  -7.758  -4.330  -0.950
   14    HA   CYS   3           HA       CYS   3  -5.740  -2.825   0.460
   15    HB2  CYS   3           2HB      CYS   3  -5.809  -5.743  -0.167
   16    HB3  CYS   3           1HB      CYS   3  -4.506  -4.937   0.690
   17    H    ARG   4           H        ARG   4  -4.209  -1.983  -0.385
   18    HA   ARG   4           HA       ARG   4  -3.463  -2.741  -3.120
   19    HB2  ARG   4           2HB      ARG   4  -4.492  -0.534  -3.138
   20    HB3  ARG   4           1HB      ARG   4  -3.441   0.001  -1.838
   21    HG2  ARG   4           2HG      ARG   4  -2.715   0.918  -3.946
   22    HG3  ARG   4           1HG      ARG   4  -1.514  -0.184  -3.285
   23    HD2  ARG   4           2HD      ARG   4  -2.417  -1.964  -4.774
   24    HD3  ARG   4           1HD      ARG   4  -3.466  -0.759  -5.513
   25    HE   ARG   4           HE       ARG   4  -0.840   0.187  -5.595
   26   HH11  ARG   4          1HH1      ARG   4  -2.770  -2.389  -7.058
   27   HH12  ARG   4          2HH1      ARG   4  -1.802  -2.507  -8.446
   28   HH21  ARG   4          1HH2      ARG   4   0.486  -0.002  -7.478
   29   HH22  ARG   4          2HH2      ARG   4   0.087  -1.133  -8.683
   30    H    ABA   5           H        ABA   5  -1.515  -3.569  -3.247
   31    HA   ABA   5           HA       ABA   5   0.327  -3.273  -1.048
   32    HB3  ABA   5           1HB      ABA   5   0.548  -4.855  -3.630
   33    HB2  ABA   5           2HB      ABA   5  -0.051  -5.494  -2.106
   34    HG1  ABA   5           3HG      ABA   5   2.240  -6.183  -2.505
   35    HG3  ABA   5           1HG      ABA   5   2.136  -5.141  -1.083
   36    HG2  ABA   5           2HG      ABA   5   2.740  -4.498  -2.612
   37    H    VAL   6           H        VAL   6   1.088  -1.216  -1.138
   38    HA   VAL   6           HA       VAL   6   2.073  -0.172  -3.677
   39    HB   VAL   6           HB       VAL   6   2.383   1.963  -2.565
   40   HG11  VAL   6          1HG1      VAL   6  -0.251   0.768  -1.766
   41   HG12  VAL   6          2HG1      VAL   6   0.138   1.519  -3.314
   42   HG13  VAL   6          3HG1      VAL   6   0.105   2.493  -1.844
   43   HG21  VAL   6          3HG2      VAL   6   1.631   0.585   0.019
   44   HG22  VAL   6          1HG2      VAL   6   1.848   2.323  -0.176
   45   HG23  VAL   6          2HG2      VAL   6   3.216   1.235  -0.400
   46    H    CYS   7           H        CYS   7   4.320   0.306  -3.989
   47    HA   CYS   7           HA       CYS   7   5.921  -0.912  -1.897
   48    HB2  CYS   7           2HB      CYS   7   6.384  -1.219  -4.866
   49    HB3  CYS   7           1HB      CYS   7   7.393  -1.894  -3.590
   50    H    ARG   8           H        ARG   8   7.824   0.036  -1.360
   51    HA   ARG   8           HA       ARG   8   8.922   2.099  -3.000
   52    HB2  ARG   8           2HB      ARG   8   8.890   3.796  -1.147
   53    HB3  ARG   8           1HB      ARG   8   7.355   3.505  -1.939
   54    HG2  ARG   8           2HG      ARG   8   6.657   2.112  -0.048
   55    HG3  ARG   8           1HG      ARG   8   8.209   2.428   0.748
   56    HD2  ARG   8           2HD      ARG   8   6.387   3.893   1.565
   57    HD3  ARG   8           1HD      ARG   8   7.721   4.790   0.832
   58    HE   ARG   8           HE       ARG   8   5.583   4.141  -0.979
   59   HH11  ARG   8          1HH1      ARG   8   6.643   6.528   1.391
   60   HH12  ARG   8          2HH1      ARG   8   5.889   7.844   0.618
   61   HH21  ARG   8          1HH2      ARG   8   4.553   5.905  -2.032
   62   HH22  ARG   8          2HH2      ARG   8   4.621   7.475  -1.379
   63    H    ARG   9           H        ARG   9  10.983   2.089  -2.896
   64    HA   ARG   9           HA       ARG   9  13.115   1.644  -2.370
   65    HB2  ARG   9           2HB      ARG   9  12.521   3.182  -0.421
   66    HB3  ARG   9           1HB      ARG   9  12.233   1.741   0.528
   67    HG2  ARG   9           2HG      ARG   9  14.564   1.097   0.314
   68    HG3  ARG   9           1HG      ARG   9  14.880   2.509  -0.699
   69    HD2  ARG   9           2HD      ARG   9  14.259   3.980   1.148
   70    HD3  ARG   9           1HD      ARG   9  13.890   2.579   2.139
   71    HE   ARG   9           HE       ARG   9  16.429   2.123   1.489
   72   HH11  ARG   9          1HH1      ARG   9  14.828   4.976   2.870
   73   HH12  ARG   9          2HH1      ARG   9  16.195   5.536   3.699
   74   HH21  ARG   9          1HH2      ARG   9  18.331   2.901   2.667
   75   HH22  ARG   9          2HH2      ARG   9  18.221   4.344   3.568
   76    H    GLY  10           H        GLY  10  11.341  -0.460  -2.906
   77    HA2  GLY  10           2HA      GLY  10  11.658  -2.730  -3.158
   78    HA3  GLY  10           1HA      GLY  10  12.963  -2.656  -1.981
   79    H    VAL  11           H        VAL  11  10.366  -1.109  -0.632
   80    HA   VAL  11           HA       VAL  11   9.685  -3.528   0.878
   81    HB   VAL  11           HB       VAL  11   9.445  -0.616   1.698
   82   HG11  VAL  11          1HG1      VAL  11   8.966  -1.481   3.931
   83   HG12  VAL  11          2HG1      VAL  11   9.062  -3.129   3.315
   84   HG13  VAL  11          3HG1      VAL  11   7.784  -2.057   2.753
   85   HG21  VAL  11          3HG2      VAL  11  11.784  -1.275   1.553
   86   HG22  VAL  11          1HG2      VAL  11  11.473  -2.686   2.562
   87   HG23  VAL  11          2HG2      VAL  11  11.313  -1.067   3.239
   88    H    CYS  12           H        CYS  12   7.704  -4.287   0.427
   89    HA   CYS  12           HA       CYS  12   5.828  -2.396  -0.662
   90    HB2  CYS  12           2HB      CYS  12   5.699  -5.385  -0.620
   91    HB3  CYS  12           1HB      CYS  12   4.474  -4.342  -1.317
   92    H    ARG  13           H        ARG  13   4.311  -1.687   0.360
   93    HA   ARG  13           HA       ARG  13   3.614  -2.816   2.995
   94    HB2  ARG  13           2HB      ARG  13   4.530  -0.508   3.113
   95    HB3  ARG  13           1HB      ARG  13   3.288   0.011   1.984
   96    HG2  ARG  13           2HG      ARG  13   2.589   0.739   4.091
   97    HG3  ARG  13           1HG      ARG  13   1.583  -0.623   3.634
   98    HD2  ARG  13           2HD      ARG  13   3.883  -0.635   5.618
   99    HD3  ARG  13           1HD      ARG  13   2.178  -0.727   6.009
  100    HE   ARG  13           HE       ARG  13   3.852  -2.835   4.875
  101   HH11  ARG  13          1HH1      ARG  13   0.642  -1.894   6.184
  102   HH12  ARG  13          2HH1      ARG  13   0.171  -3.496   6.458
  103   HH21  ARG  13          1HH2      ARG  13   3.104  -5.044   5.286
  104   HH22  ARG  13          2HH2      ARG  13   1.575  -5.290   5.976
  105    H    ABA  14           H        ABA  14   1.681  -3.742   3.110
  106    HA   ABA  14           HA       ABA  14  -0.228  -3.384   0.993
  107    HB3  ABA  14           1HB      ABA  14  -0.469  -4.988   3.551
  108    HB2  ABA  14           2HB      ABA  14   0.153  -5.621   2.031
  109    HG1  ABA  14           3HG      ABA  14  -2.007  -5.277   0.972
  110    HG3  ABA  14           1HG      ABA  14  -2.632  -4.563   2.461
  111    HG2  ABA  14           2HG      ABA  14  -2.182  -6.261   2.428
  112    H    VAL  15           H        VAL  15  -1.116  -1.468   1.046
  113    HA   VAL  15           HA       VAL  15  -2.068  -0.354   3.560
  114    HB   VAL  15           HB       VAL  15  -1.897   0.863   0.779
  115   HG11  VAL  15          1HG1      VAL  15  -2.481   2.989   1.849
  116   HG12  VAL  15          2HG1      VAL  15  -2.680   2.166   3.390
  117   HG13  VAL  15          3HG1      VAL  15  -3.770   1.799   2.049
  118   HG21  VAL  15          3HG2      VAL  15  -0.266   1.403   3.264
  119   HG22  VAL  15          1HG2      VAL  15  -0.120   2.263   1.732
  120   HG23  VAL  15          2HG2      VAL  15   0.290   0.548   1.824
  121    H    CYS  16           H        CYS  16  -3.990  -1.153   4.057
  122    HA   CYS  16           HA       CYS  16  -5.857  -1.563   1.888
  123    HB2  CYS  16           2HB      CYS  16  -6.127  -2.339   4.803
  124    HB3  CYS  16           1HB      CYS  16  -7.272  -2.751   3.529
  125    H    ARG  17           H        ARG  17  -7.368  -0.235   1.432
  126    HA   ARG  17           HA       ARG  17  -8.171   1.765   3.361
  127    HB2  ARG  17           2HB      ARG  17  -7.899   3.515   1.582
  128    HB3  ARG  17           1HB      ARG  17  -6.394   2.871   2.212
  129    HG2  ARG  17           2HG      ARG  17  -6.158   1.460   0.225
  130    HG3  ARG  17           1HG      ARG  17  -7.685   2.088  -0.401
  131    HD2  ARG  17           2HD      ARG  17  -5.205   3.703   0.180
  132    HD3  ARG  17           1HD      ARG  17  -5.780   3.218  -1.418
  133    HE   ARG  17           HE       ARG  17  -7.894   4.447  -0.523
  134   HH11  ARG  17          1HH1      ARG  17  -4.513   5.520  -0.414
  135   HH12  ARG  17          2HH1      ARG  17  -4.892   7.174  -0.359
  136   HH21  ARG  17          1HH2      ARG  17  -8.409   6.687  -0.470
  137   HH22  ARG  17          2HH2      ARG  17  -7.182   7.870  -0.402
  138    H    ARG  18           H        ARG  18 -10.269   2.080   3.292
  139    HA   ARG  18           HA       ARG  18 -12.455   1.862   2.797
  140    HB2  ARG  18           2HB      ARG  18 -11.649   3.232   0.770
  141    HB3  ARG  18           1HB      ARG  18 -11.657   1.722  -0.123
  142    HG2  ARG  18           2HG      ARG  18 -14.104   1.532   0.491
  143    HG3  ARG  18           1HG      ARG  18 -13.991   3.207   1.046
  144    HD2  ARG  18           2HD      ARG  18 -14.794   3.228  -1.204
  145    HD3  ARG  18           1HD      ARG  18 -13.126   3.809  -1.211
  146    HE   ARG  18           HE       ARG  18 -13.485   0.982  -1.675
  147   HH11  ARG  18          1HH1      ARG  18 -13.047   4.161  -3.183
  148   HH12  ARG  18          2HH1      ARG  18 -12.511   3.555  -4.669
  149   HH21  ARG  18          1HH2      ARG  18 -12.769   0.136  -3.750
  150   HH22  ARG  18          2HH2      ARG  18 -12.368   1.197  -5.008
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -10.665  -1.176   3.425
    2    HA2  GLY   1           2HA      GLY   1 -10.816  -3.510   3.419
    3    HA3  GLY   1           1HA      GLY   1 -12.352  -3.377   2.567
    4    H    VAL   2           H        VAL   2 -10.326  -1.379   0.937
    5    HA   VAL   2           HA       VAL   2  -9.723  -3.488  -0.996
    6    HB   VAL   2           HB       VAL   2  -9.822  -0.474  -1.368
    7   HG11  VAL   2          1HG1      VAL   2  -9.734  -0.947  -3.764
    8   HG12  VAL   2          2HG1      VAL   2  -9.631  -2.667  -3.435
    9   HG13  VAL   2          3HG1      VAL   2  -8.309  -1.599  -2.950
   10   HG21  VAL   2          3HG2      VAL   2 -11.830  -2.574  -2.182
   11   HG22  VAL   2          1HG2      VAL   2 -11.912  -0.865  -2.600
   12   HG23  VAL   2          2HG2      VAL   2 -12.042  -1.374  -0.912
   13    H    CYS   3           H        CYS   3  -7.695  -4.141  -0.922
   14    HA   CYS   3           HA       CYS   3  -5.808  -2.390   0.373
   15    HB2  CYS   3           2HB      CYS   3  -5.586  -5.306  -0.250
   16    HB3  CYS   3           1HB      CYS   3  -4.384  -4.362   0.615
   17    H    ARG   4           H        ARG   4  -4.290  -1.465  -0.467
   18    HA   ARG   4           HA       ARG   4  -3.532  -1.913  -3.298
   19    HB2  ARG   4           2HB      ARG   4  -4.470   0.367  -2.649
   20    HB3  ARG   4           1HB      ARG   4  -3.105   0.502  -1.546
   21    HG2  ARG   4           2HG      ARG   4  -2.446   1.763  -3.326
   22    HG3  ARG   4           1HG      ARG   4  -1.633   0.212  -3.528
   23    HD2  ARG   4           2HD      ARG   4  -4.151   1.088  -4.957
   24    HD3  ARG   4           1HD      ARG   4  -2.544   1.144  -5.654
   25    HE   ARG   4           HE       ARG   4  -2.713  -1.443  -5.164
   26   HH11  ARG   4          1HH1      ARG   4  -5.177   0.715  -6.473
   27   HH12  ARG   4          2HH1      ARG   4  -5.973  -0.493  -7.372
   28   HH21  ARG   4          1HH2      ARG   4  -3.756  -3.086  -6.437
   29   HH22  ARG   4          2HH2      ARG   4  -5.120  -2.709  -7.378
   30    H    ABA   5           H        ABA   5  -1.533  -2.865  -3.489
   31    HA   ABA   5           HA       ABA   5   0.328  -2.652  -1.247
   32    HB3  ABA   5           1HB      ABA   5   0.314  -4.573  -3.596
   33    HB2  ABA   5           2HB      ABA   5  -0.259  -4.953  -1.976
   34    HG1  ABA   5           3HG      ABA   5   1.955  -5.877  -2.357
   35    HG3  ABA   5           1HG      ABA   5   1.991  -4.646  -1.095
   36    HG2  ABA   5           2HG      ABA   5   2.573  -4.260  -2.712
   37    H    VAL   6           H        VAL   6   1.664  -1.014  -1.460
   38    HA   VAL   6           HA       VAL   6   2.724  -0.457  -4.123
   39    HB   VAL   6           HB       VAL   6   3.299   1.831  -3.265
   40   HG11  VAL   6          1HG1      VAL   6   1.014   2.744  -3.333
   41   HG12  VAL   6          2HG1      VAL   6   0.374   1.116  -3.121
   42   HG13  VAL   6          3HG1      VAL   6   1.283   1.525  -4.578
   43   HG21  VAL   6          3HG2      VAL   6   3.347   1.372  -0.866
   44   HG22  VAL   6          1HG2      VAL   6   1.616   1.037  -0.878
   45   HG23  VAL   6          2HG2      VAL   6   2.199   2.666  -1.217
   46    H    CYS   7           H        CYS   7   4.851  -0.766  -4.443
   47    HA   CYS   7           HA       CYS   7   6.374  -1.442  -2.064
   48    HB2  CYS   7           2HB      CYS   7   7.045  -2.033  -4.954
   49    HB3  CYS   7           1HB      CYS   7   7.896  -2.631  -3.538
   50    H    ARG   8           H        ARG   8   7.863  -0.270  -1.317
   51    HA   ARG   8           HA       ARG   8   8.912   1.819  -3.015
   52    HB2  ARG   8           2HB      ARG   8   8.574   3.475  -1.160
   53    HB3  ARG   8           1HB      ARG   8   7.123   2.958  -1.995
   54    HG2  ARG   8           2HG      ARG   8   6.593   1.441  -0.141
   55    HG3  ARG   8           1HG      ARG   8   8.043   1.979   0.706
   56    HD2  ARG   8           2HD      ARG   8   6.001   3.108   1.509
   57    HD3  ARG   8           1HD      ARG   8   7.166   4.241   0.831
   58    HE   ARG   8           HE       ARG   8   5.557   3.658  -1.268
   59   HH11  ARG   8          1HH1      ARG   8   4.799   4.793   2.027
   60   HH12  ARG   8          2HH1      ARG   8   3.485   5.743   1.498
   61   HH21  ARG   8          1HH2      ARG   8   3.739   4.944  -1.915
   62   HH22  ARG   8          2HH2      ARG   8   2.881   5.821  -0.742
   63    H    ARG   9           H        ARG   9  10.936   1.747  -2.982
   64    HA   ARG   9           HA       ARG   9  13.060   1.439  -2.474
   65    HB2  ARG   9           2HB      ARG   9  12.504   3.278  -0.853
   66    HB3  ARG   9           1HB      ARG   9  12.251   2.053   0.379
   67    HG2  ARG   9           2HG      ARG   9  14.567   1.428   0.303
   68    HG3  ARG   9           1HG      ARG   9  14.847   2.481  -1.078
   69    HD2  ARG   9           2HD      ARG   9  15.643   3.497   0.995
   70    HD3  ARG   9           1HD      ARG   9  14.325   4.425   0.280
   71    HE   ARG   9           HE       ARG   9  13.294   2.609   2.148
   72   HH11  ARG   9          1HH1      ARG   9  15.186   5.620   2.042
   73   HH12  ARG   9          2HH1      ARG   9  14.652   6.138   3.584
   74   HH21  ARG   9          1HH2      ARG   9  12.578   3.386   4.236
   75   HH22  ARG   9          2HH2      ARG   9  13.173   4.882   4.819
   76    H    GLY  10           H        GLY  10  11.410  -0.774  -2.590
   77    HA2  GLY  10           2HA      GLY  10  12.083  -2.987  -2.595
   78    HA3  GLY  10           1HA      GLY  10  13.168  -2.658  -1.251
   79    H    VAL  11           H        VAL  11  10.387  -1.240  -0.283
   80    HA   VAL  11           HA       VAL  11   9.630  -3.696   1.121
   81    HB   VAL  11           HB       VAL  11   9.296  -0.813   2.021
   82   HG11  VAL  11          1HG1      VAL  11   8.686  -3.375   3.502
   83   HG12  VAL  11          2HG1      VAL  11   7.496  -2.252   2.851
   84   HG13  VAL  11          3HG1      VAL  11   8.564  -1.743   4.164
   85   HG21  VAL  11          3HG2      VAL  11  10.973  -1.344   3.717
   86   HG22  VAL  11          1HG2      VAL  11  11.617  -1.565   2.089
   87   HG23  VAL  11          2HG2      VAL  11  11.141  -2.968   3.047
   88    H    CYS  12           H        CYS  12   7.805  -4.510   0.364
   89    HA   CYS  12           HA       CYS  12   5.883  -2.750  -0.826
   90    HB2  CYS  12           2HB      CYS  12   5.728  -5.693  -0.368
   91    HB3  CYS  12           1HB      CYS  12   4.615  -4.751  -1.342
   92    H    ARG  13           H        ARG  13   4.576  -1.772   0.089
   93    HA   ARG  13           HA       ARG  13   3.668  -2.530   2.784
   94    HB2  ARG  13           2HB      ARG  13   4.951  -0.434   2.689
   95    HB3  ARG  13           1HB      ARG  13   3.873   0.181   1.459
   96    HG2  ARG  13           2HG      ARG  13   3.452   1.216   3.600
   97    HG3  ARG  13           1HG      ARG  13   2.060   0.289   3.055
   98    HD2  ARG  13           2HD      ARG  13   4.037  -1.004   4.883
   99    HD3  ARG  13           1HD      ARG  13   2.902   0.147   5.563
  100    HE   ARG  13           HE       ARG  13   1.213  -1.388   4.309
  101   HH11  ARG  13          1HH1      ARG  13   4.019  -2.418   6.242
  102   HH12  ARG  13          2HH1      ARG  13   3.310  -3.881   6.711
  103   HH21  ARG  13          1HH2      ARG  13   0.227  -3.403   5.037
  104   HH22  ARG  13          2HH2      ARG  13   1.127  -4.457   6.008
  105    H    ABA  14           H        ABA  14   1.701  -3.242   2.802
  106    HA   ABA  14           HA       ABA  14  -0.166  -2.570   0.687
  107    HB3  ABA  14           1HB      ABA  14  -0.363  -4.557   2.962
  108    HB2  ABA  14           2HB      ABA  14   0.150  -4.952   1.330
  109    HG1  ABA  14           3HG      ABA  14  -2.153  -5.602   1.697
  110    HG3  ABA  14           1HG      ABA  14  -2.051  -4.326   0.483
  111    HG2  ABA  14           2HG      ABA  14  -2.569  -3.943   2.124
  112    H    VAL  15           H        VAL  15  -1.427  -0.939   0.983
  113    HA   VAL  15           HA       VAL  15  -2.264  -0.259   3.694
  114    HB   VAL  15           HB       VAL  15  -2.754   2.039   2.840
  115   HG11  VAL  15          1HG1      VAL  15   0.092   1.155   2.428
  116   HG12  VAL  15          2HG1      VAL  15  -0.649   1.628   3.959
  117   HG13  VAL  15          3HG1      VAL  15  -0.434   2.821   2.677
  118   HG21  VAL  15          3HG2      VAL  15  -3.061   1.562   0.461
  119   HG22  VAL  15          1HG2      VAL  15  -1.360   1.118   0.314
  120   HG23  VAL  15          2HG2      VAL  15  -1.808   2.781   0.683
  121    H    CYS  16           H        CYS  16  -4.407  -0.357   4.107
  122    HA   CYS  16           HA       CYS  16  -5.998  -1.116   1.804
  123    HB2  CYS  16           2HB      CYS  16  -6.387  -1.966   4.682
  124    HB3  CYS  16           1HB      CYS  16  -7.403  -2.462   3.326
  125    H    ARG  17           H        ARG  17  -7.783  -0.049   1.337
  126    HA   ARG  17           HA       ARG  17  -8.654   2.020   3.221
  127    HB2  ARG  17           2HB      ARG  17  -8.429   2.295   0.212
  128    HB3  ARG  17           1HB      ARG  17  -9.024   3.517   1.322
  129    HG2  ARG  17           2HG      ARG  17  -6.808   3.675   2.346
  130    HG3  ARG  17           1HG      ARG  17  -6.209   2.442   1.236
  131    HD2  ARG  17           2HD      ARG  17  -7.314   5.142   0.471
  132    HD3  ARG  17           1HD      ARG  17  -5.610   4.693   0.478
  133    HE   ARG  17           HE       ARG  17  -7.069   2.917  -1.154
  134   HH11  ARG  17          1HH1      ARG  17  -5.899   6.261  -1.171
  135   HH12  ARG  17          2HH1      ARG  17  -5.832   6.387  -2.866
  136   HH21  ARG  17          1HH2      ARG  17  -7.003   3.076  -3.446
  137   HH22  ARG  17          2HH2      ARG  17  -6.502   4.512  -4.214
  138    H    ARG  18           H        ARG  18 -10.544   1.340   3.857
  139    HA   ARG  18           HA       ARG  18 -12.696   0.717   3.922
  140    HB2  ARG  18           2HB      ARG  18 -12.877   2.599   2.227
  141    HB3  ARG  18           1HB      ARG  18 -12.761   1.405   0.960
  142    HG2  ARG  18           2HG      ARG  18 -15.060   2.153   1.304
  143    HG3  ARG  18           1HG      ARG  18 -14.887   0.435   1.651
  144    HD2  ARG  18           2HD      ARG  18 -14.940   0.823   4.006
  145    HD3  ARG  18           1HD      ARG  18 -14.803   2.564   3.788
  146    HE   ARG  18           HE       ARG  18 -17.022   2.342   2.617
  147   HH11  ARG  18          1HH1      ARG  18 -16.129   0.132   5.263
  148   HH12  ARG  18          2HH1      ARG  18 -17.718  -0.050   5.827
  149   HH21  ARG  18          1HH2      ARG  18 -19.238   2.062   3.435
  150   HH22  ARG  18          2HH2      ARG  18 -19.496   1.048   4.775
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -11.675  -1.265   2.913
    2    HA2  GLY   1           2HA      GLY   1 -12.133  -3.541   2.542
    3    HA3  GLY   1           1HA      GLY   1 -13.333  -3.072   1.348
    4    H    VAL   2           H        VAL   2 -10.448  -1.432   0.742
    5    HA   VAL   2           HA       VAL   2  -9.698  -3.464  -1.241
    6    HB   VAL   2           HB       VAL   2  -9.661  -0.446  -1.590
    7   HG11  VAL   2          1HG1      VAL   2  -8.999  -0.904  -3.919
    8   HG12  VAL   2          2HG1      VAL   2  -8.864  -2.621  -3.524
    9   HG13  VAL   2          3HG1      VAL   2  -7.788  -1.457  -2.760
   10   HG21  VAL   2          3HG2      VAL   2 -11.370  -2.533  -2.932
   11   HG22  VAL   2          1HG2      VAL   2 -11.349  -0.817  -3.337
   12   HG23  VAL   2          2HG2      VAL   2 -11.913  -1.345  -1.748
   13    H    CYS   3           H        CYS   3  -7.659  -4.096  -1.102
   14    HA   CYS   3           HA       CYS   3  -5.895  -2.503   0.530
   15    HB2  CYS   3           2HB      CYS   3  -5.587  -5.306  -0.490
   16    HB3  CYS   3           1HB      CYS   3  -4.364  -4.461   0.438
   17    H    ARG   4           H        ARG   4  -4.369  -1.435  -0.181
   18    HA   ARG   4           HA       ARG   4  -3.598  -1.656  -3.021
   19    HB2  ARG   4           2HB      ARG   4  -4.727   0.479  -2.415
   20    HB3  ARG   4           1HB      ARG   4  -3.525   0.743  -1.167
   21    HG2  ARG   4           2HG      ARG   4  -3.107   2.136  -3.087
   22    HG3  ARG   4           1HG      ARG   4  -1.803   0.973  -2.849
   23    HD2  ARG   4           2HD      ARG   4  -2.675  -0.422  -4.625
   24    HD3  ARG   4           1HD      ARG   4  -4.074   0.635  -4.813
   25    HE   ARG   4           HE       ARG   4  -2.528   2.370  -5.523
   26   HH11  ARG   4          1HH1      ARG   4  -1.422  -1.008  -5.798
   27   HH12  ARG   4          2HH1      ARG   4  -0.282  -0.635  -7.013
   28   HH21  ARG   4          1HH2      ARG   4  -0.947   2.797  -7.225
   29   HH22  ARG   4          2HH2      ARG   4  -0.017   1.500  -7.824
   30    H    ABA   5           H        ABA   5  -1.610  -2.474  -3.254
   31    HA   ABA   5           HA       ABA   5   0.244  -2.193  -1.006
   32    HB3  ABA   5           1HB      ABA   5   0.142  -4.349  -3.133
   33    HB2  ABA   5           2HB      ABA   5  -0.392  -4.528  -1.465
   34    HG1  ABA   5           3HG      ABA   5   2.435  -4.012  -2.360
   35    HG3  ABA   5           1HG      ABA   5   1.785  -5.550  -1.793
   36    HG2  ABA   5           2HG      ABA   5   1.899  -4.180  -0.690
   37    H    VAL   6           H        VAL   6   1.746  -0.790  -1.358
   38    HA   VAL   6           HA       VAL   6   2.714  -0.421  -4.085
   39    HB   VAL   6           HB       VAL   6   3.344   1.909  -3.422
   40   HG11  VAL   6          1HG1      VAL   6   1.294   1.522  -4.669
   41   HG12  VAL   6          2HG1      VAL   6   1.078   2.860  -3.536
   42   HG13  VAL   6          3HG1      VAL   6   0.411   1.272  -3.163
   43   HG21  VAL   6          3HG2      VAL   6   2.306   2.929  -1.427
   44   HG22  VAL   6          1HG2      VAL   6   3.434   1.644  -0.992
   45   HG23  VAL   6          2HG2      VAL   6   1.692   1.347  -0.951
   46    H    CYS   7           H        CYS   7   4.852  -0.672  -4.378
   47    HA   CYS   7           HA       CYS   7   6.355  -1.226  -1.947
   48    HB2  CYS   7           2HB      CYS   7   6.955  -2.247  -4.736
   49    HB3  CYS   7           1HB      CYS   7   7.794  -2.688  -3.254
   50    H    ARG   8           H        ARG   8   8.275  -0.294  -1.580
   51    HA   ARG   8           HA       ARG   8   9.416   1.463  -3.554
   52    HB2  ARG   8           2HB      ARG   8   9.331   3.436  -2.059
   53    HB3  ARG   8           1HB      ARG   8   7.745   2.946  -2.634
   54    HG2  ARG   8           2HG      ARG   8   7.351   1.841  -0.463
   55    HG3  ARG   8           1HG      ARG   8   8.915   2.430   0.093
   56    HD2  ARG   8           2HD      ARG   8   6.598   4.122  -0.819
   57    HD3  ARG   8           1HD      ARG   8   7.083   3.856   0.851
   58    HE   ARG   8           HE       ARG   8   9.087   4.998  -0.922
   59   HH11  ARG   8          1HH1      ARG   8   6.628   5.593   1.575
   60   HH12  ARG   8          2HH1      ARG   8   7.238   7.121   1.986
   61   HH21  ARG   8          1HH2      ARG   8   9.875   7.124  -0.387
   62   HH22  ARG   8          2HH2      ARG   8   9.123   8.029   0.838
   63    H    ARG   9           H        ARG   9  11.535   1.647  -3.306
   64    HA   ARG   9           HA       ARG   9  13.631   1.193  -2.631
   65    HB2  ARG   9           2HB      ARG   9  12.895   2.783  -0.761
   66    HB3  ARG   9           1HB      ARG   9  12.580   1.359   0.212
   67    HG2  ARG   9           2HG      ARG   9  14.987   0.746  -0.042
   68    HG3  ARG   9           1HG      ARG   9  15.237   2.299  -0.843
   69    HD2  ARG   9           2HD      ARG   9  15.830   2.539   1.444
   70    HD3  ARG   9           1HD      ARG   9  14.324   3.413   1.176
   71    HE   ARG   9           HE       ARG   9  14.200   0.684   2.199
   72   HH11  ARG   9          1HH1      ARG   9  13.664   4.151   2.776
   73   HH12  ARG   9          2HH1      ARG   9  13.003   3.957   4.310
   74   HH21  ARG   9          1HH2      ARG   9  13.228   0.403   4.350
   75   HH22  ARG   9          2HH2      ARG   9  12.707   1.774   5.205
   76    H    GLY  10           H        GLY  10  11.693  -0.883  -3.007
   77    HA2  GLY  10           2HA      GLY  10  11.968  -3.207  -3.136
   78    HA3  GLY  10           1HA      GLY  10  13.264  -3.080  -1.965
   79    H    VAL  11           H        VAL  11  10.792  -1.352  -0.646
   80    HA   VAL  11           HA       VAL  11  10.050  -3.626   1.043
   81    HB   VAL  11           HB       VAL  11   9.890  -0.648   1.622
   82   HG11  VAL  11          1HG1      VAL  11   9.479  -1.314   3.944
   83   HG12  VAL  11          2HG1      VAL  11   9.481  -3.007   3.451
   84   HG13  VAL  11          3HG1      VAL  11   8.221  -1.917   2.862
   85   HG21  VAL  11          3HG2      VAL  11  11.877  -2.691   2.606
   86   HG22  VAL  11          1HG2      VAL  11  11.772  -1.018   3.152
   87   HG23  VAL  11          2HG2      VAL  11  12.202  -1.377   1.477
   88    H    CYS  12           H        CYS  12   7.965  -4.292   0.929
   89    HA   CYS  12           HA       CYS  12   6.217  -2.578  -0.569
   90    HB2  CYS  12           2HB      CYS  12   5.893  -5.469   0.154
   91    HB3  CYS  12           1HB      CYS  12   4.706  -4.534  -0.743
   92    H    ARG  13           H        ARG  13   4.544  -1.639   0.140
   93    HA   ARG  13           HA       ARG  13   3.873  -1.924   2.982
   94    HB2  ARG  13           2HB      ARG  13   4.916   0.231   2.401
   95    HB3  ARG  13           1HB      ARG  13   3.686   0.510   1.188
   96    HG2  ARG  13           2HG      ARG  13   3.306   1.802   3.206
   97    HG3  ARG  13           1HG      ARG  13   1.987   0.671   2.882
   98    HD2  ARG  13           2HD      ARG  13   2.632   0.730   5.275
   99    HD3  ARG  13           1HD      ARG  13   2.828  -0.856   4.536
  100    HE   ARG  13           HE       ARG  13   5.213   0.715   4.459
  101   HH11  ARG  13          1HH1      ARG  13   3.345  -1.537   6.445
  102   HH12  ARG  13          2HH1      ARG  13   4.658  -2.011   7.406
  103   HH21  ARG  13          1HH2      ARG  13   6.983   0.113   5.729
  104   HH22  ARG  13          2HH2      ARG  13   6.813  -1.021   7.006
  105    H    ABA  14           H        ABA  14   1.852  -2.573   3.419
  106    HA   ABA  14           HA       ABA  14  -0.078  -2.615   1.229
  107    HB3  ABA  14           1HB      ABA  14  -0.032  -4.207   3.804
  108    HB2  ABA  14           2HB      ABA  14   0.511  -4.803   2.239
  109    HG1  ABA  14           3HG      ABA  14  -2.298  -3.983   2.923
  110    HG3  ABA  14           1HG      ABA  14  -1.703  -5.635   2.763
  111    HG2  ABA  14           2HG      ABA  14  -1.748  -4.574   1.357
  112    H    VAL  15           H        VAL  15  -1.494  -1.055   1.287
  113    HA   VAL  15           HA       VAL  15  -2.353   0.068   3.858
  114    HB   VAL  15           HB       VAL  15  -2.379   1.323   1.084
  115   HG11  VAL  15          1HG1      VAL  15  -4.228   2.129   2.444
  116   HG12  VAL  15          2HG1      VAL  15  -3.017   3.398   2.227
  117   HG13  VAL  15          3HG1      VAL  15  -3.107   2.517   3.751
  118   HG21  VAL  15          3HG2      VAL  15  -0.654   2.849   1.985
  119   HG22  VAL  15          1HG2      VAL  15  -0.118   1.166   1.953
  120   HG23  VAL  15          2HG2      VAL  15  -0.623   1.904   3.471
  121    H    CYS  16           H        CYS  16  -4.266  -0.877   4.364
  122    HA   CYS  16           HA       CYS  16  -6.046  -1.486   2.139
  123    HB2  CYS  16           2HB      CYS  16  -6.037  -2.707   4.914
  124    HB3  CYS  16           1HB      CYS  16  -7.210  -3.078   3.658
  125    H    ARG  17           H        ARG  17  -8.001  -0.550   1.999
  126    HA   ARG  17           HA       ARG  17  -9.324   0.546   4.248
  127    HB2  ARG  17           2HB      ARG  17  -9.331   2.918   3.438
  128    HB3  ARG  17           1HB      ARG  17  -7.806   2.368   4.102
  129    HG2  ARG  17           2HG      ARG  17  -6.892   2.108   1.874
  130    HG3  ARG  17           1HG      ARG  17  -8.441   2.593   1.169
  131    HD2  ARG  17           2HD      ARG  17  -6.779   4.423   1.250
  132    HD3  ARG  17           1HD      ARG  17  -8.257   4.776   2.138
  133    HE   ARG  17           HE       ARG  17  -6.234   3.633   3.800
  134   HH11  ARG  17          1HH1      ARG  17  -7.233   6.676   2.311
  135   HH12  ARG  17          2HH1      ARG  17  -6.635   7.651   3.564
  136   HH21  ARG  17          1HH2      ARG  17  -5.413   4.957   5.519
  137   HH22  ARG  17          2HH2      ARG  17  -5.569   6.650   5.428
  138    H    ARG  18           H        ARG  18 -11.388   1.061   3.851
  139    HA   ARG  18           HA       ARG  18 -13.415   1.007   2.914
  140    HB2  ARG  18           2HB      ARG  18 -12.273   2.831   1.506
  141    HB3  ARG  18           1HB      ARG  18 -12.103   1.620   0.254
  142    HG2  ARG  18           2HG      ARG  18 -14.577   1.371   0.237
  143    HG3  ARG  18           1HG      ARG  18 -14.676   2.700   1.394
  144    HD2  ARG  18           2HD      ARG  18 -15.022   3.639  -0.768
  145    HD3  ARG  18           1HD      ARG  18 -13.398   4.090  -0.255
  146    HE   ARG  18           HE       ARG  18 -13.810   1.754  -1.935
  147   HH11  ARG  18          1HH1      ARG  18 -12.348   4.954  -1.495
  148   HH12  ARG  18          2HH1      ARG  18 -11.515   4.962  -2.962
  149   HH21  ARG  18          1HH2      ARG  18 -12.673   1.746  -4.013
  150   HH22  ARG  18          2HH2      ARG  18 -11.720   3.074  -4.451
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1 -10.943  -1.186   2.997
    2    HA2  GLY   1           2HA      GLY   1 -11.202  -3.472   2.641
    3    HA3  GLY   1           1HA      GLY   1 -12.552  -3.115   1.572
    4    H    VAL   2           H        VAL   2 -10.073  -1.180   0.589
    5    HA   VAL   2           HA       VAL   2  -9.345  -3.097  -1.492
    6    HB   VAL   2           HB       VAL   2  -9.039  -0.076  -1.480
    7   HG11  VAL   2          1HG1      VAL   2  -8.623  -0.310  -3.890
    8   HG12  VAL   2          2HG1      VAL   2  -8.698  -2.063  -3.726
    9   HG13  VAL   2          3HG1      VAL   2  -7.415  -1.161  -2.924
   10   HG21  VAL   2          3HG2      VAL   2 -11.133  -1.773  -2.846
   11   HG22  VAL   2          1HG2      VAL   2 -10.913  -0.039  -3.087
   12   HG23  VAL   2          2HG2      VAL   2 -11.397  -0.661  -1.507
   13    H    CYS   3           H        CYS   3  -7.546  -4.086  -0.914
   14    HA   CYS   3           HA       CYS   3  -5.546  -2.644   0.569
   15    HB2  CYS   3           2HB      CYS   3  -5.651  -5.514  -0.253
   16    HB3  CYS   3           1HB      CYS   3  -4.402  -4.803   0.752
   17    H    ARG   4           H        ARG   4  -4.055  -1.736  -0.225
   18    HA   ARG   4           HA       ARG   4  -3.161  -2.442  -2.954
   19    HB2  ARG   4           2HB      ARG   4  -4.300  -0.243  -2.848
   20    HB3  ARG   4           1HB      ARG   4  -3.108   0.297  -1.680
   21    HG2  ARG   4           2HG      ARG   4  -2.622   1.168  -3.866
   22    HG3  ARG   4           1HG      ARG   4  -1.347   0.079  -3.324
   23    HD2  ARG   4           2HD      ARG   4  -1.897  -0.313  -5.686
   24    HD3  ARG   4           1HD      ARG   4  -2.270  -1.722  -4.703
   25    HE   ARG   4           HE       ARG   4  -4.320   0.226  -5.490
   26   HH11  ARG   4          1HH1      ARG   4  -3.202  -3.140  -5.345
   27   HH12  ARG   4          2HH1      ARG   4  -4.617  -3.809  -5.971
   28   HH21  ARG   4          1HH2      ARG   4  -6.319  -0.729  -6.365
   29   HH22  ARG   4          2HH2      ARG   4  -6.417  -2.417  -6.559
   30    H    ABA   5           H        ABA   5  -1.123  -3.109  -3.114
   31    HA   ABA   5           HA       ABA   5   0.652  -2.846  -0.832
   32    HB3  ABA   5           1HB      ABA   5   2.072  -4.454  -2.059
   33    HB2  ABA   5           2HB      ABA   5   0.952  -4.405  -3.413
   34    HG1  ABA   5           3HG      ABA   5  -0.805  -5.331  -1.976
   35    HG3  ABA   5           1HG      ABA   5   0.349  -5.424  -0.646
   36    HG2  ABA   5           2HG      ABA   5   0.593  -6.399  -2.097
   37    H    VAL   6           H        VAL   6   1.282  -0.750  -0.911
   38    HA   VAL   6           HA       VAL   6   2.361   0.409  -3.334
   39    HB   VAL   6           HB       VAL   6   2.359   1.514  -0.499
   40   HG11  VAL   6          1HG1      VAL   6   2.733   3.696  -1.564
   41   HG12  VAL   6          2HG1      VAL   6   2.829   2.902  -3.139
   42   HG13  VAL   6          3HG1      VAL   6   4.042   2.564  -1.906
   43   HG21  VAL   6          3HG2      VAL   6   0.076   1.155  -1.282
   44   HG22  VAL   6          1HG2      VAL   6   0.433   2.044  -2.764
   45   HG23  VAL   6          2HG2      VAL   6   0.438   2.881  -1.211
   46    H    CYS   7           H        CYS   7   4.283  -0.343  -3.928
   47    HA   CYS   7           HA       CYS   7   6.161  -1.055  -1.846
   48    HB2  CYS   7           2HB      CYS   7   6.377  -1.613  -4.807
   49    HB3  CYS   7           1HB      CYS   7   7.396  -2.273  -3.540
   50    H    ARG   8           H        ARG   8   7.710   0.101  -1.322
   51    HA   ARG   8           HA       ARG   8   8.873   2.007  -3.224
   52    HB2  ARG   8           2HB      ARG   8   7.997   2.575  -0.402
   53    HB3  ARG   8           1HB      ARG   8   9.216   3.545  -1.212
   54    HG2  ARG   8           2HG      ARG   8   7.601   4.161  -2.922
   55    HG3  ARG   8           1HG      ARG   8   6.402   3.120  -2.135
   56    HD2  ARG   8           2HD      ARG   8   6.287   4.488  -0.236
   57    HD3  ARG   8           1HD      ARG   8   7.774   5.336  -0.648
   58    HE   ARG   8           HE       ARG   8   6.399   6.150  -2.626
   59   HH11  ARG   8          1HH1      ARG   8   4.914   5.468   0.511
   60   HH12  ARG   8          2HH1      ARG   8   3.893   6.820   0.508
   61   HH21  ARG   8          1HH2      ARG   8   5.018   8.071  -2.615
   62   HH22  ARG   8          2HH2      ARG   8   3.963   8.352  -1.302
   63    H    ARG   9           H        ARG   9  10.936   1.600  -3.429
   64    HA   ARG   9           HA       ARG   9  13.063   0.977  -3.067
   65    HB2  ARG   9           2HB      ARG   9  12.951   2.698  -1.266
   66    HB3  ARG   9           1HB      ARG   9  12.393   1.473  -0.143
   67    HG2  ARG   9           2HG      ARG   9  14.549   0.348  -0.294
   68    HG3  ARG   9           1HG      ARG   9  15.105   1.547  -1.465
   69    HD2  ARG   9           2HD      ARG   9  14.845   3.295   0.176
   70    HD3  ARG   9           1HD      ARG   9  14.213   2.142   1.348
   71    HE   ARG   9           HE       ARG   9  16.444   1.030   1.123
   72   HH11  ARG   9          1HH1      ARG   9  16.100   4.508   0.536
   73   HH12  ARG   9          2HH1      ARG   9  17.660   4.904   1.062
   74   HH21  ARG   9          1HH2      ARG   9  18.599   1.578   1.900
   75   HH22  ARG   9          2HH2      ARG   9  19.107   3.193   1.863
   76    H    GLY  10           H        GLY  10  10.998  -0.934  -3.191
   77    HA2  GLY  10           2HA      GLY  10  10.958  -3.243  -3.249
   78    HA3  GLY  10           1HA      GLY  10  12.464  -3.258  -2.339
   79    H    VAL  11           H        VAL  11  10.200  -1.291  -0.844
   80    HA   VAL  11           HA       VAL  11   9.535  -3.442   1.026
   81    HB   VAL  11           HB       VAL  11   9.522  -0.436   1.480
   82   HG11  VAL  11          1HG1      VAL  11   9.085  -2.697   3.430
   83   HG12  VAL  11          2HG1      VAL  11   7.865  -1.561   2.859
   84   HG13  VAL  11          3HG1      VAL  11   9.201  -0.991   3.856
   85   HG21  VAL  11          3HG2      VAL  11  11.463  -0.822   2.937
   86   HG22  VAL  11          1HG2      VAL  11  11.803  -1.276   1.266
   87   HG23  VAL  11          2HG2      VAL  11  11.468  -2.522   2.471
   88    H    CYS  12           H        CYS  12   7.605  -4.205   0.524
   89    HA   CYS  12           HA       CYS  12   5.694  -2.407  -0.648
   90    HB2  CYS  12           2HB      CYS  12   5.549  -5.346  -0.206
   91    HB3  CYS  12           1HB      CYS  12   4.334  -4.400  -1.029
   92    H    ARG  13           H        ARG  13   4.427  -1.425   0.442
   93    HA   ARG  13           HA       ARG  13   3.634  -2.521   3.050
   94    HB2  ARG  13           2HB      ARG  13   4.627  -0.257   3.210
   95    HB3  ARG  13           1HB      ARG  13   3.402   0.350   2.099
   96    HG2  ARG  13           2HG      ARG  13   2.829   0.946   4.358
   97    HG3  ARG  13           1HG      ARG  13   1.666  -0.209   3.699
   98    HD2  ARG  13           2HD      ARG  13   3.155  -2.004   4.840
   99    HD3  ARG  13           1HD      ARG  13   3.801  -0.645   5.758
  100    HE   ARG  13           HE       ARG  13   1.235  -0.291   6.135
  101   HH11  ARG  13          1HH1      ARG  13   3.207  -3.235   6.368
  102   HH12  ARG  13          2HH1      ARG  13   2.115  -4.083   7.339
  103   HH21  ARG  13          1HH2      ARG  13  -0.299  -1.466   7.474
  104   HH22  ARG  13          2HH2      ARG  13   0.046  -3.059   7.965
  105    H    ABA  14           H        ABA  14   1.682  -3.396   3.179
  106    HA   ABA  14           HA       ABA  14  -0.204  -2.899   1.035
  107    HB3  ABA  14           1HB      ABA  14  -0.306  -4.914   3.296
  108    HB2  ABA  14           2HB      ABA  14   0.320  -5.242   1.686
  109    HG1  ABA  14           3HG      ABA  14  -1.937  -6.110   1.939
  110    HG3  ABA  14           1HG      ABA  14  -1.890  -4.824   0.734
  111    HG2  ABA  14           2HG      ABA  14  -2.520  -4.496   2.346
  112    H    VAL  15           H        VAL  15  -1.135  -1.014   1.424
  113    HA   VAL  15           HA       VAL  15  -2.310  -0.588   4.052
  114    HB   VAL  15           HB       VAL  15  -2.844   1.739   3.262
  115   HG11  VAL  15          1HG1      VAL  15  -0.804   1.319   4.522
  116   HG12  VAL  15          2HG1      VAL  15  -0.557   2.597   3.333
  117   HG13  VAL  15          3HG1      VAL  15   0.062   0.980   3.022
  118   HG21  VAL  15          3HG2      VAL  15  -1.214   0.978   0.823
  119   HG22  VAL  15          1HG2      VAL  15  -1.780   2.603   1.212
  120   HG23  VAL  15          2HG2      VAL  15  -2.941   1.330   0.843
  121    H    CYS  16           H        CYS  16  -4.373  -1.041   4.391
  122    HA   CYS  16           HA       CYS  16  -5.923  -1.481   2.008
  123    HB2  CYS  16           2HB      CYS  16  -6.465  -2.421   4.837
  124    HB3  CYS  16           1HB      CYS  16  -7.461  -2.803   3.440
  125    H    ARG  17           H        ARG  17  -7.496  -0.227   1.467
  126    HA   ARG  17           HA       ARG  17  -8.457   1.792   3.386
  127    HB2  ARG  17           2HB      ARG  17  -7.684   2.234   0.495
  128    HB3  ARG  17           1HB      ARG  17  -8.373   3.444   1.563
  129    HG2  ARG  17           2HG      ARG  17  -6.379   3.384   2.951
  130    HG3  ARG  17           1HG      ARG  17  -5.703   2.104   1.945
  131    HD2  ARG  17           2HD      ARG  17  -4.757   4.272   1.350
  132    HD3  ARG  17           1HD      ARG  17  -5.699   3.603   0.020
  133    HE   ARG  17           HE       ARG  17  -7.266   5.296   1.656
  134   HH11  ARG  17          1HH1      ARG  17  -4.818   5.377  -0.873
  135   HH12  ARG  17          2HH1      ARG  17  -5.219   6.898  -1.475
  136   HH21  ARG  17          1HH2      ARG  17  -7.893   7.422   0.832
  137   HH22  ARG  17          2HH2      ARG  17  -7.043   8.104  -0.463
  138    H    ARG  18           H        ARG  18 -10.562   1.292   3.600
  139    HA   ARG  18           HA       ARG  18 -12.754   0.933   3.132
  140    HB2  ARG  18           2HB      ARG  18 -12.431   2.935   1.711
  141    HB3  ARG  18           1HB      ARG  18 -11.930   1.920   0.379
  142    HG2  ARG  18           2HG      ARG  18 -14.201   1.041   0.203
  143    HG3  ARG  18           1HG      ARG  18 -14.688   2.022   1.595
  144    HD2  ARG  18           2HD      ARG  18 -14.161   4.038   0.434
  145    HD3  ARG  18           1HD      ARG  18 -13.494   3.145  -0.930
  146    HE   ARG  18           HE       ARG  18 -16.111   2.345  -0.664
  147   HH11  ARG  18          1HH1      ARG  18 -14.508   5.469  -1.133
  148   HH12  ARG  18          2HH1      ARG  18 -15.650   6.065  -2.242
  149   HH21  ARG  18          1HH2      ARG  18 -17.720   3.182  -2.188
  150   HH22  ARG  18          2HH2      ARG  18 -17.529   4.740  -2.828
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1 -10.934  -1.868   3.417
    2    HA2  GLY   1           2HA      GLY   1 -10.547  -4.172   3.224
    3    HA3  GLY   1           1HA      GLY   1 -12.112  -4.345   2.450
    4    H    VAL   2           H        VAL   2 -10.501  -1.854   0.953
    5    HA   VAL   2           HA       VAL   2  -9.612  -3.619  -1.214
    6    HB   VAL   2           HB       VAL   2 -10.025  -0.607  -1.232
    7   HG11  VAL   2          1HG1      VAL   2  -8.421  -1.360  -2.903
    8   HG12  VAL   2          2HG1      VAL   2  -9.908  -0.814  -3.676
    9   HG13  VAL   2          3HG1      VAL   2  -9.582  -2.539  -3.507
   10   HG21  VAL   2          3HG2      VAL   2 -12.073  -1.024  -2.488
   11   HG22  VAL   2          1HG2      VAL   2 -12.140  -1.768  -0.894
   12   HG23  VAL   2          2HG2      VAL   2 -11.828  -2.766  -2.314
   13    H    CYS   3           H        CYS   3  -7.468  -3.914  -1.362
   14    HA   CYS   3           HA       CYS   3  -5.913  -2.096   0.246
   15    HB2  CYS   3           2HB      CYS   3  -5.293  -4.925  -0.532
   16    HB3  CYS   3           1HB      CYS   3  -4.242  -3.882   0.418
   17    H    ARG   4           H        ARG   4  -4.328  -1.011  -0.469
   18    HA   ARG   4           HA       ARG   4  -3.484  -1.411  -3.263
   19    HB2  ARG   4           2HB      ARG   4  -4.580   0.728  -3.051
   20    HB3  ARG   4           1HB      ARG   4  -3.674   1.127  -1.613
   21    HG2  ARG   4           2HG      ARG   4  -2.981   2.382  -3.581
   22    HG3  ARG   4           1HG      ARG   4  -1.670   1.447  -2.873
   23    HD2  ARG   4           2HD      ARG   4  -1.689   1.375  -5.348
   24    HD3  ARG   4           1HD      ARG   4  -1.836  -0.212  -4.608
   25    HE   ARG   4           HE       ARG   4  -4.359   0.245  -5.035
   26   HH11  ARG   4          1HH1      ARG   4  -1.780   1.334  -7.213
   27   HH12  ARG   4          2HH1      ARG   4  -2.611   0.901  -8.622
   28   HH21  ARG   4          1HH2      ARG   4  -5.492  -0.330  -6.965
   29   HH22  ARG   4          2HH2      ARG   4  -4.735  -0.091  -8.495
   30    H    ABA   5           H        ABA   5  -1.504  -2.161  -3.476
   31    HA   ABA   5           HA       ABA   5   0.336  -1.899  -1.205
   32    HB3  ABA   5           1HB      ABA   5   0.290  -3.968  -3.413
   33    HB2  ABA   5           2HB      ABA   5  -0.307  -4.217  -1.779
   34    HG1  ABA   5           3HG      ABA   5   2.552  -3.655  -2.531
   35    HG3  ABA   5           1HG      ABA   5   1.884  -5.221  -2.066
   36    HG2  ABA   5           2HG      ABA   5   1.943  -3.901  -0.896
   37    H    VAL   6           H        VAL   6   1.866  -0.485  -1.450
   38    HA   VAL   6           HA       VAL   6   2.976  -0.107  -4.119
   39    HB   VAL   6           HB       VAL   6   3.676   2.181  -3.376
   40   HG11  VAL   6          1HG1      VAL   6   1.467   3.241  -3.596
   41   HG12  VAL   6          2HG1      VAL   6   0.705   1.678  -3.294
   42   HG13  VAL   6          3HG1      VAL   6   1.682   1.912  -4.740
   43   HG21  VAL   6          3HG2      VAL   6   2.568   3.211  -1.416
   44   HG22  VAL   6          1HG2      VAL   6   3.624   1.874  -0.956
   45   HG23  VAL   6          2HG2      VAL   6   1.878   1.640  -1.003
   46    H    CYS   7           H        CYS   7   5.140  -0.394  -4.301
   47    HA   CYS   7           HA       CYS   7   6.456  -1.136  -1.816
   48    HB2  CYS   7           2HB      CYS   7   7.108  -2.102  -4.607
   49    HB3  CYS   7           1HB      CYS   7   7.855  -2.651  -3.110
   50    H    ARG   8           H        ARG   8   8.291  -0.246  -1.257
   51    HA   ARG   8           HA       ARG   8   9.506   1.668  -3.120
   52    HB2  ARG   8           2HB      ARG   8   8.943   2.165  -0.195
   53    HB3  ARG   8           1HB      ARG   8   9.791   3.257  -1.274
   54    HG2  ARG   8           2HG      ARG   8   7.733   3.523  -2.587
   55    HG3  ARG   8           1HG      ARG   8   6.903   2.446  -1.463
   56    HD2  ARG   8           2HD      ARG   8   8.163   5.105  -0.795
   57    HD3  ARG   8           1HD      ARG   8   6.438   4.748  -0.895
   58    HE   ARG   8           HE       ARG   8   7.817   3.080   0.972
   59   HH11  ARG   8          1HH1      ARG   8   6.248   6.228   0.596
   60   HH12  ARG   8          2HH1      ARG   8   5.963   6.444   2.258
   61   HH21  ARG   8          1HH2      ARG   8   7.455   3.356   3.189
   62   HH22  ARG   8          2HH2      ARG   8   6.665   4.743   3.809
   63    H    ARG   9           H        ARG   9  11.478   1.006  -3.387
   64    HA   ARG   9           HA       ARG   9  13.561   0.205  -3.084
   65    HB2  ARG   9           2HB      ARG   9  13.560   2.092  -1.372
   66    HB3  ARG   9           1HB      ARG   9  13.210   0.884  -0.147
   67    HG2  ARG   9           2HG      ARG   9  15.334  -0.266  -0.787
   68    HG3  ARG   9           1HG      ARG   9  15.690   1.107  -1.835
   69    HD2  ARG   9           2HD      ARG   9  15.532   2.592   0.132
   70    HD3  ARG   9           1HD      ARG   9  15.284   1.176   1.145
   71    HE   ARG   9           HE       ARG   9  17.684   1.445  -0.505
   72   HH11  ARG   9          1HH1      ARG   9  16.234   0.942   2.706
   73   HH12  ARG   9          2HH1      ARG   9  17.743   0.721   3.473
   74   HH21  ARG   9          1HH2      ARG   9  19.713   1.189   0.592
   75   HH22  ARG   9          2HH2      ARG   9  19.739   0.870   2.275
   76    H    GLY  10           H        GLY  10  11.382  -1.582  -2.940
   77    HA2  GLY  10           2HA      GLY  10  11.382  -3.913  -2.838
   78    HA3  GLY  10           1HA      GLY  10  12.787  -3.842  -1.783
   79    H    VAL  11           H        VAL  11  10.680  -1.688  -0.477
   80    HA   VAL  11           HA       VAL  11   9.700  -3.733   1.356
   81    HB   VAL  11           HB       VAL  11   9.860  -0.727   1.757
   82   HG11  VAL  11          1HG1      VAL  11   9.433  -1.247   4.126
   83   HG12  VAL  11          2HG1      VAL  11   9.272  -2.951   3.715
   84   HG13  VAL  11          3HG1      VAL  11   8.107  -1.781   3.094
   85   HG21  VAL  11          3HG2      VAL  11  11.673  -2.895   2.832
   86   HG22  VAL  11          1HG2      VAL  11  11.747  -1.190   3.270
   87   HG23  VAL  11          2HG2      VAL  11  12.107  -1.696   1.619
   88    H    CYS  12           H        CYS  12   7.660  -4.311   0.970
   89    HA   CYS  12           HA       CYS  12   6.050  -2.458  -0.498
   90    HB2  CYS  12           2HB      CYS  12   5.570  -5.329   0.178
   91    HB3  CYS  12           1HB      CYS  12   4.479  -4.341  -0.777
   92    H    ARG  13           H        ARG  13   4.552  -1.374   0.247
   93    HA   ARG  13           HA       ARG  13   3.544  -1.877   2.968
   94    HB2  ARG  13           2HB      ARG  13   4.907   0.141   2.907
   95    HB3  ARG  13           1HB      ARG  13   4.046   0.726   1.500
   96    HG2  ARG  13           2HG      ARG  13   3.434   1.954   3.490
   97    HG3  ARG  13           1HG      ARG  13   2.057   1.081   2.828
   98    HD2  ARG  13           2HD      ARG  13   2.181  -0.569   4.561
   99    HD3  ARG  13           1HD      ARG  13   3.730   0.055   5.129
  100    HE   ARG  13           HE       ARG  13   2.615   2.008   5.910
  101   HH11  ARG  13          1HH1      ARG  13   0.347  -0.618   5.025
  102   HH12  ARG  13          2HH1      ARG  13  -0.897  -0.006   5.975
  103   HH21  ARG  13          1HH2      ARG  13   0.836   2.805   7.224
  104   HH22  ARG  13          2HH2      ARG  13  -0.633   1.955   7.263
  105    H    ABA  14           H        ABA  14   1.488  -2.482   2.934
  106    HA   ABA  14           HA       ABA  14  -0.122  -1.584   0.692
  107    HB3  ABA  14           1HB      ABA  14   0.044  -3.996   0.645
  108    HB2  ABA  14           2HB      ABA  14  -1.589  -3.558   1.115
  109    HG1  ABA  14           3HG      ABA  14   0.577  -4.514   2.966
  110    HG3  ABA  14           1HG      ABA  14  -0.817  -5.439   2.407
  111    HG2  ABA  14           2HG      ABA  14  -1.050  -4.034   3.453
  112    H    VAL  15           H        VAL  15  -1.526  -0.203   1.023
  113    HA   VAL  15           HA       VAL  15  -2.496   0.198   3.734
  114    HB   VAL  15           HB       VAL  15  -3.219   2.486   2.961
  115   HG11  VAL  15          1HG1      VAL  15  -1.110   2.239   4.140
  116   HG12  VAL  15          2HG1      VAL  15  -0.970   3.487   2.901
  117   HG13  VAL  15          3HG1      VAL  15  -0.282   1.888   2.622
  118   HG21  VAL  15          3HG2      VAL  15  -3.392   2.038   0.559
  119   HG22  VAL  15          1HG2      VAL  15  -1.645   1.809   0.463
  120   HG23  VAL  15          2HG2      VAL  15  -2.307   3.394   0.871
  121    H    CYS  16           H        CYS  16  -4.532  -0.329   4.136
  122    HA   CYS  16           HA       CYS  16  -6.109  -0.945   1.792
  123    HB2  CYS  16           2HB      CYS  16  -6.420  -2.043   4.593
  124    HB3  CYS  16           1HB      CYS  16  -7.390  -2.504   3.202
  125    H    ARG  17           H        ARG  17  -8.202  -0.256   1.604
  126    HA   ARG  17           HA       ARG  17  -9.374   1.279   3.763
  127    HB2  ARG  17           2HB      ARG  17  -9.993   3.178   2.336
  128    HB3  ARG  17           1HB      ARG  17  -8.255   3.002   2.404
  129    HG2  ARG  17           2HG      ARG  17  -8.285   1.975   0.173
  130    HG3  ARG  17           1HG      ARG  17 -10.038   2.181   0.119
  131    HD2  ARG  17           2HD      ARG  17  -7.993   4.385   0.363
  132    HD3  ARG  17           1HD      ARG  17  -8.908   3.990  -1.087
  133    HE   ARG  17           HE       ARG  17 -10.918   4.506   0.451
  134   HH11  ARG  17          1HH1      ARG  17  -7.838   6.236   0.493
  135   HH12  ARG  17          2HH1      ARG  17  -8.497   7.714   1.035
  136   HH21  ARG  17          1HH2      ARG  17 -11.832   6.510   1.187
  137   HH22  ARG  17          2HH2      ARG  17 -10.860   7.871   1.444
  138    H    ARG  18           H        ARG  18 -11.292   0.531   4.098
  139    HA   ARG  18           HA       ARG  18 -13.347  -0.399   3.862
  140    HB2  ARG  18           2HB      ARG  18 -13.565   1.499   2.148
  141    HB3  ARG  18           1HB      ARG  18 -13.181   0.313   0.919
  142    HG2  ARG  18           2HG      ARG  18 -15.192  -0.974   1.608
  143    HG3  ARG  18           1HG      ARG  18 -15.606   0.342   2.707
  144    HD2  ARG  18           2HD      ARG  18 -16.833   0.666   0.676
  145    HD3  ARG  18           1HD      ARG  18 -15.555   1.882   0.759
  146    HE   ARG  18           HE       ARG  18 -14.903  -0.534  -0.680
  147   HH11  ARG  18          1HH1      ARG  18 -16.002   2.841  -0.977
  148   HH12  ARG  18          2HH1      ARG  18 -15.759   2.916  -2.646
  149   HH21  ARG  18          1HH2      ARG  18 -14.559  -0.429  -2.945
  150   HH22  ARG  18          2HH2      ARG  18 -14.904   0.980  -3.830
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1 -11.224  -0.814   2.974
    2    HA2  GLY   1           2HA      GLY   1 -11.902  -2.971   2.586
    3    HA3  GLY   1           1HA      GLY   1 -13.159  -2.344   1.529
    4    H    VAL   2           H        VAL   2 -10.032  -1.159   0.772
    5    HA   VAL   2           HA       VAL   2  -9.662  -3.325  -1.175
    6    HB   VAL   2           HB       VAL   2  -9.093  -0.383  -1.667
    7   HG11  VAL   2          1HG1      VAL   2  -8.937  -2.749  -3.534
    8   HG12  VAL   2          2HG1      VAL   2  -7.570  -1.864  -2.855
    9   HG13  VAL   2          3HG1      VAL   2  -8.663  -1.066  -3.984
   10   HG21  VAL   2          3HG2      VAL   2 -11.309  -2.091  -2.802
   11   HG22  VAL   2          1HG2      VAL   2 -10.933  -0.438  -3.299
   12   HG23  VAL   2          2HG2      VAL   2 -11.493  -0.757  -1.662
   13    H    CYS   3           H        CYS   3  -7.727  -4.254  -0.933
   14    HA   CYS   3           HA       CYS   3  -5.749  -2.787   0.578
   15    HB2  CYS   3           2HB      CYS   3  -5.838  -5.676  -0.182
   16    HB3  CYS   3           1HB      CYS   3  -4.511  -4.939   0.686
   17    H    ARG   4           H        ARG   4  -4.242  -1.885  -0.265
   18    HA   ARG   4           HA       ARG   4  -3.492  -2.561  -3.038
   19    HB2  ARG   4           2HB      ARG   4  -4.614  -0.378  -2.877
   20    HB3  ARG   4           1HB      ARG   4  -3.424   0.154  -1.703
   21    HG2  ARG   4           2HG      ARG   4  -3.002   1.082  -3.890
   22    HG3  ARG   4           1HG      ARG   4  -1.681   0.038  -3.365
   23    HD2  ARG   4           2HD      ARG   4  -2.552  -1.778  -4.739
   24    HD3  ARG   4           1HD      ARG   4  -3.900  -0.761  -5.256
   25    HE   ARG   4           HE       ARG   4  -2.093   0.727  -6.150
   26   HH11  ARG   4          1HH1      ARG   4  -1.672  -2.805  -5.942
   27   HH12  ARG   4          2HH1      ARG   4  -0.666  -2.909  -7.298
   28   HH21  ARG   4          1HH2      ARG   4  -0.698   0.562  -8.038
   29   HH22  ARG   4          2HH2      ARG   4  -0.115  -0.959  -8.543
   30    H    ABA   5           H        ABA   5  -1.505  -3.347  -3.236
   31    HA   ABA   5           HA       ABA   5   0.386  -2.988  -1.068
   32    HB3  ABA   5           1HB      ABA   5   0.551  -4.736  -3.538
   33    HB2  ABA   5           2HB      ABA   5  -0.026  -5.267  -1.965
   34    HG1  ABA   5           3HG      ABA   5   2.264  -5.987  -2.355
   35    HG3  ABA   5           1HG      ABA   5   2.181  -4.854  -1.005
   36    HG2  ABA   5           2HG      ABA   5   2.763  -4.309  -2.577
   37    H    VAL   6           H        VAL   6   1.450  -1.166  -1.178
   38    HA   VAL   6           HA       VAL   6   2.513  -0.392  -3.771
   39    HB   VAL   6           HB       VAL   6   1.068   1.351  -2.778
   40   HG11  VAL   6          1HG1      VAL   6   1.710   2.564  -0.748
   41   HG12  VAL   6          2HG1      VAL   6   3.011   1.399  -0.476
   42   HG13  VAL   6          3HG1      VAL   6   1.334   0.870  -0.426
   43   HG21  VAL   6          3HG2      VAL   6   2.870   2.099  -4.202
   44   HG22  VAL   6          1HG2      VAL   6   3.987   2.103  -2.837
   45   HG23  VAL   6          2HG2      VAL   6   2.653   3.250  -2.883
   46    H    CYS   7           H        CYS   7   4.701  -0.241  -4.010
   47    HA   CYS   7           HA       CYS   7   6.176  -1.000  -1.621
   48    HB2  CYS   7           2HB      CYS   7   6.914  -1.646  -4.479
   49    HB3  CYS   7           1HB      CYS   7   7.780  -2.168  -3.043
   50    H    ARG   8           H        ARG   8   7.944   0.128  -1.086
   51    HA   ARG   8           HA       ARG   8   8.778   2.256  -2.923
   52    HB2  ARG   8           2HB      ARG   8   8.206   2.596   0.031
   53    HB3  ARG   8           1HB      ARG   8   9.101   3.763  -0.927
   54    HG2  ARG   8           2HG      ARG   8   6.228   2.947  -1.375
   55    HG3  ARG   8           1HG      ARG   8   6.783   4.455  -0.642
   56    HD2  ARG   8           2HD      ARG   8   7.954   5.017  -2.751
   57    HD3  ARG   8           1HD      ARG   8   7.330   3.533  -3.464
   58    HE   ARG   8           HE       ARG   8   5.282   5.200  -2.418
   59   HH11  ARG   8          1HH1      ARG   8   7.351   4.648  -5.241
   60   HH12  ARG   8          2HH1      ARG   8   6.306   5.440  -6.330
   61   HH21  ARG   8          1HH2      ARG   8   3.864   6.316  -3.954
   62   HH22  ARG   8          2HH2      ARG   8   4.301   6.364  -5.602
   63    H    ARG   9           H        ARG   9  10.679   1.738  -3.511
   64    HA   ARG   9           HA       ARG   9  12.855   1.283  -3.553
   65    HB2  ARG   9           2HB      ARG   9  12.858   3.162  -1.804
   66    HB3  ARG   9           1HB      ARG   9  12.969   1.903  -0.587
   67    HG2  ARG   9           2HG      ARG   9  15.091   1.159  -1.557
   68    HG3  ARG   9           1HG      ARG   9  14.967   2.422  -2.781
   69    HD2  ARG   9           2HD      ARG   9  16.430   3.212  -1.070
   70    HD3  ARG   9           1HD      ARG   9  14.917   4.095  -0.938
   71    HE   ARG   9           HE       ARG   9  14.985   1.806   0.751
   72   HH11  ARG   9          1HH1      ARG   9  16.013   5.195   0.500
   73   HH12  ARG   9          2HH1      ARG   9  16.253   5.402   2.166
   74   HH21  ARG   9          1HH2      ARG   9  15.266   2.132   3.098
   75   HH22  ARG   9          2HH2      ARG   9  15.787   3.638   3.675
   76    H    GLY  10           H        GLY  10  10.932  -0.713  -3.003
   77    HA2  GLY  10           2HA      GLY  10  11.389  -3.039  -3.072
   78    HA3  GLY  10           1HA      GLY  10  12.759  -2.771  -2.006
   79    H    VAL  11           H        VAL  11  10.597  -0.940  -0.509
   80    HA   VAL  11           HA       VAL  11   9.939  -3.134   1.280
   81    HB   VAL  11           HB       VAL  11   9.610  -0.142   1.678
   82   HG11  VAL  11          1HG1      VAL  11   9.301  -0.684   4.045
   83   HG12  VAL  11          2HG1      VAL  11   9.408  -2.405   3.666
   84   HG13  VAL  11          3HG1      VAL  11   8.061  -1.446   3.048
   85   HG21  VAL  11          3HG2      VAL  11  11.744  -2.012   2.701
   86   HG22  VAL  11          1HG2      VAL  11  11.551  -0.323   3.169
   87   HG23  VAL  11          2HG2      VAL  11  11.956  -0.737   1.501
   88    H    CYS  12           H        CYS  12   8.063  -4.084   0.885
   89    HA   CYS  12           HA       CYS  12   6.076  -2.479  -0.415
   90    HB2  CYS  12           2HB      CYS  12   6.143  -5.446   0.006
   91    HB3  CYS  12           1HB      CYS  12   4.855  -4.589  -0.822
   92    H    ARG  13           H        ARG  13   4.342  -1.837   0.407
   93    HA   ARG  13           HA       ARG  13   3.525  -2.815   3.051
   94    HB2  ARG  13           2HB      ARG  13   4.423  -0.600   3.369
   95    HB3  ARG  13           1HB      ARG  13   3.506   0.018   2.001
   96    HG2  ARG  13           2HG      ARG  13   2.502   0.755   4.059
   97    HG3  ARG  13           1HG      ARG  13   1.437  -0.362   3.211
   98    HD2  ARG  13           2HD      ARG  13   2.346  -2.181   4.722
   99    HD3  ARG  13           1HD      ARG  13   3.114  -0.890   5.651
  100    HE   ARG  13           HE       ARG  13   0.432  -0.242   5.348
  101   HH11  ARG  13          1HH1      ARG  13   2.439  -2.529   7.190
  102   HH12  ARG  13          2HH1      ARG  13   1.201  -2.970   8.252
  103   HH21  ARG  13          1HH2      ARG  13  -1.259  -0.810   6.845
  104   HH22  ARG  13          2HH2      ARG  13  -0.955  -1.932   8.086
  105    H    ABA  14           H        ABA  14   1.628  -3.747   3.007
  106    HA   ABA  14           HA       ABA  14  -0.210  -3.263   0.826
  107    HB3  ABA  14           1HB      ABA  14  -0.438  -5.107   3.226
  108    HB2  ABA  14           2HB      ABA  14   0.204  -5.580   1.659
  109    HG1  ABA  14           3HG      ABA  14  -2.616  -4.686   2.204
  110    HG3  ABA  14           1HG      ABA  14  -2.083  -6.345   1.933
  111    HG2  ABA  14           2HG      ABA  14  -1.972  -5.161   0.632
  112    H    VAL  15           H        VAL  15  -1.161  -1.377   1.041
  113    HA   VAL  15           HA       VAL  15  -2.061  -0.396   3.629
  114    HB   VAL  15           HB       VAL  15  -2.222   0.881   0.879
  115   HG11  VAL  15          1HG1      VAL  15  -3.860   1.780   2.446
  116   HG12  VAL  15          2HG1      VAL  15  -2.613   2.966   2.067
  117   HG13  VAL  15          3HG1      VAL  15  -2.570   2.109   3.605
  118   HG21  VAL  15          3HG2      VAL  15  -0.198   1.333   3.071
  119   HG22  VAL  15          1HG2      VAL  15  -0.314   2.258   1.573
  120   HG23  VAL  15          2HG2      VAL  15   0.099   0.542   1.526
  121    H    CYS  16           H        CYS  16  -4.022  -1.162   4.229
  122    HA   CYS  16           HA       CYS  16  -5.903  -1.639   2.085
  123    HB2  CYS  16           2HB      CYS  16  -6.071  -2.546   4.968
  124    HB3  CYS  16           1HB      CYS  16  -7.241  -2.928   3.713
  125    H    ARG  17           H        ARG  17  -7.467  -0.310   1.720
  126    HA   ARG  17           HA       ARG  17  -8.507   1.323   3.843
  127    HB2  ARG  17           2HB      ARG  17  -8.207   3.435   2.457
  128    HB3  ARG  17           1HB      ARG  17  -6.787   2.795   3.256
  129    HG2  ARG  17           2HG      ARG  17  -6.054   1.800   1.136
  130    HG3  ARG  17           1HG      ARG  17  -7.470   2.492   0.338
  131    HD2  ARG  17           2HD      ARG  17  -5.385   4.103   1.808
  132    HD3  ARG  17           1HD      ARG  17  -5.386   3.846   0.062
  133    HE   ARG  17           HE       ARG  17  -7.801   4.795   0.412
  134   HH11  ARG  17          1HH1      ARG  17  -4.795   6.017   1.857
  135   HH12  ARG  17          2HH1      ARG  17  -5.243   7.645   1.791
  136   HH21  ARG  17          1HH2      ARG  17  -8.429   7.068   0.303
  137   HH22  ARG  17          2HH2      ARG  17  -7.348   8.260   0.849
  138    H    ARG  18           H        ARG  18 -10.525   1.685   3.700
  139    HA   ARG  18           HA       ARG  18 -12.642   1.516   3.144
  140    HB2  ARG  18           2HB      ARG  18 -12.011   3.545   1.863
  141    HB3  ARG  18           1HB      ARG  18 -11.704   2.546   0.454
  142    HG2  ARG  18           2HG      ARG  18 -13.884   3.830   0.465
  143    HG3  ARG  18           1HG      ARG  18 -14.018   2.101   0.153
  144    HD2  ARG  18           2HD      ARG  18 -15.734   3.034   1.734
  145    HD3  ARG  18           1HD      ARG  18 -14.803   1.677   2.365
  146    HE   ARG  18           HE       ARG  18 -13.723   4.244   3.050
  147   HH11  ARG  18          1HH1      ARG  18 -16.194   1.880   3.998
  148   HH12  ARG  18          2HH1      ARG  18 -16.099   2.246   5.651
  149   HH21  ARG  18          1HH2      ARG  18 -13.593   4.710   5.302
  150   HH22  ARG  18          2HH2      ARG  18 -14.591   3.897   6.429
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1 -10.974  -1.514   3.355
    2    HA2  GLY   1           2HA      GLY   1 -11.199  -3.847   3.197
    3    HA3  GLY   1           1HA      GLY   1 -12.667  -3.612   2.266
    4    H    VAL   2           H        VAL   2 -10.496  -1.594   0.840
    5    HA   VAL   2           HA       VAL   2  -9.772  -3.660  -1.114
    6    HB   VAL   2           HB       VAL   2  -9.948  -0.647  -1.467
    7   HG11  VAL   2          1HG1      VAL   2  -8.308  -1.688  -2.955
    8   HG12  VAL   2          2HG1      VAL   2  -9.699  -1.093  -3.853
    9   HG13  VAL   2          3HG1      VAL   2  -9.536  -2.822  -3.525
   10   HG21  VAL   2          3HG2      VAL   2 -11.945  -1.085  -2.830
   11   HG22  VAL   2          1HG2      VAL   2 -12.168  -1.618  -1.163
   12   HG23  VAL   2          2HG2      VAL   2 -11.838  -2.796  -2.434
   13    H    CYS   3           H        CYS   3  -7.643  -4.161  -1.173
   14    HA   CYS   3           HA       CYS   3  -5.918  -2.368   0.316
   15    HB2  CYS   3           2HB      CYS   3  -5.523  -5.265  -0.344
   16    HB3  CYS   3           1HB      CYS   3  -4.368  -4.266   0.526
   17    H    ARG   4           H        ARG   4  -4.335  -1.396  -0.449
   18    HA   ARG   4           HA       ARG   4  -3.478  -1.858  -3.235
   19    HB2  ARG   4           2HB      ARG   4  -4.622   0.292  -2.963
   20    HB3  ARG   4           1HB      ARG   4  -3.604   0.677  -1.593
   21    HG2  ARG   4           2HG      ARG   4  -2.946   1.969  -3.510
   22    HG3  ARG   4           1HG      ARG   4  -1.673   0.846  -3.057
   23    HD2  ARG   4           2HD      ARG   4  -3.655   0.129  -5.179
   24    HD3  ARG   4           1HD      ARG   4  -2.305   1.184  -5.569
   25    HE   ARG   4           HE       ARG   4  -0.909  -0.746  -4.638
   26   HH11  ARG   4          1HH1      ARG   4  -3.985  -1.268  -6.320
   27   HH12  ARG   4          2HH1      ARG   4  -3.482  -2.712  -7.059
   28   HH21  ARG   4          1HH2      ARG   4  -0.228  -2.740  -5.675
   29   HH22  ARG   4          2HH2      ARG   4  -1.320  -3.566  -6.667
   30    H    ABA   5           H        ABA   5  -1.537  -2.692  -3.263
   31    HA   ABA   5           HA       ABA   5   0.298  -2.164  -1.060
   32    HB3  ABA   5           1HB      ABA   5   0.513  -4.182  -3.308
   33    HB2  ABA   5           2HB      ABA   5  -0.114  -4.532  -1.701
   34    HG1  ABA   5           3HG      ABA   5   2.064  -3.983  -0.738
   35    HG3  ABA   5           1HG      ABA   5   2.689  -3.665  -2.356
   36    HG2  ABA   5           2HG      ABA   5   2.166  -5.294  -1.913
   37    H    VAL   6           H        VAL   6   1.767  -0.718  -1.304
   38    HA   VAL   6           HA       VAL   6   2.663   0.076  -3.986
   39    HB   VAL   6           HB       VAL   6   2.621   1.752  -1.442
   40   HG11  VAL   6          1HG1      VAL   6   3.353   2.528  -4.264
   41   HG12  VAL   6          2HG1      VAL   6   4.467   2.357  -2.908
   42   HG13  VAL   6          3HG1      VAL   6   3.248   3.635  -2.896
   43   HG21  VAL   6          3HG2      VAL   6   0.865   1.955  -3.892
   44   HG22  VAL   6          1HG2      VAL   6   0.884   3.102  -2.550
   45   HG23  VAL   6          2HG2      VAL   6   0.361   1.439  -2.283
   46    H    CYS   7           H        CYS   7   4.748  -0.456  -4.324
   47    HA   CYS   7           HA       CYS   7   6.315  -1.185  -1.965
   48    HB2  CYS   7           2HB      CYS   7   6.800  -1.996  -4.839
   49    HB3  CYS   7           1HB      CYS   7   7.658  -2.594  -3.421
   50    H    ARG   8           H        ARG   8   8.022  -0.170  -1.338
   51    HA   ARG   8           HA       ARG   8   9.298   1.707  -3.179
   52    HB2  ARG   8           2HB      ARG   8   8.387   2.400  -0.374
   53    HB3  ARG   8           1HB      ARG   8   9.462   3.384  -1.347
   54    HG2  ARG   8           2HG      ARG   8   6.580   2.757  -1.938
   55    HG3  ARG   8           1HG      ARG   8   7.226   4.302  -1.365
   56    HD2  ARG   8           2HD      ARG   8   7.746   2.967  -4.025
   57    HD3  ARG   8           1HD      ARG   8   6.822   4.437  -3.740
   58    HE   ARG   8           HE       ARG   8   9.331   4.954  -2.749
   59   HH11  ARG   8          1HH1      ARG   8   8.017   4.029  -5.905
   60   HH12  ARG   8          2HH1      ARG   8   9.239   4.821  -6.790
   61   HH21  ARG   8          1HH2      ARG   8  11.004   5.992  -3.977
   62   HH22  ARG   8          2HH2      ARG   8  10.956   5.952  -5.691
   63    H    ARG   9           H        ARG   9  11.378   1.444  -3.143
   64    HA   ARG   9           HA       ARG   9  13.502   0.939  -2.562
   65    HB2  ARG   9           2HB      ARG   9  12.937   2.662  -0.772
   66    HB3  ARG   9           1HB      ARG   9  12.580   1.330   0.304
   67    HG2  ARG   9           2HG      ARG   9  14.776   2.252   0.773
   68    HG3  ARG   9           1HG      ARG   9  14.918   0.600   0.180
   69    HD2  ARG   9           2HD      ARG   9  16.598   2.130  -0.793
   70    HD3  ARG   9           1HD      ARG   9  15.565   1.389  -2.016
   71    HE   ARG   9           HE       ARG   9  14.377   3.788  -1.407
   72   HH11  ARG   9          1HH1      ARG   9  17.633   2.916  -2.516
   73   HH12  ARG   9          2HH1      ARG   9  17.811   4.298  -3.481
   74   HH21  ARG   9          1HH2      ARG   9  14.622   5.639  -2.758
   75   HH22  ARG   9          2HH2      ARG   9  16.051   5.900  -3.641
   76    H    GLY  10           H        GLY  10  11.605  -1.121  -2.867
   77    HA2  GLY  10           2HA      GLY  10  11.744  -3.427  -2.919
   78    HA3  GLY  10           1HA      GLY  10  13.144  -3.336  -1.865
   79    H    VAL  11           H        VAL  11  10.436  -1.620  -0.722
   80    HA   VAL  11           HA       VAL  11   9.721  -3.853   1.029
   81    HB   VAL  11           HB       VAL  11   9.845  -0.896   1.728
   82   HG11  VAL  11          1HG1      VAL  11   9.133  -3.249   3.473
   83   HG12  VAL  11          2HG1      VAL  11   8.007  -2.032   2.879
   84   HG13  VAL  11          3HG1      VAL  11   9.286  -1.574   4.009
   85   HG21  VAL  11          3HG2      VAL  11  11.558  -3.196   2.670
   86   HG22  VAL  11          1HG2      VAL  11  11.627  -1.548   3.294
   87   HG23  VAL  11          2HG2      VAL  11  12.065  -1.879   1.614
   88    H    CYS  12           H        CYS  12   7.688  -4.420   0.708
   89    HA   CYS  12           HA       CYS  12   5.996  -2.558  -0.684
   90    HB2  CYS  12           2HB      CYS  12   5.588  -5.437  -0.088
   91    HB3  CYS  12           1HB      CYS  12   4.442  -4.441  -0.958
   92    H    ARG  13           H        ARG  13   4.707  -1.414   0.147
   93    HA   ARG  13           HA       ARG  13   3.835  -1.780   2.913
   94    HB2  ARG  13           2HB      ARG  13   4.882   0.332   2.507
   95    HB3  ARG  13           1HB      ARG  13   3.988   0.575   1.029
   96    HG2  ARG  13           2HG      ARG  13   3.284   2.062   2.805
   97    HG3  ARG  13           1HG      ARG  13   1.979   1.022   2.262
   98    HD2  ARG  13           2HD      ARG  13   2.079  -0.295   4.223
   99    HD3  ARG  13           1HD      ARG  13   3.638   0.388   4.693
  100    HE   ARG  13           HE       ARG  13   2.416   2.539   4.930
  101   HH11  ARG  13          1HH1      ARG  13   0.466  -0.427   5.228
  102   HH12  ARG  13          2HH1      ARG  13  -0.493   0.205   6.463
  103   HH21  ARG  13          1HH2      ARG  13   1.030   3.385   6.525
  104   HH22  ARG  13          2HH2      ARG  13  -0.193   2.436   7.229
  105    H    ABA  14           H        ABA  14   1.897  -2.597   3.184
  106    HA   ABA  14           HA       ABA  14  -0.020  -2.503   1.000
  107    HB3  ABA  14           1HB      ABA  14   0.066  -4.211   3.499
  108    HB2  ABA  14           2HB      ABA  14   0.530  -4.732   1.883
  109    HG1  ABA  14           3HG      ABA  14  -1.759  -4.455   1.111
  110    HG3  ABA  14           1HG      ABA  14  -2.233  -3.885   2.711
  111    HG2  ABA  14           2HG      ABA  14  -1.680  -5.542   2.499
  112    H    VAL  15           H        VAL  15  -1.464  -0.996   1.129
  113    HA   VAL  15           HA       VAL  15  -2.311   0.008   3.749
  114    HB   VAL  15           HB       VAL  15  -2.479   1.329   1.007
  115   HG11  VAL  15          1HG1      VAL  15  -3.110   3.356   2.216
  116   HG12  VAL  15          2HG1      VAL  15  -3.079   2.459   3.732
  117   HG13  VAL  15          3HG1      VAL  15  -4.262   2.046   2.491
  118   HG21  VAL  15          3HG2      VAL  15  -0.757   2.895   1.832
  119   HG22  VAL  15          1HG2      VAL  15  -0.166   1.236   1.725
  120   HG23  VAL  15          2HG2      VAL  15  -0.593   1.916   3.290
  121    H    CYS  16           H        CYS  16  -4.568  -0.132   4.099
  122    HA   CYS  16           HA       CYS  16  -6.054  -1.151   1.825
  123    HB2  CYS  16           2HB      CYS  16  -6.399  -2.080   4.687
  124    HB3  CYS  16           1HB      CYS  16  -7.421  -2.574   3.338
  125    H    ARG  17           H        ARG  17  -8.010  -0.237   1.440
  126    HA   ARG  17           HA       ARG  17  -8.957   1.745   3.345
  127    HB2  ARG  17           2HB      ARG  17  -8.475   2.180   0.398
  128    HB3  ARG  17           1HB      ARG  17  -9.412   3.260   1.417
  129    HG2  ARG  17           2HG      ARG  17  -7.460   3.707   2.778
  130    HG3  ARG  17           1HG      ARG  17  -6.515   2.577   1.813
  131    HD2  ARG  17           2HD      ARG  17  -6.805   3.962  -0.146
  132    HD3  ARG  17           1HD      ARG  17  -7.857   5.055   0.757
  133    HE   ARG  17           HE       ARG  17  -5.468   4.838   2.126
  134   HH11  ARG  17          1HH1      ARG  17  -6.563   6.148  -0.986
  135   HH12  ARG  17          2HH1      ARG  17  -5.409   7.386  -1.016
  136   HH21  ARG  17          1HH2      ARG  17  -3.886   6.524   2.074
  137   HH22  ARG  17          2HH2      ARG  17  -3.834   7.606   0.771
  138    H    ARG  18           H        ARG  18 -10.818   1.085   3.855
  139    HA   ARG  18           HA       ARG  18 -12.947   0.395   3.856
  140    HB2  ARG  18           2HB      ARG  18 -13.020   2.364   2.194
  141    HB3  ARG  18           1HB      ARG  18 -13.123   1.145   0.934
  142    HG2  ARG  18           2HG      ARG  18 -15.177   0.290   1.904
  143    HG3  ARG  18           1HG      ARG  18 -15.059   1.459   3.214
  144    HD2  ARG  18           2HD      ARG  18 -15.119   3.263   1.447
  145    HD3  ARG  18           1HD      ARG  18 -15.526   1.993   0.288
  146    HE   ARG  18           HE       ARG  18 -17.216   1.776   2.480
  147   HH11  ARG  18          1HH1      ARG  18 -16.743   3.951  -0.303
  148   HH12  ARG  18          2HH1      ARG  18 -18.316   4.572  -0.242
  149   HH21  ARG  18          1HH2      ARG  18 -19.342   2.651   2.570
  150   HH22  ARG  18          2HH2      ARG  18 -19.855   3.810   1.438
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1 -11.428  -1.061   2.883
    2    HA2  GLY   1           2HA      GLY   1 -11.931  -3.286   2.600
    3    HA3  GLY   1           1HA      GLY   1 -13.191  -2.813   1.475
    4    H    VAL   2           H        VAL   2 -10.192  -1.416   0.660
    5    HA   VAL   2           HA       VAL   2  -9.607  -3.640  -1.174
    6    HB   VAL   2           HB       VAL   2  -9.405  -0.673  -1.814
    7   HG11  VAL   2          1HG1      VAL   2  -8.869  -3.069  -3.570
    8   HG12  VAL   2          2HG1      VAL   2  -7.663  -1.957  -2.924
    9   HG13  VAL   2          3HG1      VAL   2  -8.853  -1.386  -4.098
   10   HG21  VAL   2          3HG2      VAL   2 -11.730  -1.391  -1.816
   11   HG22  VAL   2          1HG2      VAL   2 -11.326  -2.742  -2.876
   12   HG23  VAL   2          2HG2      VAL   2 -11.180  -1.089  -3.468
   13    H    CYS   3           H        CYS   3  -7.526  -4.310  -1.024
   14    HA   CYS   3           HA       CYS   3  -5.786  -2.631   0.560
   15    HB2  CYS   3           2HB      CYS   3  -5.452  -5.510  -0.189
   16    HB3  CYS   3           1HB      CYS   3  -4.369  -4.593   0.842
   17    H    ARG   4           H        ARG   4  -4.282  -1.612  -0.108
   18    HA   ARG   4           HA       ARG   4  -3.532  -1.805  -2.936
   19    HB2  ARG   4           2HB      ARG   4  -4.411   0.358  -2.197
   20    HB3  ARG   4           1HB      ARG   4  -3.148   0.457  -0.979
   21    HG2  ARG   4           2HG      ARG   4  -2.612   1.856  -2.879
   22    HG3  ARG   4           1HG      ARG   4  -1.458   0.538  -2.705
   23    HD2  ARG   4           2HD      ARG   4  -2.173   0.943  -5.067
   24    HD3  ARG   4           1HD      ARG   4  -2.471  -0.693  -4.475
   25    HE   ARG   4           HE       ARG   4  -4.698   1.062  -4.133
   26   HH11  ARG   4          1HH1      ARG   4  -3.102  -1.074  -6.429
   27   HH12  ARG   4          2HH1      ARG   4  -4.507  -1.427  -7.321
   28   HH21  ARG   4          1HH2      ARG   4  -6.611   0.585  -5.284
   29   HH22  ARG   4          2HH2      ARG   4  -6.590  -0.436  -6.656
   30    H    ABA   5           H        ABA   5  -1.573  -2.514  -3.464
   31    HA   ABA   5           HA       ABA   5   0.399  -2.931  -1.383
   32    HB3  ABA   5           1HB      ABA   5   0.446  -3.675  -4.326
   33    HB2  ABA   5           2HB      ABA   5  -0.078  -4.737  -3.026
   34    HG1  ABA   5           3HG      ABA   5   2.697  -3.637  -3.387
   35    HG3  ABA   5           1HG      ABA   5   2.171  -5.283  -3.733
   36    HG2  ABA   5           2HG      ABA   5   2.172  -4.687  -2.074
   37    H    VAL   6           H        VAL   6   1.541  -1.184  -0.901
   38    HA   VAL   6           HA       VAL   6   2.389   0.647  -3.028
   39    HB   VAL   6           HB       VAL   6   2.390   1.041  -0.015
   40   HG11  VAL   6          1HG1      VAL   6   4.103   2.365  -1.113
   41   HG12  VAL   6          2HG1      VAL   6   2.809   3.408  -0.519
   42   HG13  VAL   6          3HG1      VAL   6   2.905   3.012  -2.234
   43   HG21  VAL   6          3HG2      VAL   6   0.489   2.145  -2.080
   44   HG22  VAL   6          1HG2      VAL   6   0.506   2.582  -0.371
   45   HG23  VAL   6          2HG2      VAL   6   0.111   0.934  -0.855
   46    H    CYS   7           H        CYS   7   4.331  -0.066  -3.755
   47    HA   CYS   7           HA       CYS   7   6.164  -1.028  -1.735
   48    HB2  CYS   7           2HB      CYS   7   6.205  -1.517  -4.722
   49    HB3  CYS   7           1HB      CYS   7   7.426  -2.094  -3.595
   50    H    ARG   8           H        ARG   8   8.096  -0.096  -1.457
   51    HA   ARG   8           HA       ARG   8   8.975   1.984  -3.269
   52    HB2  ARG   8           2HB      ARG   8   9.366   3.493  -1.268
   53    HB3  ARG   8           1HB      ARG   8   7.697   3.328  -1.803
   54    HG2  ARG   8           2HG      ARG   8   7.277   1.773   0.036
   55    HG3  ARG   8           1HG      ARG   8   8.961   1.907   0.543
   56    HD2  ARG   8           2HD      ARG   8   7.423   3.317   1.887
   57    HD3  ARG   8           1HD      ARG   8   8.668   4.241   1.057
   58    HE   ARG   8           HE       ARG   8   6.969   4.793  -0.618
   59   HH11  ARG   8          1HH1      ARG   8   5.753   3.714   2.552
   60   HH12  ARG   8          2HH1      ARG   8   4.355   4.664   2.494
   61   HH21  ARG   8          1HH2      ARG   8   5.064   6.113  -0.683
   62   HH22  ARG   8          2HH2      ARG   8   3.966   6.096   0.611
   63    H    ARG   9           H        ARG   9  11.000   1.568  -3.691
   64    HA   ARG   9           HA       ARG   9  13.178   0.987  -3.544
   65    HB2  ARG   9           2HB      ARG   9  13.003   2.780  -1.744
   66    HB3  ARG   9           1HB      ARG   9  12.909   1.480  -0.570
   67    HG2  ARG   9           2HG      ARG   9  15.138   0.710  -1.327
   68    HG3  ARG   9           1HG      ARG   9  15.213   2.114  -2.396
   69    HD2  ARG   9           2HD      ARG   9  16.391   2.684  -0.417
   70    HD3  ARG   9           1HD      ARG   9  14.861   3.553  -0.395
   71    HE   ARG   9           HE       ARG   9  15.389   1.098   1.138
   72   HH11  ARG   9          1HH1      ARG   9  13.623   4.193   0.850
   73   HH12  ARG   9          2HH1      ARG   9  13.223   4.242   2.501
   74   HH21  ARG   9          1HH2      ARG   9  14.773   1.216   3.420
   75   HH22  ARG   9          2HH2      ARG   9  13.876   2.559   3.956
   76    H    GLY  10           H        GLY  10  11.296  -1.093  -3.428
   77    HA2  GLY  10           2HA      GLY  10  11.390  -3.402  -3.264
   78    HA3  GLY  10           1HA      GLY  10  12.951  -3.240  -2.470
   79    H    VAL  11           H        VAL  11  10.614  -1.334  -0.971
   80    HA   VAL  11           HA       VAL  11  10.129  -3.386   1.073
   81    HB   VAL  11           HB       VAL  11  10.027  -0.354   1.334
   82   HG11  VAL  11          1HG1      VAL  11   8.522  -1.476   2.879
   83   HG12  VAL  11          2HG1      VAL  11   9.879  -0.750   3.741
   84   HG13  VAL  11          3HG1      VAL  11   9.847  -2.490   3.451
   85   HG21  VAL  11          3HG2      VAL  11  12.078  -0.545   2.678
   86   HG22  VAL  11          1HG2      VAL  11  12.325  -1.093   1.019
   87   HG23  VAL  11          2HG2      VAL  11  12.141  -2.270   2.318
   88    H    CYS  12           H        CYS  12   8.100  -4.170   0.856
   89    HA   CYS  12           HA       CYS  12   6.163  -2.379  -0.337
   90    HB2  CYS  12           2HB      CYS  12   6.072  -5.366  -0.098
   91    HB3  CYS  12           1HB      CYS  12   4.776  -4.381  -0.753
   92    H    ARG  13           H        ARG  13   4.554  -1.676   0.566
   93    HA   ARG  13           HA       ARG  13   3.777  -2.639   3.232
   94    HB2  ARG  13           2HB      ARG  13   4.740  -0.426   3.416
   95    HB3  ARG  13           1HB      ARG  13   3.755   0.162   2.087
   96    HG2  ARG  13           2HG      ARG  13   2.928   0.961   4.204
   97    HG3  ARG  13           1HG      ARG  13   1.755  -0.102   3.421
   98    HD2  ARG  13           2HD      ARG  13   1.858  -0.591   5.791
   99    HD3  ARG  13           1HD      ARG  13   2.496  -1.949   4.872
  100    HE   ARG  13           HE       ARG  13   4.414  -0.009   5.799
  101   HH11  ARG  13          1HH1      ARG  13   2.929  -3.189   6.363
  102   HH12  ARG  13          2HH1      ARG  13   4.046  -3.627   7.574
  103   HH21  ARG  13          1HH2      ARG  13   5.970  -0.674   7.412
  104   HH22  ARG  13          2HH2      ARG  13   5.773  -2.182   8.200
  105    H    ABA  14           H        ABA  14   1.703  -3.299   3.396
  106    HA   ABA  14           HA       ABA  14  -0.061  -2.798   1.123
  107    HB3  ABA  14           1HB      ABA  14  -0.243  -4.897   3.304
  108    HB2  ABA  14           2HB      ABA  14   0.387  -5.182   1.691
  109    HG1  ABA  14           3HG      ABA  14  -1.804  -4.680   0.737
  110    HG3  ABA  14           1HG      ABA  14  -2.442  -4.397   2.358
  111    HG2  ABA  14           2HG      ABA  14  -1.886  -6.005   1.895
  112    H    VAL  15           H        VAL  15  -1.409  -1.179   1.450
  113    HA   VAL  15           HA       VAL  15  -2.416  -0.746   4.159
  114    HB   VAL  15           HB       VAL  15  -2.959   1.593   3.459
  115   HG11  VAL  15          1HG1      VAL  15  -0.679   2.465   3.594
  116   HG12  VAL  15          2HG1      VAL  15  -0.052   0.870   3.199
  117   HG13  VAL  15          3HG1      VAL  15  -0.920   1.121   4.716
  118   HG21  VAL  15          3HG2      VAL  15  -1.860   2.550   1.463
  119   HG22  VAL  15          1HG2      VAL  15  -3.044   1.310   1.038
  120   HG23  VAL  15          2HG2      VAL  15  -1.324   0.931   1.004
  121    H    CYS  16           H        CYS  16  -4.510  -1.061   4.484
  122    HA   CYS  16           HA       CYS  16  -6.084  -1.551   2.101
  123    HB2  CYS  16           2HB      CYS  16  -6.581  -2.530   4.923
  124    HB3  CYS  16           1HB      CYS  16  -7.552  -2.931   3.510
  125    H    ARG  17           H        ARG  17  -7.709  -0.309   1.578
  126    HA   ARG  17           HA       ARG  17  -8.772   1.536   3.572
  127    HB2  ARG  17           2HB      ARG  17  -7.777   2.348   0.835
  128    HB3  ARG  17           1HB      ARG  17  -8.588   3.393   1.986
  129    HG2  ARG  17           2HG      ARG  17  -6.688   3.169   3.518
  130    HG3  ARG  17           1HG      ARG  17  -5.894   2.101   2.361
  131    HD2  ARG  17           2HD      ARG  17  -5.914   3.896   0.706
  132    HD3  ARG  17           1HD      ARG  17  -6.686   4.958   1.877
  133    HE   ARG  17           HE       ARG  17  -4.374   4.009   3.044
  134   HH11  ARG  17          1HH1      ARG  17  -5.318   6.048   0.309
  135   HH12  ARG  17          2HH1      ARG  17  -3.881   6.950   0.265
  136   HH21  ARG  17          1HH2      ARG  17  -2.319   5.261   2.995
  137   HH22  ARG  17          2HH2      ARG  17  -2.165   6.494   1.847
  138    H    ARG  18           H        ARG  18 -10.874   1.535   3.435
  139    HA   ARG  18           HA       ARG  18 -13.017   1.243   2.793
  140    HB2  ARG  18           2HB      ARG  18 -12.298   3.145   1.299
  141    HB3  ARG  18           1HB      ARG  18 -12.003   1.973   0.029
  142    HG2  ARG  18           2HG      ARG  18 -14.368   1.391  -0.000
  143    HG3  ARG  18           1HG      ARG  18 -14.678   2.525   1.310
  144    HD2  ARG  18           2HD      ARG  18 -15.268   3.543  -0.790
  145    HD3  ARG  18           1HD      ARG  18 -13.861   4.357  -0.113
  146    HE   ARG  18           HE       ARG  18 -13.388   2.251  -2.069
  147   HH11  ARG  18          1HH1      ARG  18 -13.508   5.757  -1.428
  148   HH12  ARG  18          2HH1      ARG  18 -12.681   6.177  -2.842
  149   HH21  ARG  18          1HH2      ARG  18 -12.250   2.842  -3.990
  150   HH22  ARG  18          2HH2      ARG  18 -11.924   4.482  -4.332
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1 -11.437  -1.065   2.825
    2    HA2  GLY   1           2HA      GLY   1 -11.935  -3.371   2.788
    3    HA3  GLY   1           1HA      GLY   1 -13.176  -3.043   1.591
    4    H    VAL   2           H        VAL   2 -10.405  -1.464   0.592
    5    HA   VAL   2           HA       VAL   2  -9.651  -3.786  -1.026
    6    HB   VAL   2           HB       VAL   2  -9.616  -0.869  -1.887
    7   HG11  VAL   2          1HG1      VAL   2  -9.089  -1.762  -4.122
    8   HG12  VAL   2          2HG1      VAL   2  -8.992  -3.383  -3.437
    9   HG13  VAL   2          3HG1      VAL   2  -7.837  -2.144  -2.940
   10   HG21  VAL   2          3HG2      VAL   2 -11.411  -1.494  -3.450
   11   HG22  VAL   2          1HG2      VAL   2 -11.903  -1.697  -1.768
   12   HG23  VAL   2          2HG2      VAL   2 -11.463  -3.104  -2.736
   13    H    CYS   3           H        CYS   3  -7.591  -4.338  -0.889
   14    HA   CYS   3           HA       CYS   3  -5.889  -2.589   0.646
   15    HB2  CYS   3           2HB      CYS   3  -5.484  -5.443  -0.157
   16    HB3  CYS   3           1HB      CYS   3  -4.387  -4.509   0.849
   17    H    ARG   4           H        ARG   4  -4.311  -1.553  -0.010
   18    HA   ARG   4           HA       ARG   4  -3.502  -1.809  -2.832
   19    HB2  ARG   4           2HB      ARG   4  -4.610   0.327  -2.322
   20    HB3  ARG   4           1HB      ARG   4  -3.510   0.586  -0.980
   21    HG2  ARG   4           2HG      ARG   4  -2.877   1.967  -2.837
   22    HG3  ARG   4           1HG      ARG   4  -1.650   0.743  -2.531
   23    HD2  ARG   4           2HD      ARG   4  -2.573  -0.614  -4.367
   24    HD3  ARG   4           1HD      ARG   4  -3.764   0.652  -4.683
   25    HE   ARG   4           HE       ARG   4  -1.456   1.987  -4.840
   26   HH11  ARG   4          1HH1      ARG   4  -2.514  -1.018  -6.373
   27   HH12  ARG   4          2HH1      ARG   4  -1.496  -0.825  -7.725
   28   HH21  ARG   4          1HH2      ARG   4  -0.096   2.224  -6.662
   29   HH22  ARG   4          2HH2      ARG   4  -0.062   1.032  -7.890
   30    H    ABA   5           H        ABA   5  -1.477  -2.620  -3.042
   31    HA   ABA   5           HA       ABA   5   0.372  -2.213  -0.812
   32    HB3  ABA   5           1HB      ABA   5   0.432  -4.362  -2.942
   33    HB2  ABA   5           2HB      ABA   5  -0.162  -4.594  -1.299
   34    HG1  ABA   5           3HG      ABA   5   2.081  -5.481  -1.549
   35    HG3  ABA   5           1HG      ABA   5   2.068  -4.118  -0.430
   36    HG2  ABA   5           2HG      ABA   5   2.658  -3.900  -2.078
   37    H    VAL   6           H        VAL   6   1.652  -0.627  -1.168
   38    HA   VAL   6           HA       VAL   6   2.592  -0.111  -3.888
   39    HB   VAL   6           HB       VAL   6   1.401   1.801  -2.863
   40   HG11  VAL   6          1HG1      VAL   6   2.320   3.018  -0.940
   41   HG12  VAL   6          2HG1      VAL   6   3.507   1.738  -0.715
   42   HG13  VAL   6          3HG1      VAL   6   1.789   1.389  -0.517
   43   HG21  VAL   6          3HG2      VAL   6   4.365   2.305  -3.139
   44   HG22  VAL   6          1HG2      VAL   6   3.112   3.548  -3.172
   45   HG23  VAL   6          2HG2      VAL   6   3.172   2.321  -4.438
   46    H    CYS   7           H        CYS   7   4.821  -0.091  -4.255
   47    HA   CYS   7           HA       CYS   7   6.316  -1.045  -1.955
   48    HB2  CYS   7           2HB      CYS   7   6.820  -1.703  -4.862
   49    HB3  CYS   7           1HB      CYS   7   7.702  -2.348  -3.478
   50    H    ARG   8           H        ARG   8   8.111  -0.054  -1.359
   51    HA   ARG   8           HA       ARG   8   9.240   2.043  -3.086
   52    HB2  ARG   8           2HB      ARG   8   8.609   2.340  -0.140
   53    HB3  ARG   8           1HB      ARG   8   9.381   3.535  -1.158
   54    HG2  ARG   8           2HG      ARG   8   7.365   3.865  -2.409
   55    HG3  ARG   8           1HG      ARG   8   6.576   2.536  -1.555
   56    HD2  ARG   8           2HD      ARG   8   7.557   5.110  -0.322
   57    HD3  ARG   8           1HD      ARG   8   5.878   4.692  -0.664
   58    HE   ARG   8           HE       ARG   8   7.091   2.730   0.987
   59   HH11  ARG   8          1HH1      ARG   8   5.743   6.014   1.157
   60   HH12  ARG   8          2HH1      ARG   8   5.332   5.888   2.805
   61   HH21  ARG   8          1HH2      ARG   8   6.498   2.590   3.248
   62   HH22  ARG   8          2HH2      ARG   8   5.765   3.939   4.003
   63    H    ARG   9           H        ARG   9  11.373   1.760  -3.197
   64    HA   ARG   9           HA       ARG   9  13.503   1.100  -2.795
   65    HB2  ARG   9           2HB      ARG   9  13.202   2.683  -0.873
   66    HB3  ARG   9           1HB      ARG   9  12.690   1.335   0.125
   67    HG2  ARG   9           2HG      ARG   9  14.933   0.326  -0.191
   68    HG3  ARG   9           1HG      ARG   9  15.419   1.778  -1.071
   69    HD2  ARG   9           2HD      ARG   9  15.009   3.133   0.884
   70    HD3  ARG   9           1HD      ARG   9  14.401   1.728   1.760
   71    HE   ARG   9           HE       ARG   9  17.009   1.255   0.806
   72   HH11  ARG   9          1HH1      ARG   9  15.274   3.012   3.344
   73   HH12  ARG   9          2HH1      ARG   9  16.598   3.040   4.418
   74   HH21  ARG   9          1HH2      ARG   9  18.819   1.266   2.307
   75   HH22  ARG   9          2HH2      ARG   9  18.644   2.014   3.825
   76    H    GLY  10           H        GLY  10  11.610  -0.925  -3.267
   77    HA2  GLY  10           2HA      GLY  10  11.630  -3.230  -3.398
   78    HA3  GLY  10           1HA      GLY  10  13.110  -3.216  -2.452
   79    H    VAL  11           H        VAL  11  10.552  -1.523  -0.991
   80    HA   VAL  11           HA       VAL  11   9.947  -3.811   0.749
   81    HB   VAL  11           HB       VAL  11   9.966  -0.863   1.470
   82   HG11  VAL  11          1HG1      VAL  11   9.614  -3.296   3.207
   83   HG12  VAL  11          2HG1      VAL  11   8.362  -2.137   2.775
   84   HG13  VAL  11          3HG1      VAL  11   9.716  -1.636   3.788
   85   HG21  VAL  11          3HG2      VAL  11  11.953  -1.337   2.823
   86   HG22  VAL  11          1HG2      VAL  11  12.244  -1.650   1.110
   87   HG23  VAL  11          2HG2      VAL  11  11.965  -2.995   2.217
   88    H    CYS  12           H        CYS  12   7.895  -4.419   0.462
   89    HA   CYS  12           HA       CYS  12   6.111  -2.473  -0.672
   90    HB2  CYS  12           2HB      CYS  12   5.738  -5.422  -0.292
   91    HB3  CYS  12           1HB      CYS  12   4.572  -4.358  -1.063
   92    H    ARG  13           H        ARG  13   4.556  -1.569   0.233
   93    HA   ARG  13           HA       ARG  13   3.875  -2.244   3.022
   94    HB2  ARG  13           2HB      ARG  13   5.044  -0.068   2.764
   95    HB3  ARG  13           1HB      ARG  13   3.818   0.453   1.631
   96    HG2  ARG  13           2HG      ARG  13   3.502   1.470   3.794
   97    HG3  ARG  13           1HG      ARG  13   2.143   0.429   3.372
   98    HD2  ARG  13           2HD      ARG  13   2.984  -1.316   4.807
   99    HD3  ARG  13           1HD      ARG  13   4.429  -0.373   5.184
  100    HE   ARG  13           HE       ARG  13   2.684   1.282   6.064
  101   HH11  ARG  13          1HH1      ARG  13   2.368  -2.269   6.328
  102   HH12  ARG  13          2HH1      ARG  13   1.530  -2.217   7.796
  103   HH21  ARG  13          1HH2      ARG  13   1.532   1.300   8.170
  104   HH22  ARG  13          2HH2      ARG  13   1.054  -0.181   8.844
  105    H    ABA  14           H        ABA  14   1.828  -2.959   3.268
  106    HA   ABA  14           HA       ABA  14  -0.079  -2.434   1.121
  107    HB3  ABA  14           1HB      ABA  14  -0.079  -4.633   3.198
  108    HB2  ABA  14           2HB      ABA  14   0.466  -4.813   1.536
  109    HG1  ABA  14           3HG      ABA  14  -1.760  -5.718   1.819
  110    HG3  ABA  14           1HG      ABA  14  -1.792  -4.326   0.738
  111    HG2  ABA  14           2HG      ABA  14  -2.340  -4.158   2.407
  112    H    VAL  15           H        VAL  15  -1.565  -1.035   1.503
  113    HA   VAL  15           HA       VAL  15  -2.462  -0.578   4.261
  114    HB   VAL  15           HB       VAL  15  -2.372   1.440   1.985
  115   HG11  VAL  15          1HG1      VAL  15  -2.956   3.087   3.695
  116   HG12  VAL  15          2HG1      VAL  15  -3.097   1.788   4.885
  117   HG13  VAL  15          3HG1      VAL  15  -4.203   1.849   3.514
  118   HG21  VAL  15          3HG2      VAL  15  -0.625   1.270   4.444
  119   HG22  VAL  15          1HG2      VAL  15  -0.602   2.572   3.258
  120   HG23  VAL  15          2HG2      VAL  15  -0.114   0.945   2.787
  121    H    CYS  16           H        CYS  16  -4.559  -1.035   4.519
  122    HA   CYS  16           HA       CYS  16  -6.143  -1.432   2.111
  123    HB2  CYS  16           2HB      CYS  16  -6.695  -2.463   4.900
  124    HB3  CYS  16           1HB      CYS  16  -7.585  -2.882   3.436
  125    H    ARG  17           H        ARG  17  -7.945  -0.379   1.647
  126    HA   ARG  17           HA       ARG  17  -9.073   1.371   3.627
  127    HB2  ARG  17           2HB      ARG  17  -8.895   3.346   2.112
  128    HB3  ARG  17           1HB      ARG  17  -7.355   2.804   2.744
  129    HG2  ARG  17           2HG      ARG  17  -6.857   1.685   0.632
  130    HG3  ARG  17           1HG      ARG  17  -8.415   2.196  -0.009
  131    HD2  ARG  17           2HD      ARG  17  -6.588   3.632  -0.784
  132    HD3  ARG  17           1HD      ARG  17  -7.763   4.522   0.171
  133    HE   ARG  17           HE       ARG  17  -6.137   4.203   2.061
  134   HH11  ARG  17          1HH1      ARG  17  -4.916   4.207  -1.277
  135   HH12  ARG  17          2HH1      ARG  17  -3.507   5.086  -0.883
  136   HH21  ARG  17          1HH2      ARG  17  -4.176   5.359   2.571
  137   HH22  ARG  17          2HH2      ARG  17  -3.073   5.747   1.338
  138    H    ARG  18           H        ARG  18 -11.166   1.352   3.440
  139    HA   ARG  18           HA       ARG  18 -13.268   1.130   2.722
  140    HB2  ARG  18           2HB      ARG  18 -12.505   2.880   1.065
  141    HB3  ARG  18           1HB      ARG  18 -12.183   1.591  -0.070
  142    HG2  ARG  18           2HG      ARG  18 -14.574   0.998  -0.046
  143    HG3  ARG  18           1HG      ARG  18 -14.873   2.353   1.049
  144    HD2  ARG  18           2HD      ARG  18 -14.009   3.899  -0.614
  145    HD3  ARG  18           1HD      ARG  18 -13.671   2.553  -1.699
  146    HE   ARG  18           HE       ARG  18 -16.404   2.771  -0.837
  147   HH11  ARG  18          1HH1      ARG  18 -14.031   3.583  -3.312
  148   HH12  ARG  18          2HH1      ARG  18 -15.166   3.997  -4.506
  149   HH21  ARG  18          1HH2      ARG  18 -18.000   3.379  -2.484
  150   HH22  ARG  18          2HH2      ARG  18 -17.472   3.908  -4.009
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1 -11.234  -0.606   2.948
    2    HA2  GLY   1           2HA      GLY   1 -11.838  -2.851   2.721
    3    HA3  GLY   1           1HA      GLY   1 -13.080  -2.368   1.581
    4    H    VAL   2           H        VAL   2 -10.175  -0.969   0.674
    5    HA   VAL   2           HA       VAL   2  -9.703  -3.161  -1.211
    6    HB   VAL   2           HB       VAL   2  -9.166  -0.211  -1.639
    7   HG11  VAL   2          1HG1      VAL   2  -8.989  -2.536  -3.553
    8   HG12  VAL   2          2HG1      VAL   2  -7.636  -1.625  -2.882
    9   HG13  VAL   2          3HG1      VAL   2  -8.768  -0.841  -3.985
   10   HG21  VAL   2          3HG2      VAL   2 -11.034  -0.235  -3.234
   11   HG22  VAL   2          1HG2      VAL   2 -11.578  -0.638  -1.608
   12   HG23  VAL   2          2HG2      VAL   2 -11.372  -1.912  -2.814
   13    H    CYS   3           H        CYS   3  -7.833  -4.135  -0.860
   14    HA   CYS   3           HA       CYS   3  -5.819  -2.691   0.607
   15    HB2  CYS   3           2HB      CYS   3  -6.002  -5.592  -0.098
   16    HB3  CYS   3           1HB      CYS   3  -4.669  -4.876   0.788
   17    H    ARG   4           H        ARG   4  -4.144  -1.950  -0.178
   18    HA   ARG   4           HA       ARG   4  -3.415  -2.714  -2.914
   19    HB2  ARG   4           2HB      ARG   4  -4.448  -0.498  -2.948
   20    HB3  ARG   4           1HB      ARG   4  -3.353   0.046  -1.686
   21    HG2  ARG   4           2HG      ARG   4  -2.662   0.892  -3.829
   22    HG3  ARG   4           1HG      ARG   4  -1.462  -0.228  -3.181
   23    HD2  ARG   4           2HD      ARG   4  -2.452  -2.013  -4.607
   24    HD3  ARG   4           1HD      ARG   4  -3.518  -0.795  -5.313
   25    HE   ARG   4           HE       ARG   4  -0.820  -0.011  -5.492
   26   HH11  ARG   4          1HH1      ARG   4  -3.247  -2.083  -7.003
   27   HH12  ARG   4          2HH1      ARG   4  -2.379  -2.287  -8.450
   28   HH21  ARG   4          1HH2      ARG   4   0.390  -0.316  -7.553
   29   HH22  ARG   4          2HH2      ARG   4  -0.318  -1.281  -8.753
   30    H    ABA   5           H        ABA   5  -1.443  -3.539  -3.001
   31    HA   ABA   5           HA       ABA   5   0.384  -2.940  -0.834
   32    HB3  ABA   5           1HB      ABA   5   0.697  -4.929  -3.089
   33    HB2  ABA   5           2HB      ABA   5   0.045  -5.325  -1.501
   34    HG1  ABA   5           3HG      ABA   5   2.180  -4.667  -0.485
   35    HG3  ABA   5           1HG      ABA   5   2.824  -4.344  -2.092
   36    HG2  ABA   5           2HG      ABA   5   2.362  -5.988  -1.636
   37    H    VAL   6           H        VAL   6   1.448  -1.228  -1.065
   38    HA   VAL   6           HA       VAL   6   2.251  -0.289  -3.716
   39    HB   VAL   6           HB       VAL   6   2.432   1.148  -1.052
   40   HG11  VAL   6          1HG1      VAL   6   3.963   2.001  -2.720
   41   HG12  VAL   6          2HG1      VAL   6   2.672   3.166  -2.421
   42   HG13  VAL   6          3HG1      VAL   6   2.643   2.171  -3.877
   43   HG21  VAL   6          3HG2      VAL   6   0.445   2.427  -1.748
   44   HG22  VAL   6          1HG2      VAL   6   0.089   0.708  -1.553
   45   HG23  VAL   6          2HG2      VAL   6   0.289   1.387  -3.166
   46    H    CYS   7           H        CYS   7   4.277  -0.815  -4.280
   47    HA   CYS   7           HA       CYS   7   6.086  -1.419  -2.105
   48    HB2  CYS   7           2HB      CYS   7   6.411  -2.028  -5.043
   49    HB3  CYS   7           1HB      CYS   7   7.489  -2.564  -3.761
   50    H    ARG   8           H        ARG   8   7.635  -0.164  -1.530
   51    HA   ARG   8           HA       ARG   8   8.696   1.790  -3.358
   52    HB2  ARG   8           2HB      ARG   8   8.279   3.659  -1.774
   53    HB3  ARG   8           1HB      ARG   8   6.826   3.020  -2.524
   54    HG2  ARG   8           2HG      ARG   8   6.269   1.806  -0.502
   55    HG3  ARG   8           1HG      ARG   8   7.766   2.347   0.256
   56    HD2  ARG   8           2HD      ARG   8   5.802   3.638   0.974
   57    HD3  ARG   8           1HD      ARG   8   7.026   4.635   0.195
   58    HE   ARG   8           HE       ARG   8   5.517   4.256  -1.869
   59   HH11  ARG   8          1HH1      ARG   8   4.254   4.581   1.427
   60   HH12  ARG   8          2HH1      ARG   8   2.882   5.469   0.945
   61   HH21  ARG   8          1HH2      ARG   8   3.661   5.442  -2.515
   62   HH22  ARG   8          2HH2      ARG   8   2.521   5.972  -1.364
   63    H    ARG   9           H        ARG   9  10.716   2.244  -2.932
   64    HA   ARG   9           HA       ARG   9  12.758   2.314  -2.003
   65    HB2  ARG   9           2HB      ARG   9  11.415   3.447  -0.147
   66    HB3  ARG   9           1HB      ARG   9  11.387   1.888   0.649
   67    HG2  ARG   9           2HG      ARG   9  13.840   1.960   0.819
   68    HG3  ARG   9           1HG      ARG   9  13.818   3.569   0.083
   69    HD2  ARG   9           2HD      ARG   9  12.270   4.297   1.893
   70    HD3  ARG   9           1HD      ARG   9  12.501   2.729   2.650
   71    HE   ARG   9           HE       ARG   9  14.766   4.476   2.102
   72   HH11  ARG   9          1HH1      ARG   9  12.836   2.628   4.402
   73   HH12  ARG   9          2HH1      ARG   9  13.732   3.078   5.778
   74   HH21  ARG   9          1HH2      ARG   9  15.998   5.147   3.981
   75   HH22  ARG   9          2HH2      ARG   9  15.589   4.547   5.522
   76    H    GLY  10           H        GLY  10  11.442  -0.086  -2.812
   77    HA2  GLY  10           2HA      GLY  10  12.088  -2.283  -3.090
   78    HA3  GLY  10           1HA      GLY  10  13.383  -2.005  -1.937
   79    H    VAL  11           H        VAL  11  10.250  -1.119  -0.814
   80    HA   VAL  11           HA       VAL  11   9.970  -3.683   0.574
   81    HB   VAL  11           HB       VAL  11   9.621  -0.910   1.787
   82   HG11  VAL  11          1HG1      VAL  11   7.943  -2.452   2.655
   83   HG12  VAL  11          2HG1      VAL  11   9.136  -2.062   3.898
   84   HG13  VAL  11          3HG1      VAL  11   9.210  -3.611   3.057
   85   HG21  VAL  11          3HG2      VAL  11  11.958  -1.519   1.632
   86   HG22  VAL  11          1HG2      VAL  11  11.628  -3.074   2.398
   87   HG23  VAL  11          2HG2      VAL  11  11.431  -1.582   3.318
   88    H    CYS  12           H        CYS  12   7.972  -4.478   0.389
   89    HA   CYS  12           HA       CYS  12   5.964  -2.783  -0.806
   90    HB2  CYS  12           2HB      CYS  12   5.983  -5.733  -0.329
   91    HB3  CYS  12           1HB      CYS  12   4.675  -4.866  -1.105
   92    H    ARG  13           H        ARG  13   4.434  -1.959   0.137
   93    HA   ARG  13           HA       ARG  13   3.887  -2.706   2.954
   94    HB2  ARG  13           2HB      ARG  13   4.885  -0.380   2.349
   95    HB3  ARG  13           1HB      ARG  13   3.296  -0.054   1.677
   96    HG2  ARG  13           2HG      ARG  13   3.332   0.923   3.794
   97    HG3  ARG  13           1HG      ARG  13   2.329  -0.526   3.886
   98    HD2  ARG  13           2HD      ARG  13   5.236  -0.449   4.719
   99    HD3  ARG  13           1HD      ARG  13   3.927  -0.137   5.844
  100    HE   ARG  13           HE       ARG  13   3.229  -2.515   4.929
  101   HH11  ARG  13          1HH1      ARG  13   6.476  -1.426   5.942
  102   HH12  ARG  13          2HH1      ARG  13   6.915  -2.928   6.594
  103   HH21  ARG  13          1HH2      ARG  13   3.893  -4.575   5.781
  104   HH22  ARG  13          2HH2      ARG  13   5.429  -4.739   6.512
  105    H    ABA  14           H        ABA  14   1.903  -3.655   3.156
  106    HA   ABA  14           HA       ABA  14  -0.072  -3.318   1.051
  107    HB3  ABA  14           1HB      ABA  14  -0.107  -5.128   3.480
  108    HB2  ABA  14           2HB      ABA  14   0.457  -5.605   1.883
  109    HG1  ABA  14           3HG      ABA  14  -2.354  -4.778   2.578
  110    HG3  ABA  14           1HG      ABA  14  -1.792  -6.426   2.307
  111    HG2  ABA  14           2HG      ABA  14  -1.786  -5.259   0.983
  112    H    VAL  15           H        VAL  15  -1.049  -1.432   1.279
  113    HA   VAL  15           HA       VAL  15  -2.055  -0.754   3.920
  114    HB   VAL  15           HB       VAL  15  -2.370   1.560   3.063
  115   HG11  VAL  15          1HG1      VAL  15  -0.335   1.010   4.237
  116   HG12  VAL  15          2HG1      VAL  15   0.001   2.181   2.962
  117   HG13  VAL  15          3HG1      VAL  15   0.423   0.486   2.735
  118   HG21  VAL  15          3HG2      VAL  15  -1.335   2.247   0.924
  119   HG22  VAL  15          1HG2      VAL  15  -2.650   1.098   0.671
  120   HG23  VAL  15          2HG2      VAL  15  -0.977   0.557   0.567
  121    H    CYS  16           H        CYS  16  -4.100  -1.092   4.327
  122    HA   CYS  16           HA       CYS  16  -5.850  -1.461   2.050
  123    HB2  CYS  16           2HB      CYS  16  -6.252  -2.322   4.924
  124    HB3  CYS  16           1HB      CYS  16  -7.360  -2.640   3.597
  125    H    ARG  17           H        ARG  17  -7.586  -0.238   1.698
  126    HA   ARG  17           HA       ARG  17  -8.519   1.541   3.745
  127    HB2  ARG  17           2HB      ARG  17  -8.216   3.586   2.348
  128    HB3  ARG  17           1HB      ARG  17  -6.715   2.900   2.931
  129    HG2  ARG  17           2HG      ARG  17  -6.422   1.826   0.686
  130    HG3  ARG  17           1HG      ARG  17  -7.836   2.727   0.140
  131    HD2  ARG  17           2HD      ARG  17  -5.782   3.907  -0.453
  132    HD3  ARG  17           1HD      ARG  17  -6.717   4.826   0.726
  133    HE   ARG  17           HE       ARG  17  -4.818   3.130   1.976
  134   HH11  ARG  17          1HH1      ARG  17  -5.175   6.300   0.427
  135   HH12  ARG  17          2HH1      ARG  17  -3.813   6.965   1.190
  136   HH21  ARG  17          1HH2      ARG  17  -2.966   4.050   3.027
  137   HH22  ARG  17          2HH2      ARG  17  -2.511   5.652   2.685
  138    H    ARG  18           H        ARG  18 -10.610   1.828   3.560
  139    HA   ARG  18           HA       ARG  18 -12.739   1.789   2.814
  140    HB2  ARG  18           2HB      ARG  18 -11.888   3.592   1.352
  141    HB3  ARG  18           1HB      ARG  18 -11.393   2.405   0.169
  142    HG2  ARG  18           2HG      ARG  18 -13.729   1.873  -0.277
  143    HG3  ARG  18           1HG      ARG  18 -14.238   3.032   0.948
  144    HD2  ARG  18           2HD      ARG  18 -14.357   3.961  -1.342
  145    HD3  ARG  18           1HD      ARG  18 -13.246   4.850  -0.304
  146    HE   ARG  18           HE       ARG  18 -11.827   2.879  -1.687
  147   HH11  ARG  18          1HH1      ARG  18 -13.454   5.953  -2.312
  148   HH12  ARG  18          2HH1      ARG  18 -12.462   6.403  -3.609
  149   HH21  ARG  18          1HH2      ARG  18 -10.435   3.469  -3.427
  150   HH22  ARG  18          2HH2      ARG  18 -10.671   4.930  -4.287
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1 -10.671  -0.639   2.956
    2    HA2  GLY   1           2HA      GLY   1 -11.127  -2.900   3.321
    3    HA3  GLY   1           1HA      GLY   1 -12.517  -2.764   2.259
    4    H    VAL   2           H        VAL   2  -9.967  -1.391   0.642
    5    HA   VAL   2           HA       VAL   2  -9.392  -3.921  -0.733
    6    HB   VAL   2           HB       VAL   2  -9.190  -1.083  -1.806
    7   HG11  VAL   2          1HG1      VAL   2  -8.860  -2.141  -3.998
    8   HG12  VAL   2          2HG1      VAL   2  -8.877  -3.726  -3.227
    9   HG13  VAL   2          3HG1      VAL   2  -7.587  -2.582  -2.857
   10   HG21  VAL   2          3HG2      VAL   2 -11.253  -3.202  -2.411
   11   HG22  VAL   2          1HG2      VAL   2 -11.134  -1.633  -3.206
   12   HG23  VAL   2          2HG2      VAL   2 -11.526  -1.727  -1.487
   13    H    CYS   3           H        CYS   3  -7.363  -4.632  -0.417
   14    HA   CYS   3           HA       CYS   3  -5.537  -2.758   0.761
   15    HB2  CYS   3           2HB      CYS   3  -5.250  -5.691   0.396
   16    HB3  CYS   3           1HB      CYS   3  -4.166  -4.665   1.319
   17    H    ARG   4           H        ARG   4  -4.300  -1.717  -0.159
   18    HA   ARG   4           HA       ARG   4  -3.569  -2.219  -2.938
   19    HB2  ARG   4           2HB      ARG   4  -4.696  -0.086  -2.367
   20    HB3  ARG   4           1HB      ARG   4  -3.383   0.286  -1.261
   21    HG2  ARG   4           2HG      ARG   4  -3.144   1.515  -3.311
   22    HG3  ARG   4           1HG      ARG   4  -1.824   0.355  -3.113
   23    HD2  ARG   4           2HD      ARG   4  -2.940  -1.185  -4.639
   24    HD3  ARG   4           1HD      ARG   4  -4.287  -0.062  -4.804
   25    HE   ARG   4           HE       ARG   4  -2.040   1.328  -5.508
   26   HH11  ARG   4          1HH1      ARG   4  -3.670  -1.619  -6.615
   27   HH12  ARG   4          2HH1      ARG   4  -3.266  -1.421  -8.244
   28   HH21  ARG   4          1HH2      ARG   4  -1.439   1.589  -7.824
   29   HH22  ARG   4          2HH2      ARG   4  -1.963   0.420  -8.945
   30    H    ABA   5           H        ABA   5  -1.549  -2.967  -3.290
   31    HA   ABA   5           HA       ABA   5   0.393  -2.698  -1.181
   32    HB3  ABA   5           1HB      ABA   5   0.251  -4.915  -2.138
   33    HB2  ABA   5           2HB      ABA   5   1.815  -4.234  -2.549
   34    HG1  ABA   5           3HG      ABA   5  -0.545  -4.470  -4.404
   35    HG3  ABA   5           1HG      ABA   5   0.912  -5.460  -4.421
   36    HG2  ABA   5           2HG      ABA   5   1.007  -3.744  -4.811
   37    H    VAL   6           H        VAL   6   1.361  -0.883  -1.065
   38    HA   VAL   6           HA       VAL   6   2.300   0.419  -3.527
   39    HB   VAL   6           HB       VAL   6   2.127   1.574  -0.715
   40   HG11  VAL   6          1HG1      VAL   6   2.561   3.734  -1.799
   41   HG12  VAL   6          2HG1      VAL   6   2.749   2.912  -3.349
   42   HG13  VAL   6          3HG1      VAL   6   3.889   2.601  -2.043
   43   HG21  VAL   6          3HG2      VAL   6  -0.106   1.192  -1.638
   44   HG22  VAL   6          1HG2      VAL   6   0.335   2.075  -3.098
   45   HG23  VAL   6          2HG2      VAL   6   0.248   2.916  -1.548
   46    H    CYS   7           H        CYS   7   4.334  -0.052  -3.972
   47    HA   CYS   7           HA       CYS   7   6.023  -0.937  -1.782
   48    HB2  CYS   7           2HB      CYS   7   6.494  -1.235  -4.747
   49    HB3  CYS   7           1HB      CYS   7   7.432  -1.982  -3.459
   50    H    ARG   8           H        ARG   8   7.830   0.011  -1.185
   51    HA   ARG   8           HA       ARG   8   8.807   2.293  -2.716
   52    HB2  ARG   8           2HB      ARG   8   8.095   2.337   0.224
   53    HB3  ARG   8           1HB      ARG   8   9.067   3.558  -0.569
   54    HG2  ARG   8           2HG      ARG   8   6.210   2.910  -1.242
   55    HG3  ARG   8           1HG      ARG   8   6.736   4.247  -0.216
   56    HD2  ARG   8           2HD      ARG   8   8.018   5.138  -2.148
   57    HD3  ARG   8           1HD      ARG   8   7.361   3.834  -3.139
   58    HE   ARG   8           HE       ARG   8   5.330   5.276  -1.822
   59   HH11  ARG   8          1HH1      ARG   8   7.487   5.431  -4.628
   60   HH12  ARG   8          2HH1      ARG   8   6.508   6.506  -5.516
   61   HH21  ARG   8          1HH2      ARG   8   3.952   6.718  -3.073
   62   HH22  ARG   8          2HH2      ARG   8   4.436   7.236  -4.624
   63    H    ARG   9           H        ARG   9  10.854   1.937  -3.025
   64    HA   ARG   9           HA       ARG   9  12.999   1.334  -2.806
   65    HB2  ARG   9           2HB      ARG   9  12.766   2.951  -0.900
   66    HB3  ARG   9           1HB      ARG   9  12.500   1.588   0.169
   67    HG2  ARG   9           2HG      ARG   9  14.753   0.826  -0.163
   68    HG3  ARG   9           1HG      ARG   9  15.023   2.027  -1.427
   69    HD2  ARG   9           2HD      ARG   9  14.426   2.608   1.465
   70    HD3  ARG   9           1HD      ARG   9  16.004   2.751   0.687
   71    HE   ARG   9           HE       ARG   9  14.443   4.303  -0.835
   72   HH11  ARG   9          1HH1      ARG   9  15.127   4.214   2.620
   73   HH12  ARG   9          2HH1      ARG   9  14.772   5.850   2.903
   74   HH21  ARG   9          1HH2      ARG   9  13.929   6.625  -0.444
   75   HH22  ARG   9          2HH2      ARG   9  14.044   7.219   1.143
   76    H    GLY  10           H        GLY  10  11.117  -0.727  -3.058
   77    HA2  GLY  10           2HA      GLY  10  11.466  -2.999  -3.345
   78    HA3  GLY  10           1HA      GLY  10  12.824  -2.911  -2.235
   79    H    VAL  11           H        VAL  11  10.341  -1.381  -0.682
   80    HA   VAL  11           HA       VAL  11   9.636  -3.888   0.670
   81    HB   VAL  11           HB       VAL  11   9.555  -1.065   1.775
   82   HG11  VAL  11          1HG1      VAL  11   9.154  -3.713   3.169
   83   HG12  VAL  11          2HG1      VAL  11   7.909  -2.505   2.833
   84   HG13  VAL  11          3HG1      VAL  11   9.211  -2.139   3.962
   85   HG21  VAL  11          3HG2      VAL  11  11.866  -1.750   1.450
   86   HG22  VAL  11          1HG2      VAL  11  11.561  -3.258   2.315
   87   HG23  VAL  11          2HG2      VAL  11  11.483  -1.719   3.171
   88    H    CYS  12           H        CYS  12   7.536  -4.449   0.528
   89    HA   CYS  12           HA       CYS  12   5.829  -2.443  -0.662
   90    HB2  CYS  12           2HB      CYS  12   5.473  -5.415  -0.581
   91    HB3  CYS  12           1HB      CYS  12   4.334  -4.290  -1.303
   92    H    ARG  13           H        ARG  13   4.166  -1.650   0.216
   93    HA   ARG  13           HA       ARG  13   3.499  -2.629   2.901
   94    HB2  ARG  13           2HB      ARG  13   4.430  -0.323   2.820
   95    HB3  ARG  13           1HB      ARG  13   3.101   0.156   1.783
   96    HG2  ARG  13           2HG      ARG  13   2.732   0.862   4.064
   97    HG3  ARG  13           1HG      ARG  13   1.513  -0.308   3.548
   98    HD2  ARG  13           2HD      ARG  13   2.342  -0.741   5.844
   99    HD3  ARG  13           1HD      ARG  13   2.638  -2.086   4.751
  100    HE   ARG  13           HE       ARG  13   4.768  -0.158   5.046
  101   HH11  ARG  13          1HH1      ARG  13   3.454  -3.280   6.109
  102   HH12  ARG  13          2HH1      ARG  13   4.920  -3.866   6.720
  103   HH21  ARG  13          1HH2      ARG  13   6.817  -0.965   5.890
  104   HH22  ARG  13          2HH2      ARG  13   6.901  -2.510   6.581
  105    H    ABA  14           H        ABA  14   1.628  -3.546   3.079
  106    HA   ABA  14           HA       ABA  14  -0.353  -3.297   0.989
  107    HB3  ABA  14           1HB      ABA  14  -0.260  -5.054   3.459
  108    HB2  ABA  14           2HB      ABA  14   0.302  -5.532   1.867
  109    HG1  ABA  14           3HG      ABA  14  -1.867  -6.481   2.327
  110    HG3  ABA  14           1HG      ABA  14  -1.974  -5.323   1.000
  111    HG2  ABA  14           2HG      ABA  14  -2.531  -4.874   2.619
  112    H    VAL  15           H        VAL  15  -1.122  -1.246   1.342
  113    HA   VAL  15           HA       VAL  15  -2.236  -0.667   3.964
  114    HB   VAL  15           HB       VAL  15  -0.819   1.125   3.062
  115   HG11  VAL  15          1HG1      VAL  15  -1.420   2.410   1.072
  116   HG12  VAL  15          2HG1      VAL  15  -2.732   1.276   0.745
  117   HG13  VAL  15          3HG1      VAL  15  -1.057   0.726   0.683
  118   HG21  VAL  15          3HG2      VAL  15  -3.736   1.896   3.066
  119   HG22  VAL  15          1HG2      VAL  15  -2.384   3.016   3.219
  120   HG23  VAL  15          2HG2      VAL  15  -2.673   1.808   4.471
  121    H    CYS  16           H        CYS  16  -4.303  -0.840   4.349
  122    HA   CYS  16           HA       CYS  16  -5.966  -1.442   2.050
  123    HB2  CYS  16           2HB      CYS  16  -6.565  -1.913   4.971
  124    HB3  CYS  16           1HB      CYS  16  -7.467  -2.548   3.590
  125    H    ARG  17           H        ARG  17  -7.375  -0.275   1.264
  126    HA   ARG  17           HA       ARG  17  -8.163   2.168   2.662
  127    HB2  ARG  17           2HB      ARG  17  -7.435   1.824  -0.258
  128    HB3  ARG  17           1HB      ARG  17  -8.026   3.297   0.484
  129    HG2  ARG  17           2HG      ARG  17  -5.403   1.956   1.130
  130    HG3  ARG  17           1HG      ARG  17  -5.604   3.350   0.072
  131    HD2  ARG  17           2HD      ARG  17  -6.282   3.229   3.010
  132    HD3  ARG  17           1HD      ARG  17  -4.889   4.042   2.296
  133    HE   ARG  17           HE       ARG  17  -6.901   5.198   1.003
  134   HH11  ARG  17          1HH1      ARG  17  -6.358   4.697   4.460
  135   HH12  ARG  17          2HH1      ARG  17  -7.316   6.015   4.927
  136   HH21  ARG  17          1HH2      ARG  17  -8.200   6.990   1.659
  137   HH22  ARG  17          2HH2      ARG  17  -8.385   7.348   3.321
  138    H    ARG  18           H        ARG  18 -10.261   1.904   2.977
  139    HA   ARG  18           HA       ARG  18 -12.450   1.532   2.678
  140    HB2  ARG  18           2HB      ARG  18 -12.037   3.048   0.704
  141    HB3  ARG  18           1HB      ARG  18 -11.810   1.626  -0.291
  142    HG2  ARG  18           2HG      ARG  18 -14.015   2.589  -0.620
  143    HG3  ARG  18           1HG      ARG  18 -14.122   0.978   0.094
  144    HD2  ARG  18           2HD      ARG  18 -14.518   1.928   2.276
  145    HD3  ARG  18           1HD      ARG  18 -14.278   3.559   1.650
  146    HE   ARG  18           HE       ARG  18 -16.335   2.058   0.342
  147   HH11  ARG  18          1HH1      ARG  18 -15.650   4.128   3.127
  148   HH12  ARG  18          2HH1      ARG  18 -17.220   4.780   3.212
  149   HH21  ARG  18          1HH2      ARG  18 -18.540   2.941   0.512
  150   HH22  ARG  18          2HH2      ARG  18 -18.855   4.119   1.710
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1 -11.035  -0.785   3.165
    2    HA2  GLY   1           2HA      GLY   1 -11.329  -3.079   3.153
    3    HA3  GLY   1           1HA      GLY   1 -12.801  -2.856   2.221
    4    H    VAL   2           H        VAL   2 -10.128  -1.246   0.896
    5    HA   VAL   2           HA       VAL   2  -9.717  -3.447  -1.001
    6    HB   VAL   2           HB       VAL   2  -9.461  -0.469  -1.527
    7   HG11  VAL   2          1HG1      VAL   2  -9.273  -2.812  -3.422
    8   HG12  VAL   2          2HG1      VAL   2  -7.936  -1.793  -2.888
    9   HG13  VAL   2          3HG1      VAL   2  -9.221  -1.110  -3.883
   10   HG21  VAL   2          3HG2      VAL   2 -11.797  -1.079  -1.254
   11   HG22  VAL   2          1HG2      VAL   2 -11.605  -2.405  -2.400
   12   HG23  VAL   2          2HG2      VAL   2 -11.452  -0.739  -2.949
   13    H    CYS   3           H        CYS   3  -7.804  -4.323  -0.625
   14    HA   CYS   3           HA       CYS   3  -5.775  -2.726   0.612
   15    HB2  CYS   3           2HB      CYS   3  -5.821  -5.635  -0.080
   16    HB3  CYS   3           1HB      CYS   3  -4.460  -4.838   0.699
   17    H    ARG   4           H        ARG   4  -4.082  -1.960  -0.224
   18    HA   ARG   4           HA       ARG   4  -3.443  -2.555  -3.024
   19    HB2  ARG   4           2HB      ARG   4  -4.613  -0.413  -2.882
   20    HB3  ARG   4           1HB      ARG   4  -3.496   0.139  -1.652
   21    HG2  ARG   4           2HG      ARG   4  -3.034   1.133  -3.806
   22    HG3  ARG   4           1HG      ARG   4  -1.688   0.144  -3.247
   23    HD2  ARG   4           2HD      ARG   4  -2.340  -1.656  -4.719
   24    HD3  ARG   4           1HD      ARG   4  -3.787  -0.780  -5.213
   25    HE   ARG   4           HE       ARG   4  -2.016   0.947  -5.946
   26   HH11  ARG   4          1HH1      ARG   4  -1.687  -2.589  -6.279
   27   HH12  ARG   4          2HH1      ARG   4  -0.766  -2.468  -7.704
   28   HH21  ARG   4          1HH2      ARG   4  -0.772   1.053  -7.868
   29   HH22  ARG   4          2HH2      ARG   4  -0.219  -0.382  -8.618
   30    H    ABA   5           H        ABA   5  -1.445  -3.288  -3.214
   31    HA   ABA   5           HA       ABA   5   0.466  -2.843  -1.078
   32    HB3  ABA   5           1HB      ABA   5   1.840  -4.521  -2.279
   33    HB2  ABA   5           2HB      ABA   5   0.598  -4.624  -3.522
   34    HG1  ABA   5           3HG      ABA   5  -0.991  -5.452  -1.866
   35    HG3  ABA   5           1HG      ABA   5   0.265  -5.373  -0.631
   36    HG2  ABA   5           2HG      ABA   5   0.432  -6.484  -1.994
   37    H    VAL   6           H        VAL   6   1.605  -1.098  -1.217
   38    HA   VAL   6           HA       VAL   6   2.551  -0.281  -3.854
   39    HB   VAL   6           HB       VAL   6   1.074   1.423  -2.842
   40   HG11  VAL   6          1HG1      VAL   6   1.703   2.639  -0.822
   41   HG12  VAL   6          2HG1      VAL   6   3.033   1.508  -0.562
   42   HG13  VAL   6          3HG1      VAL   6   1.365   0.938  -0.495
   43   HG21  VAL   6          3HG2      VAL   6   3.970   2.268  -2.897
   44   HG22  VAL   6          1HG2      VAL   6   2.589   3.366  -2.959
   45   HG23  VAL   6          2HG2      VAL   6   2.861   2.217  -4.270
   46    H    CYS   7           H        CYS   7   4.708  -0.181  -4.132
   47    HA   CYS   7           HA       CYS   7   6.217  -1.001  -1.798
   48    HB2  CYS   7           2HB      CYS   7   6.987  -1.355  -4.703
   49    HB3  CYS   7           1HB      CYS   7   7.844  -2.006  -3.311
   50    H    ARG   8           H        ARG   8   7.946   0.050  -1.077
   51    HA   ARG   8           HA       ARG   8   8.787   2.451  -2.539
   52    HB2  ARG   8           2HB      ARG   8   8.361   2.201   0.448
   53    HB3  ARG   8           1HB      ARG   8   9.044   3.593  -0.364
   54    HG2  ARG   8           2HG      ARG   8   6.909   3.985  -1.489
   55    HG3  ARG   8           1HG      ARG   8   6.222   2.574  -0.673
   56    HD2  ARG   8           2HD      ARG   8   5.599   4.604   0.520
   57    HD3  ARG   8           1HD      ARG   8   6.686   3.629   1.501
   58    HE   ARG   8           HE       ARG   8   7.976   5.633  -0.098
   59   HH11  ARG   8          1HH1      ARG   8   6.494   4.956   3.074
   60   HH12  ARG   8          2HH1      ARG   8   7.303   6.216   3.878
   61   HH21  ARG   8          1HH2      ARG   8   9.057   7.418   1.024
   62   HH22  ARG   8          2HH2      ARG   8   8.772   7.659   2.681
   63    H    ARG   9           H        ARG   9  10.743   1.926  -3.141
   64    HA   ARG   9           HA       ARG   9  12.842   1.239  -3.231
   65    HB2  ARG   9           2HB      ARG   9  13.077   3.101  -1.597
   66    HB3  ARG   9           1HB      ARG   9  12.899   1.960  -0.281
   67    HG2  ARG   9           2HG      ARG   9  15.248   2.645  -0.696
   68    HG3  ARG   9           1HG      ARG   9  14.993   0.905  -0.838
   69    HD2  ARG   9           2HD      ARG   9  16.430   1.742  -2.630
   70    HD3  ARG   9           1HD      ARG   9  14.923   1.100  -3.269
   71    HE   ARG   9           HE       ARG   9  15.028   3.954  -2.787
   72   HH11  ARG   9          1HH1      ARG   9  15.272   1.362  -5.190
   73   HH12  ARG   9          2HH1      ARG   9  15.074   2.391  -6.530
   74   HH21  ARG   9          1HH2      ARG   9  14.751   5.361  -4.658
   75   HH22  ARG   9          2HH2      ARG   9  14.775   4.693  -6.222
   76    H    GLY  10           H        GLY  10  11.109  -0.786  -3.074
   77    HA2  GLY  10           2HA      GLY  10  11.473  -3.091  -3.142
   78    HA3  GLY  10           1HA      GLY  10  12.859  -2.881  -2.082
   79    H    VAL  11           H        VAL  11  10.536  -1.161  -0.591
   80    HA   VAL  11           HA       VAL  11   9.851  -3.453   1.101
   81    HB   VAL  11           HB       VAL  11   9.610  -0.483   1.699
   82   HG11  VAL  11          1HG1      VAL  11   9.390  -2.874   3.521
   83   HG12  VAL  11          2HG1      VAL  11   8.068  -1.823   3.004
   84   HG13  VAL  11          3HG1      VAL  11   9.348  -1.186   4.038
   85   HG21  VAL  11          3HG2      VAL  11  11.592  -0.751   3.121
   86   HG22  VAL  11          1HG2      VAL  11  11.955  -1.111   1.432
   87   HG23  VAL  11          2HG2      VAL  11  11.736  -2.424   2.591
   88    H    CYS  12           H        CYS  12   7.926  -4.292   0.501
   89    HA   CYS  12           HA       CYS  12   6.012  -2.455  -0.626
   90    HB2  CYS  12           2HB      CYS  12   5.864  -5.455  -0.484
   91    HB3  CYS  12           1HB      CYS  12   4.738  -4.404  -1.319
   92    H    ARG  13           H        ARG  13   4.351  -1.757   0.241
   93    HA   ARG  13           HA       ARG  13   3.631  -2.882   2.848
   94    HB2  ARG  13           2HB      ARG  13   4.638  -0.612   3.028
   95    HB3  ARG  13           1HB      ARG  13   3.351  -0.001   1.991
   96    HG2  ARG  13           2HG      ARG  13   2.863   0.504   4.284
   97    HG3  ARG  13           1HG      ARG  13   1.696  -0.655   3.639
   98    HD2  ARG  13           2HD      ARG  13   3.004  -2.495   4.688
   99    HD3  ARG  13           1HD      ARG  13   4.069  -1.276   5.385
  100    HE   ARG  13           HE       ARG  13   1.312  -0.911   6.057
  101   HH11  ARG  13          1HH1      ARG  13   4.339  -2.501   6.969
  102   HH12  ARG  13          2HH1      ARG  13   3.830  -2.865   8.555
  103   HH21  ARG  13          1HH2      ARG  13   0.625  -1.406   8.218
  104   HH22  ARG  13          2HH2      ARG  13   1.663  -2.253   9.281
  105    H    ABA  14           H        ABA  14   1.693  -3.722   2.922
  106    HA   ABA  14           HA       ABA  14  -0.242  -3.113   0.854
  107    HB3  ABA  14           1HB      ABA  14  -0.394  -5.085   3.147
  108    HB2  ABA  14           2HB      ABA  14   0.180  -5.481   1.534
  109    HG1  ABA  14           3HG      ABA  14  -2.116  -6.217   1.847
  110    HG3  ABA  14           1HG      ABA  14  -2.025  -4.949   0.622
  111    HG2  ABA  14           2HG      ABA  14  -2.603  -4.567   2.246
  112    H    VAL  15           H        VAL  15  -1.083  -1.171   1.264
  113    HA   VAL  15           HA       VAL  15  -2.164  -0.658   3.925
  114    HB   VAL  15           HB       VAL  15  -2.592   1.673   3.115
  115   HG11  VAL  15          1HG1      VAL  15   0.255   0.758   2.765
  116   HG12  VAL  15          2HG1      VAL  15  -0.524   1.197   4.289
  117   HG13  VAL  15          3HG1      VAL  15  -0.259   2.421   3.046
  118   HG21  VAL  15          3HG2      VAL  15  -2.834   1.214   0.716
  119   HG22  VAL  15          1HG2      VAL  15  -1.121   0.800   0.620
  120   HG23  VAL  15          2HG2      VAL  15  -1.610   2.452   1.002
  121    H    CYS  16           H        CYS  16  -4.366  -0.552   4.240
  122    HA   CYS  16           HA       CYS  16  -5.869  -1.263   1.854
  123    HB2  CYS  16           2HB      CYS  16  -6.495  -2.166   4.675
  124    HB3  CYS  16           1HB      CYS  16  -7.348  -2.632   3.211
  125    H    ARG  17           H        ARG  17  -7.532  -0.111   1.338
  126    HA   ARG  17           HA       ARG  17  -8.540   1.792   3.307
  127    HB2  ARG  17           2HB      ARG  17  -8.568   3.590   1.588
  128    HB3  ARG  17           1HB      ARG  17  -6.955   3.101   2.069
  129    HG2  ARG  17           2HG      ARG  17  -6.726   1.812   0.009
  130    HG3  ARG  17           1HG      ARG  17  -8.370   2.257  -0.453
  131    HD2  ARG  17           2HD      ARG  17  -6.735   3.669  -1.591
  132    HD3  ARG  17           1HD      ARG  17  -7.714   4.617  -0.477
  133    HE   ARG  17           HE       ARG  17  -5.498   3.857   0.952
  134   HH11  ARG  17          1HH1      ARG  17  -6.125   5.859  -1.897
  135   HH12  ARG  17          2HH1      ARG  17  -4.690   6.765  -1.735
  136   HH21  ARG  17          1HH2      ARG  17  -3.594   5.082   1.174
  137   HH22  ARG  17          2HH2      ARG  17  -3.185   6.295   0.045
  138    H    ARG  18           H        ARG  18 -10.612   1.752   3.447
  139    HA   ARG  18           HA       ARG  18 -12.793   1.416   3.079
  140    HB2  ARG  18           2HB      ARG  18 -12.341   3.122   1.251
  141    HB3  ARG  18           1HB      ARG  18 -12.170   1.790   0.124
  142    HG2  ARG  18           2HG      ARG  18 -14.357   2.769  -0.090
  143    HG3  ARG  18           1HG      ARG  18 -14.514   1.151   0.599
  144    HD2  ARG  18           2HD      ARG  18 -14.648   2.162   2.842
  145    HD3  ARG  18           1HD      ARG  18 -14.584   3.762   2.099
  146    HE   ARG  18           HE       ARG  18 -16.651   2.080   1.095
  147   HH11  ARG  18          1HH1      ARG  18 -15.802   4.432   3.613
  148   HH12  ARG  18          2HH1      ARG  18 -17.424   4.836   3.969
  149   HH21  ARG  18          1HH2      ARG  18 -18.850   2.612   1.614
  150   HH22  ARG  18          2HH2      ARG  18 -19.205   3.766   2.807
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1 -11.447  -0.442   2.313
    2    HA2  GLY   1           2HA      GLY   1 -12.208  -2.646   2.238
    3    HA3  GLY   1           1HA      GLY   1 -13.251  -2.204   0.896
    4    H    VAL   2           H        VAL   2 -10.094  -1.133   0.363
    5    HA   VAL   2           HA       VAL   2  -9.538  -3.475  -1.321
    6    HB   VAL   2           HB       VAL   2  -8.932  -0.571  -1.968
    7   HG11  VAL   2          1HG1      VAL   2  -7.303  -2.076  -2.939
    8   HG12  VAL   2          2HG1      VAL   2  -8.328  -1.400  -4.203
    9   HG13  VAL   2          3HG1      VAL   2  -8.591  -3.055  -3.643
   10   HG21  VAL   2          3HG2      VAL   2 -11.324  -0.955  -2.125
   11   HG22  VAL   2          1HG2      VAL   2 -11.058  -2.369  -3.144
   12   HG23  VAL   2          2HG2      VAL   2 -10.637  -0.762  -3.739
   13    H    CYS   3           H        CYS   3  -7.490  -4.248  -1.111
   14    HA   CYS   3           HA       CYS   3  -5.766  -2.722   0.637
   15    HB2  CYS   3           2HB      CYS   3  -5.632  -5.631  -0.076
   16    HB3  CYS   3           1HB      CYS   3  -4.485  -4.809   0.960
   17    H    ARG   4           H        ARG   4  -4.099  -1.847  -0.006
   18    HA   ARG   4           HA       ARG   4  -3.139  -2.257  -2.763
   19    HB2  ARG   4           2HB      ARG   4  -4.078  -0.043  -2.426
   20    HB3  ARG   4           1HB      ARG   4  -3.155   0.150  -0.956
   21    HG2  ARG   4           2HG      ARG   4  -2.176   1.524  -2.632
   22    HG3  ARG   4           1HG      ARG   4  -1.091   0.192  -2.269
   23    HD2  ARG   4           2HD      ARG   4  -2.986   0.146  -4.604
   24    HD3  ARG   4           1HD      ARG   4  -1.392   0.879  -4.723
   25    HE   ARG   4           HE       ARG   4  -0.571  -1.411  -4.044
   26   HH11  ARG   4          1HH1      ARG   4  -3.595  -0.950  -5.894
   27   HH12  ARG   4          2HH1      ARG   4  -3.414  -2.406  -6.756
   28   HH21  ARG   4          1HH2      ARG   4  -0.363  -3.435  -5.353
   29   HH22  ARG   4          2HH2      ARG   4  -1.592  -3.804  -6.452
   30    H    ABA   5           H        ABA   5  -1.279  -3.346  -2.732
   31    HA   ABA   5           HA       ABA   5   0.520  -2.942  -0.529
   32    HB3  ABA   5           1HB      ABA   5   0.476  -5.206  -1.503
   33    HB2  ABA   5           2HB      ABA   5   2.067  -4.499  -1.718
   34    HG1  ABA   5           3HG      ABA   5   1.386  -5.739  -3.689
   35    HG3  ABA   5           1HG      ABA   5   1.581  -4.022  -4.040
   36    HG2  ABA   5           2HG      ABA   5  -0.034  -4.703  -3.858
   37    H    VAL   6           H        VAL   6   1.492  -1.128  -0.407
   38    HA   VAL   6           HA       VAL   6   2.259   0.192  -2.861
   39    HB   VAL   6           HB       VAL   6   0.932   1.612  -1.355
   40   HG11  VAL   6          1HG1      VAL   6   1.439   0.618   0.793
   41   HG12  VAL   6          2HG1      VAL   6   1.742   2.356   0.829
   42   HG13  VAL   6          3HG1      VAL   6   3.090   1.227   0.700
   43   HG21  VAL   6          3HG2      VAL   6   3.814   2.482  -1.491
   44   HG22  VAL   6          1HG2      VAL   6   2.441   3.550  -1.181
   45   HG23  VAL   6          2HG2      VAL   6   2.583   2.718  -2.730
   46    H    CYS   7           H        CYS   7   4.159  -0.199  -3.517
   47    HA   CYS   7           HA       CYS   7   6.113  -1.054  -1.573
   48    HB2  CYS   7           2HB      CYS   7   6.239  -1.277  -4.586
   49    HB3  CYS   7           1HB      CYS   7   7.341  -2.027  -3.429
   50    H    ARG   8           H        ARG   8   7.748   0.004  -1.029
   51    HA   ARG   8           HA       ARG   8   8.261   2.529  -2.409
   52    HB2  ARG   8           2HB      ARG   8   8.369   1.880   0.530
   53    HB3  ARG   8           1HB      ARG   8   8.956   3.375  -0.172
   54    HG2  ARG   8           2HG      ARG   8   6.670   3.865  -0.959
   55    HG3  ARG   8           1HG      ARG   8   6.114   2.380  -0.189
   56    HD2  ARG   8           2HD      ARG   8   5.677   4.305   1.235
   57    HD3  ARG   8           1HD      ARG   8   6.852   3.216   1.964
   58    HE   ARG   8           HE       ARG   8   8.592   4.788   1.146
   59   HH11  ARG   8          1HH1      ARG   8   5.305   6.043   1.597
   60   HH12  ARG   8          2HH1      ARG   8   5.806   7.585   2.080
   61   HH21  ARG   8          1HH2      ARG   8   9.279   6.929   1.822
   62   HH22  ARG   8          2HH2      ARG   8   8.114   8.115   2.203
   63    H    ARG   9           H        ARG   9  10.039   2.190  -3.478
   64    HA   ARG   9           HA       ARG   9  12.090   1.510  -4.109
   65    HB2  ARG   9           2HB      ARG   9  12.560   3.416  -2.637
   66    HB3  ARG   9           1HB      ARG   9  12.637   2.355  -1.254
   67    HG2  ARG   9           2HG      ARG   9  14.658   1.310  -2.169
   68    HG3  ARG   9           1HG      ARG   9  14.568   2.374  -3.574
   69    HD2  ARG   9           2HD      ARG   9  16.161   3.174  -1.854
   70    HD3  ARG   9           1HD      ARG   9  14.859   4.324  -2.181
   71    HE   ARG   9           HE       ARG   9  14.014   2.749  -0.088
   72   HH11  ARG   9          1HH1      ARG   9  16.674   5.036  -0.595
   73   HH12  ARG   9          2HH1      ARG   9  16.741   5.502   1.045
   74   HH21  ARG   9          1HH2      ARG   9  14.098   3.425   2.116
   75   HH22  ARG   9          2HH2      ARG   9  15.249   4.582   2.600
   76    H    GLY  10           H        GLY  10  10.669  -0.657  -3.709
   77    HA2  GLY  10           2HA      GLY  10  11.271  -2.904  -3.891
   78    HA3  GLY  10           1HA      GLY  10  12.764  -2.549  -3.039
   79    H    VAL  11           H        VAL  11  10.361  -1.209  -1.192
   80    HA   VAL  11           HA       VAL  11  10.078  -3.712   0.323
   81    HB   VAL  11           HB       VAL  11  10.156  -0.883   1.449
   82   HG11  VAL  11          1HG1      VAL  11  10.133  -1.961   3.657
   83   HG12  VAL  11          2HG1      VAL  11   9.986  -3.536   2.887
   84   HG13  VAL  11          3HG1      VAL  11   8.680  -2.354   2.737
   85   HG21  VAL  11          3HG2      VAL  11  12.359  -1.662   0.717
   86   HG22  VAL  11          1HG2      VAL  11  12.168  -3.125   1.681
   87   HG23  VAL  11          2HG2      VAL  11  12.279  -1.552   2.476
   88    H    CYS  12           H        CYS  12   8.078  -4.449   0.256
   89    HA   CYS  12           HA       CYS  12   5.983  -2.610  -0.509
   90    HB2  CYS  12           2HB      CYS  12   5.977  -5.590  -0.412
   91    HB3  CYS  12           1HB      CYS  12   4.627  -4.603  -0.941
   92    H    ARG  13           H        ARG  13   4.533  -1.902   0.610
   93    HA   ARG  13           HA       ARG  13   4.059  -2.987   3.311
   94    HB2  ARG  13           2HB      ARG  13   5.071  -0.707   3.242
   95    HB3  ARG  13           1HB      ARG  13   3.703  -0.150   2.302
   96    HG2  ARG  13           2HG      ARG  13   3.522   0.533   4.610
   97    HG3  ARG  13           1HG      ARG  13   2.222  -0.575   4.161
   98    HD2  ARG  13           2HD      ARG  13   3.206  -1.047   6.400
   99    HD3  ARG  13           1HD      ARG  13   3.320  -2.403   5.282
  100    HE   ARG  13           HE       ARG  13   5.647  -0.835   5.127
  101   HH11  ARG  13          1HH1      ARG  13   4.084  -3.138   7.340
  102   HH12  ARG  13          2HH1      ARG  13   5.555  -3.659   8.016
  103   HH21  ARG  13          1HH2      ARG  13   7.612  -1.581   6.016
  104   HH22  ARG  13          2HH2      ARG  13   7.624  -2.788   7.228
  105    H    ABA  14           H        ABA  14   2.046  -3.807   3.588
  106    HA   ABA  14           HA       ABA  14   0.079  -3.341   1.497
  107    HB3  ABA  14           1HB      ABA  14   0.049  -5.294   3.811
  108    HB2  ABA  14           2HB      ABA  14   0.539  -5.671   2.164
  109    HG1  ABA  14           3HG      ABA  14  -1.727  -5.214   1.376
  110    HG3  ABA  14           1HG      ABA  14  -2.219  -4.835   3.028
  111    HG2  ABA  14           2HG      ABA  14  -1.710  -6.473   2.611
  112    H    VAL  15           H        VAL  15  -1.200  -1.650   1.756
  113    HA   VAL  15           HA       VAL  15  -2.240  -1.123   4.430
  114    HB   VAL  15           HB       VAL  15  -2.555   1.245   3.725
  115   HG11  VAL  15          1HG1      VAL  15   0.288   0.277   3.534
  116   HG12  VAL  15          2HG1      VAL  15  -0.585   0.663   5.017
  117   HG13  VAL  15          3HG1      VAL  15  -0.201   1.939   3.862
  118   HG21  VAL  15          3HG2      VAL  15  -2.639   0.956   1.302
  119   HG22  VAL  15          1HG2      VAL  15  -0.943   0.470   1.291
  120   HG23  VAL  15          2HG2      VAL  15  -1.385   2.118   1.736
  121    H    CYS  16           H        CYS  16  -4.431  -1.038   4.622
  122    HA   CYS  16           HA       CYS  16  -5.876  -1.485   2.129
  123    HB2  CYS  16           2HB      CYS  16  -6.652  -2.425   4.903
  124    HB3  CYS  16           1HB      CYS  16  -7.551  -2.740   3.423
  125    H    ARG  17           H        ARG  17  -7.666  -0.346   1.668
  126    HA   ARG  17           HA       ARG  17  -8.830   1.488   3.537
  127    HB2  ARG  17           2HB      ARG  17  -8.370   3.497   2.163
  128    HB3  ARG  17           1HB      ARG  17  -6.917   2.840   2.906
  129    HG2  ARG  17           2HG      ARG  17  -6.244   1.848   0.807
  130    HG3  ARG  17           1HG      ARG  17  -7.751   2.359   0.050
  131    HD2  ARG  17           2HD      ARG  17  -5.912   3.829  -0.563
  132    HD3  ARG  17           1HD      ARG  17  -7.125   4.691   0.379
  133    HE   ARG  17           HE       ARG  17  -5.439   4.036   2.291
  134   HH11  ARG  17          1HH1      ARG  17  -4.734   5.266  -0.942
  135   HH12  ARG  17          2HH1      ARG  17  -3.351   6.144  -0.480
  136   HH21  ARG  17          1HH2      ARG  17  -3.532   5.291   2.947
  137   HH22  ARG  17          2HH2      ARG  17  -2.675   6.158   1.755
  138    H    ARG  18           H        ARG  18 -10.870   1.949   2.910
  139    HA   ARG  18           HA       ARG  18 -12.796   2.038   1.731
  140    HB2  ARG  18           2HB      ARG  18 -11.418   3.529   0.241
  141    HB3  ARG  18           1HB      ARG  18 -10.977   2.135  -0.707
  142    HG2  ARG  18           2HG      ARG  18 -12.638   3.453  -1.874
  143    HG3  ARG  18           1HG      ARG  18 -13.329   1.895  -1.423
  144    HD2  ARG  18           2HD      ARG  18 -13.707   4.396   0.211
  145    HD3  ARG  18           1HD      ARG  18 -14.798   3.941  -1.094
  146    HE   ARG  18           HE       ARG  18 -14.920   1.761   0.303
  147   HH11  ARG  18          1HH1      ARG  18 -14.829   5.065   1.594
  148   HH12  ARG  18          2HH1      ARG  18 -15.811   4.715   2.933
  149   HH21  ARG  18          1HH2      ARG  18 -16.278   1.292   2.156
  150   HH22  ARG  18          2HH2      ARG  18 -16.660   2.510   3.265
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1 -10.718  -1.189   3.207
    2    HA2  GLY   1           2HA      GLY   1 -10.960  -3.546   3.015
    3    HA3  GLY   1           1HA      GLY   1 -12.429  -3.286   2.090
    4    H    VAL   2           H        VAL   2 -10.415  -1.178   0.673
    5    HA   VAL   2           HA       VAL   2  -9.726  -3.130  -1.389
    6    HB   VAL   2           HB       VAL   2  -9.579  -0.090  -1.457
    7   HG11  VAL   2          1HG1      VAL   2  -9.313  -2.097  -3.700
    8   HG12  VAL   2          2HG1      VAL   2  -8.011  -1.118  -3.020
    9   HG13  VAL   2          3HG1      VAL   2  -9.338  -0.343  -3.889
   10   HG21  VAL   2          3HG2      VAL   2 -11.648  -1.945  -2.636
   11   HG22  VAL   2          1HG2      VAL   2 -11.576  -0.200  -2.889
   12   HG23  VAL   2          2HG2      VAL   2 -11.881  -0.846  -1.277
   13    H    CYS   3           H        CYS   3  -7.737  -3.948  -1.279
   14    HA   CYS   3           HA       CYS   3  -5.866  -2.441   0.320
   15    HB2  CYS   3           2HB      CYS   3  -5.835  -5.332  -0.416
   16    HB3  CYS   3           1HB      CYS   3  -4.561  -4.541   0.494
   17    H    ARG   4           H        ARG   4  -4.204  -1.575  -0.388
   18    HA   ARG   4           HA       ARG   4  -3.394  -2.059  -3.180
   19    HB2  ARG   4           2HB      ARG   4  -4.235   0.233  -2.757
   20    HB3  ARG   4           1HB      ARG   4  -3.022   0.428  -1.494
   21    HG2  ARG   4           2HG      ARG   4  -2.327   1.581  -3.489
   22    HG3  ARG   4           1HG      ARG   4  -1.261   0.216  -3.153
   23    HD2  ARG   4           2HD      ARG   4  -1.770   0.339  -5.529
   24    HD3  ARG   4           1HD      ARG   4  -2.465  -1.123  -4.831
   25    HE   ARG   4           HE       ARG   4  -4.062   1.305  -5.219
   26   HH11  ARG   4          1HH1      ARG   4  -3.649  -2.172  -5.742
   27   HH12  ARG   4          2HH1      ARG   4  -5.132  -2.355  -6.552
   28   HH21  ARG   4          1HH2      ARG   4  -6.053   1.050  -6.331
   29   HH22  ARG   4          2HH2      ARG   4  -6.516  -0.480  -6.947
   30    H    ABA   5           H        ABA   5  -1.493  -3.040  -3.400
   31    HA   ABA   5           HA       ABA   5   0.344  -3.161  -1.165
   32    HB3  ABA   5           1HB      ABA   5   0.539  -4.399  -3.929
   33    HB2  ABA   5           2HB      ABA   5  -0.135  -5.204  -2.517
   34    HG1  ABA   5           3HG      ABA   5   2.723  -4.304  -2.832
   35    HG3  ABA   5           1HG      ABA   5   2.132  -5.963  -2.955
   36    HG2  ABA   5           2HG      ABA   5   2.046  -5.105  -1.415
   37    H    VAL   6           H        VAL   6   1.406  -1.289  -0.924
   38    HA   VAL   6           HA       VAL   6   2.324   0.165  -3.259
   39    HB   VAL   6           HB       VAL   6   2.295   0.922  -0.320
   40   HG11  VAL   6          1HG1      VAL   6   2.975   2.606  -2.732
   41   HG12  VAL   6          2HG1      VAL   6   4.104   2.063  -1.490
   42   HG13  VAL   6          3HG1      VAL   6   2.814   3.196  -1.082
   43   HG21  VAL   6          3HG2      VAL   6   0.543   1.847  -2.592
   44   HG22  VAL   6          1HG2      VAL   6   0.493   2.458  -0.940
   45   HG23  VAL   6          2HG2      VAL   6   0.059   0.781  -1.275
   46    H    CYS   7           H        CYS   7   4.217  -0.620  -3.958
   47    HA   CYS   7           HA       CYS   7   6.172  -1.375  -1.975
   48    HB2  CYS   7           2HB      CYS   7   6.214  -1.789  -4.979
   49    HB3  CYS   7           1HB      CYS   7   7.464  -2.337  -3.871
   50    H    ARG   8           H        ARG   8   7.876  -0.226  -1.530
   51    HA   ARG   8           HA       ARG   8   8.881   1.732  -3.367
   52    HB2  ARG   8           2HB      ARG   8   8.781   3.576  -1.650
   53    HB3  ARG   8           1HB      ARG   8   7.238   3.127  -2.356
   54    HG2  ARG   8           2HG      ARG   8   6.659   1.872  -0.367
   55    HG3  ARG   8           1HG      ARG   8   8.243   2.223   0.330
   56    HD2  ARG   8           2HD      ARG   8   6.214   4.308  -0.450
   57    HD3  ARG   8           1HD      ARG   8   6.431   3.696   1.190
   58    HE   ARG   8           HE       ARG   8   8.895   4.491   0.541
   59   HH11  ARG   8          1HH1      ARG   8   5.796   6.174   0.277
   60   HH12  ARG   8          2HH1      ARG   8   6.473   7.725   0.536
   61   HH21  ARG   8          1HH2      ARG   8   9.787   6.616   0.962
   62   HH22  ARG   8          2HH2      ARG   8   8.750   7.969   0.946
   63    H    ARG   9           H        ARG   9  10.981   1.774  -3.251
   64    HA   ARG   9           HA       ARG   9  13.130   1.562  -2.596
   65    HB2  ARG   9           2HB      ARG   9  12.334   3.195  -0.833
   66    HB3  ARG   9           1HB      ARG   9  12.064   1.836   0.236
   67    HG2  ARG   9           2HG      ARG   9  14.118   2.911   0.842
   68    HG3  ARG   9           1HG      ARG   9  14.488   1.340   0.132
   69    HD2  ARG   9           2HD      ARG   9  15.045   2.418  -1.986
   70    HD3  ARG   9           1HD      ARG   9  14.625   3.987  -1.308
   71    HE   ARG   9           HE       ARG   9  16.537   2.702   0.304
   72   HH11  ARG   9          1HH1      ARG   9  16.364   4.398  -2.814
   73   HH12  ARG   9          2HH1      ARG   9  17.985   4.937  -2.744
   74   HH21  ARG   9          1HH2      ARG   9  18.735   3.415   0.351
   75   HH22  ARG   9          2HH2      ARG   9  19.348   4.377  -0.916
   76    H    GLY  10           H        GLY  10  11.497  -0.723  -2.939
   77    HA2  GLY  10           2HA      GLY  10  11.938  -3.008  -2.956
   78    HA3  GLY  10           1HA      GLY  10  13.273  -2.721  -1.845
   79    H    VAL  11           H        VAL  11  10.432  -1.273  -0.760
   80    HA   VAL  11           HA       VAL  11   9.927  -3.519   1.070
   81    HB   VAL  11           HB       VAL  11   9.388  -0.581   1.544
   82   HG11  VAL  11          1HG1      VAL  11   9.074  -1.217   3.877
   83   HG12  VAL  11          2HG1      VAL  11   9.362  -2.904   3.462
   84   HG13  VAL  11          3HG1      VAL  11   7.950  -2.064   2.814
   85   HG21  VAL  11          3HG2      VAL  11  11.314  -0.576   3.078
   86   HG22  VAL  11          1HG2      VAL  11  11.799  -0.901   1.415
   87   HG23  VAL  11          2HG2      VAL  11  11.706  -2.220   2.579
   88    H    CYS  12           H        CYS  12   7.968  -4.413   0.676
   89    HA   CYS  12           HA       CYS  12   6.026  -2.709  -0.627
   90    HB2  CYS  12           2HB      CYS  12   6.064  -5.671  -0.356
   91    HB3  CYS  12           1HB      CYS  12   4.767  -4.775  -1.121
   92    H    ARG  13           H        ARG  13   4.637  -1.866   0.400
   93    HA   ARG  13           HA       ARG  13   3.782  -2.989   3.003
   94    HB2  ARG  13           2HB      ARG  13   5.093  -0.845   3.107
   95    HB3  ARG  13           1HB      ARG  13   3.791  -0.090   2.202
   96    HG2  ARG  13           2HG      ARG  13   3.572   0.445   4.529
   97    HG3  ARG  13           1HG      ARG  13   2.239  -0.593   4.007
   98    HD2  ARG  13           2HD      ARG  13   3.255  -2.509   5.016
   99    HD3  ARG  13           1HD      ARG  13   4.728  -1.623   5.379
  100    HE   ARG  13           HE       ARG  13   2.109  -1.187   6.648
  101   HH11  ARG  13          1HH1      ARG  13   5.646  -0.978   6.773
  102   HH12  ARG  13          2HH1      ARG  13   5.701  -0.652   8.438
  103   HH21  ARG  13          1HH2      ARG  13   2.200  -0.725   8.904
  104   HH22  ARG  13          2HH2      ARG  13   3.693  -0.502   9.689
  105    H    ABA  14           H        ABA  14   1.658  -3.431   3.135
  106    HA   ABA  14           HA       ABA  14  -0.015  -2.623   0.906
  107    HB3  ABA  14           1HB      ABA  14  -0.567  -4.577   3.159
  108    HB2  ABA  14           2HB      ABA  14   0.025  -5.009   1.560
  109    HG1  ABA  14           3HG      ABA  14  -2.045  -4.216   0.558
  110    HG3  ABA  14           1HG      ABA  14  -2.646  -3.761   2.152
  111    HG2  ABA  14           2HG      ABA  14  -2.351  -5.457   1.773
  112    H    VAL  15           H        VAL  15  -1.562  -1.165   1.093
  113    HA   VAL  15           HA       VAL  15  -2.404  -0.406   3.769
  114    HB   VAL  15           HB       VAL  15  -0.939   1.396   2.902
  115   HG11  VAL  15          1HG1      VAL  15  -1.604   2.805   1.017
  116   HG12  VAL  15          2HG1      VAL  15  -2.926   1.693   0.665
  117   HG13  VAL  15          3HG1      VAL  15  -1.253   1.147   0.523
  118   HG21  VAL  15          3HG2      VAL  15  -3.837   2.213   3.073
  119   HG22  VAL  15          1HG2      VAL  15  -2.452   3.290   3.261
  120   HG23  VAL  15          2HG2      VAL  15  -2.725   1.999   4.427
  121    H    CYS  16           H        CYS  16  -4.448  -0.722   4.072
  122    HA   CYS  16           HA       CYS  16  -6.062  -1.124   1.701
  123    HB2  CYS  16           2HB      CYS  16  -6.601  -2.047   4.528
  124    HB3  CYS  16           1HB      CYS  16  -7.550  -2.465   3.105
  125    H    ARG  17           H        ARG  17  -7.832  -0.035   1.306
  126    HA   ARG  17           HA       ARG  17  -8.672   2.013   3.246
  127    HB2  ARG  17           2HB      ARG  17  -8.361   2.342   0.253
  128    HB3  ARG  17           1HB      ARG  17  -9.184   3.487   1.288
  129    HG2  ARG  17           2HG      ARG  17  -7.081   3.932   2.467
  130    HG3  ARG  17           1HG      ARG  17  -6.259   2.773   1.411
  131    HD2  ARG  17           2HD      ARG  17  -6.808   4.097  -0.536
  132    HD3  ARG  17           1HD      ARG  17  -7.740   5.215   0.453
  133    HE   ARG  17           HE       ARG  17  -5.119   5.120   1.421
  134   HH11  ARG  17          1HH1      ARG  17  -6.873   6.257  -1.421
  135   HH12  ARG  17          2HH1      ARG  17  -5.803   7.526  -1.785
  136   HH21  ARG  17          1HH2      ARG  17  -3.639   6.835   0.956
  137   HH22  ARG  17          2HH2      ARG  17  -3.883   7.863  -0.380
  138    H    ARG  18           H        ARG  18 -10.569   1.287   3.873
  139    HA   ARG  18           HA       ARG  18 -12.746   0.683   3.909
  140    HB2  ARG  18           2HB      ARG  18 -12.782   2.632   2.200
  141    HB3  ARG  18           1HB      ARG  18 -12.903   1.388   0.977
  142    HG2  ARG  18           2HG      ARG  18 -15.095   2.205   1.384
  143    HG3  ARG  18           1HG      ARG  18 -14.997   0.599   2.110
  144    HD2  ARG  18           2HD      ARG  18 -16.141   2.228   3.574
  145    HD3  ARG  18           1HD      ARG  18 -14.677   1.585   4.313
  146    HE   ARG  18           HE       ARG  18 -13.572   3.686   3.546
  147   HH11  ARG  18          1HH1      ARG  18 -17.056   3.710   4.112
  148   HH12  ARG  18          2HH1      ARG  18 -17.119   5.378   4.422
  149   HH21  ARG  18          1HH2      ARG  18 -13.651   5.895   3.966
  150   HH22  ARG  18          2HH2      ARG  18 -15.115   6.685   4.349
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1 -11.673  -1.398   2.668
    2    HA2  GLY   1           2HA      GLY   1 -12.096  -3.584   2.031
    3    HA3  GLY   1           1HA      GLY   1 -13.187  -2.994   0.790
    4    H    VAL   2           H        VAL   2 -10.432  -1.221   0.423
    5    HA   VAL   2           HA       VAL   2  -9.533  -3.044  -1.686
    6    HB   VAL   2           HB       VAL   2  -9.221  -0.028  -1.514
    7   HG11  VAL   2          1HG1      VAL   2  -7.422  -1.058  -2.779
    8   HG12  VAL   2          2HG1      VAL   2  -8.495  -0.164  -3.862
    9   HG13  VAL   2          3HG1      VAL   2  -8.591  -1.924  -3.774
   10   HG21  VAL   2          3HG2      VAL   2 -10.881   0.085  -3.329
   11   HG22  VAL   2          1HG2      VAL   2 -11.557  -0.628  -1.862
   12   HG23  VAL   2          2HG2      VAL   2 -11.104  -1.662  -3.218
   13    H    CYS   3           H        CYS   3  -7.520  -3.832  -1.483
   14    HA   CYS   3           HA       CYS   3  -5.897  -2.582   0.561
   15    HB2  CYS   3           2HB      CYS   3  -5.686  -5.313  -0.608
   16    HB3  CYS   3           1HB      CYS   3  -4.574  -4.664   0.585
   17    H    ARG   4           H        ARG   4  -4.451  -1.430   0.013
   18    HA   ARG   4           HA       ARG   4  -3.400  -1.458  -2.742
   19    HB2  ARG   4           2HB      ARG   4  -4.398   0.674  -1.838
   20    HB3  ARG   4           1HB      ARG   4  -3.110   0.688  -0.639
   21    HG2  ARG   4           2HG      ARG   4  -2.526   2.192  -2.384
   22    HG3  ARG   4           1HG      ARG   4  -1.460   0.784  -2.432
   23    HD2  ARG   4           2HD      ARG   4  -2.166   1.412  -4.693
   24    HD3  ARG   4           1HD      ARG   4  -2.825  -0.165  -4.264
   25    HE   ARG   4           HE       ARG   4  -4.609   1.894  -3.564
   26   HH11  ARG   4          1HH1      ARG   4  -3.495   0.069  -6.399
   27   HH12  ARG   4          2HH1      ARG   4  -4.882   0.401  -7.325
   28   HH21  ARG   4          1HH2      ARG   4  -6.516   2.349  -4.844
   29   HH22  ARG   4          2HH2      ARG   4  -6.633   1.717  -6.427
   30    H    ABA   5           H        ABA   5  -1.367  -2.116  -3.069
   31    HA   ABA   5           HA       ABA   5   0.487  -2.106  -0.818
   32    HB3  ABA   5           1HB      ABA   5   0.184  -4.236  -2.944
   33    HB2  ABA   5           2HB      ABA   5  -0.254  -4.409  -1.247
   34    HG1  ABA   5           3HG      ABA   5   1.871  -5.490  -1.770
   35    HG3  ABA   5           1HG      ABA   5   2.079  -4.179  -0.602
   36    HG2  ABA   5           2HG      ABA   5   2.528  -3.939  -2.289
   37    H    VAL   6           H        VAL   6   1.853  -0.534  -1.316
   38    HA   VAL   6           HA       VAL   6   2.867  -0.465  -4.058
   39    HB   VAL   6           HB       VAL   6   3.529   1.875  -3.689
   40   HG11  VAL   6          1HG1      VAL   6   0.603   1.398  -3.154
   41   HG12  VAL   6          2HG1      VAL   6   1.387   1.490  -4.733
   42   HG13  VAL   6          3HG1      VAL   6   1.296   2.921  -3.707
   43   HG21  VAL   6          3HG2      VAL   6   2.105   1.660  -1.028
   44   HG22  VAL   6          1HG2      VAL   6   2.708   3.158  -1.741
   45   HG23  VAL   6          2HG2      VAL   6   3.834   1.882  -1.273
   46    H    CYS   7           H        CYS   7   5.110  -0.510  -4.299
   47    HA   CYS   7           HA       CYS   7   6.445  -1.029  -1.778
   48    HB2  CYS   7           2HB      CYS   7   7.192  -2.246  -4.456
   49    HB3  CYS   7           1HB      CYS   7   7.891  -2.628  -2.889
   50    H    ARG   8           H        ARG   8   8.267  -0.042  -1.288
   51    HA   ARG   8           HA       ARG   8   9.208   1.945  -3.236
   52    HB2  ARG   8           2HB      ARG   8   8.996   2.300  -0.250
   53    HB3  ARG   8           1HB      ARG   8   9.531   3.506  -1.409
   54    HG2  ARG   8           2HG      ARG   8   7.276   3.511  -2.400
   55    HG3  ARG   8           1HG      ARG   8   6.756   2.360  -1.168
   56    HD2  ARG   8           2HD      ARG   8   6.113   4.557  -0.468
   57    HD3  ARG   8           1HD      ARG   8   7.432   4.012   0.563
   58    HE   ARG   8           HE       ARG   8   8.439   5.451  -1.640
   59   HH11  ARG   8          1HH1      ARG   8   6.963   5.900   1.536
   60   HH12  ARG   8          2HH1      ARG   8   7.355   7.549   1.643
   61   HH21  ARG   8          1HH2      ARG   8   8.998   7.723  -1.499
   62   HH22  ARG   8          2HH2      ARG   8   8.503   8.604  -0.132
   63    H    ARG   9           H        ARG   9  11.114   1.265  -3.813
   64    HA   ARG   9           HA       ARG   9  13.241   0.541  -3.830
   65    HB2  ARG   9           2HB      ARG   9  13.445   2.387  -2.043
   66    HB3  ARG   9           1HB      ARG   9  13.341   1.102  -0.849
   67    HG2  ARG   9           2HG      ARG   9  15.635   1.567  -1.095
   68    HG3  ARG   9           1HG      ARG   9  15.339   0.070  -1.977
   69    HD2  ARG   9           2HD      ARG   9  15.138   1.426  -4.067
   70    HD3  ARG   9           1HD      ARG   9  15.641   2.834  -3.132
   71    HE   ARG   9           HE       ARG   9  17.243   0.419  -3.468
   72   HH11  ARG   9          1HH1      ARG   9  17.086   3.977  -3.224
   73   HH12  ARG   9          2HH1      ARG   9  18.755   4.170  -3.499
   74   HH21  ARG   9          1HH2      ARG   9  19.510   0.744  -3.832
   75   HH22  ARG   9          2HH2      ARG   9  20.127   2.341  -3.825
   76    H    GLY  10           H        GLY  10  11.077  -1.210  -3.351
   77    HA2  GLY  10           2HA      GLY  10  11.101  -3.559  -3.341
   78    HA3  GLY  10           1HA      GLY  10  12.577  -3.516  -2.386
   79    H    VAL  11           H        VAL  11  10.821  -1.359  -0.794
   80    HA   VAL  11           HA       VAL  11   9.968  -3.410   1.099
   81    HB   VAL  11           HB       VAL  11  10.261  -0.414   1.525
   82   HG11  VAL  11          1HG1      VAL  11   8.621  -1.414   3.034
   83   HG12  VAL  11          2HG1      VAL  11  10.084  -0.952   3.912
   84   HG13  VAL  11          3HG1      VAL  11   9.795  -2.643   3.509
   85   HG21  VAL  11          3HG2      VAL  11  12.420  -1.485   1.123
   86   HG22  VAL  11          1HG2      VAL  11  12.061  -2.680   2.371
   87   HG23  VAL  11          2HG2      VAL  11  12.269  -0.986   2.811
   88    H    CYS  12           H        CYS  12   7.947  -3.981   1.018
   89    HA   CYS  12           HA       CYS  12   6.125  -2.272  -0.373
   90    HB2  CYS  12           2HB      CYS  12   5.793  -5.094   0.562
   91    HB3  CYS  12           1HB      CYS  12   4.625  -4.200  -0.404
   92    H    ARG  13           H        ARG  13   4.601  -1.230   0.363
   93    HA   ARG  13           HA       ARG  13   3.821  -1.458   3.184
   94    HB2  ARG  13           2HB      ARG  13   4.587   0.792   2.586
   95    HB3  ARG  13           1HB      ARG  13   3.537   0.804   1.180
   96    HG2  ARG  13           2HG      ARG  13   2.611   2.190   2.908
   97    HG3  ARG  13           1HG      ARG  13   1.585   0.783   2.629
   98    HD2  ARG  13           2HD      ARG  13   1.757   1.162   5.004
   99    HD3  ARG  13           1HD      ARG  13   2.653  -0.303   4.600
  100    HE   ARG  13           HE       ARG  13   4.069   2.221   4.762
  101   HH11  ARG  13          1HH1      ARG  13   3.465  -0.973   6.173
  102   HH12  ARG  13          2HH1      ARG  13   4.740  -0.853   7.308
  103   HH21  ARG  13          1HH2      ARG  13   5.808   2.341   6.337
  104   HH22  ARG  13          2HH2      ARG  13   6.092   1.032   7.378
  105    H    ABA  14           H        ABA  14   1.923  -2.475   3.471
  106    HA   ABA  14           HA       ABA  14  -0.009  -2.458   1.271
  107    HB3  ABA  14           1HB      ABA  14   0.461  -4.605   3.358
  108    HB2  ABA  14           2HB      ABA  14   0.962  -4.707   1.676
  109    HG1  ABA  14           3HG      ABA  14  -1.381  -4.654   0.967
  110    HG3  ABA  14           1HG      ABA  14  -1.884  -4.567   2.655
  111    HG2  ABA  14           2HG      ABA  14  -1.051  -6.002   2.055
  112    H    VAL  15           H        VAL  15  -1.734  -1.329   1.752
  113    HA   VAL  15           HA       VAL  15  -2.625  -1.265   4.517
  114    HB   VAL  15           HB       VAL  15  -1.426   0.863   4.070
  115   HG11  VAL  15          1HG1      VAL  15  -3.478   1.343   1.923
  116   HG12  VAL  15          2HG1      VAL  15  -1.755   1.067   1.685
  117   HG13  VAL  15          3HG1      VAL  15  -2.303   2.524   2.507
  118   HG21  VAL  15          3HG2      VAL  15  -3.257   0.873   5.650
  119   HG22  VAL  15          1HG2      VAL  15  -4.404   1.196   4.353
  120   HG23  VAL  15          2HG2      VAL  15  -3.196   2.408   4.779
  121    H    CYS  16           H        CYS  16  -4.764  -1.578   4.725
  122    HA   CYS  16           HA       CYS  16  -6.243  -1.693   2.232
  123    HB2  CYS  16           2HB      CYS  16  -6.866  -3.081   4.845
  124    HB3  CYS  16           1HB      CYS  16  -7.796  -3.229   3.360
  125    H    ARG  17           H        ARG  17  -8.046  -0.573   1.929
  126    HA   ARG  17           HA       ARG  17  -9.288   0.810   4.100
  127    HB2  ARG  17           2HB      ARG  17  -9.005   3.054   2.990
  128    HB3  ARG  17           1HB      ARG  17  -7.569   2.399   3.763
  129    HG2  ARG  17           2HG      ARG  17  -6.739   1.681   1.564
  130    HG3  ARG  17           1HG      ARG  17  -8.165   2.386   0.804
  131    HD2  ARG  17           2HD      ARG  17  -6.208   3.873   0.690
  132    HD3  ARG  17           1HD      ARG  17  -7.547   4.580   1.596
  133    HE   ARG  17           HE       ARG  17  -6.045   3.380   3.505
  134   HH11  ARG  17          1HH1      ARG  17  -5.269   5.715   0.972
  135   HH12  ARG  17          2HH1      ARG  17  -4.123   6.553   1.887
  136   HH21  ARG  17          1HH2      ARG  17  -4.468   4.488   4.767
  137   HH22  ARG  17          2HH2      ARG  17  -3.614   5.815   4.107
  138    H    ARG  18           H        ARG  18 -11.338   0.931   3.757
  139    HA   ARG  18           HA       ARG  18 -13.389   0.839   2.825
  140    HB2  ARG  18           2HB      ARG  18 -12.528   2.959   1.750
  141    HB3  ARG  18           1HB      ARG  18 -12.057   2.007   0.358
  142    HG2  ARG  18           2HG      ARG  18 -14.410   1.435  -0.030
  143    HG3  ARG  18           1HG      ARG  18 -14.863   2.402   1.372
  144    HD2  ARG  18           2HD      ARG  18 -13.935   4.389   0.316
  145    HD3  ARG  18           1HD      ARG  18 -13.454   3.427  -1.083
  146    HE   ARG  18           HE       ARG  18 -16.064   2.941  -0.954
  147   HH11  ARG  18          1HH1      ARG  18 -14.299   6.022  -0.835
  148   HH12  ARG  18          2HH1      ARG  18 -15.547   6.916  -1.564
  149   HH21  ARG  18          1HH2      ARG  18 -17.749   4.184  -1.986
  150   HH22  ARG  18          2HH2      ARG  18 -17.534   5.861  -2.219
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1 -10.592  -1.279   3.243
    2    HA2  GLY   1           2HA      GLY   1 -11.474  -3.521   2.948
    3    HA3  GLY   1           1HA      GLY   1 -12.768  -2.823   1.996
    4    H    VAL   2           H        VAL   2 -10.304  -1.152   0.729
    5    HA   VAL   2           HA       VAL   2  -9.811  -3.252  -1.263
    6    HB   VAL   2           HB       VAL   2  -9.602  -0.229  -1.570
    7   HG11  VAL   2          1HG1      VAL   2  -9.346  -0.683  -3.974
    8   HG12  VAL   2          2HG1      VAL   2  -9.352  -2.415  -3.639
    9   HG13  VAL   2          3HG1      VAL   2  -8.042  -1.404  -3.028
   10   HG21  VAL   2          3HG2      VAL   2 -11.594  -0.373  -2.961
   11   HG22  VAL   2          1HG2      VAL   2 -11.921  -0.996  -1.345
   12   HG23  VAL   2          2HG2      VAL   2 -11.677  -2.116  -2.686
   13    H    CYS   3           H        CYS   3  -7.834  -4.097  -1.122
   14    HA   CYS   3           HA       CYS   3  -5.891  -2.515   0.310
   15    HB2  CYS   3           2HB      CYS   3  -5.871  -5.441  -0.307
   16    HB3  CYS   3           1HB      CYS   3  -4.566  -4.608   0.517
   17    H    ARG   4           H        ARG   4  -4.130  -1.760  -0.439
   18    HA   ARG   4           HA       ARG   4  -3.405  -2.282  -3.256
   19    HB2  ARG   4           2HB      ARG   4  -4.309   0.035  -2.677
   20    HB3  ARG   4           1HB      ARG   4  -2.930   0.200  -1.605
   21    HG2  ARG   4           2HG      ARG   4  -2.386   1.396  -3.522
   22    HG3  ARG   4           1HG      ARG   4  -1.459  -0.100  -3.556
   23    HD2  ARG   4           2HD      ARG   4  -4.043   0.354  -5.071
   24    HD3  ARG   4           1HD      ARG   4  -2.448   0.576  -5.776
   25    HE   ARG   4           HE       ARG   4  -2.271  -1.936  -4.982
   26   HH11  ARG   4          1HH1      ARG   4  -4.888  -0.336  -6.753
   27   HH12  ARG   4          2HH1      ARG   4  -5.420  -1.789  -7.498
   28   HH21  ARG   4          1HH2      ARG   4  -3.012  -3.852  -5.979
   29   HH22  ARG   4          2HH2      ARG   4  -4.347  -3.835  -7.045
   30    H    ABA   5           H        ABA   5  -1.459  -3.367  -3.355
   31    HA   ABA   5           HA       ABA   5   0.382  -3.131  -1.104
   32    HB3  ABA   5           1HB      ABA   5   1.527  -5.090  -2.159
   33    HB2  ABA   5           2HB      ABA   5   0.292  -5.094  -3.409
   34    HG1  ABA   5           3HG      ABA   5  -0.163  -6.788  -1.752
   35    HG3  ABA   5           1HG      ABA   5  -1.417  -5.549  -1.725
   36    HG2  ABA   5           2HG      ABA   5  -0.165  -5.570  -0.480
   37    H    VAL   6           H        VAL   6   1.378  -1.240  -1.466
   38    HA   VAL   6           HA       VAL   6   2.591  -0.867  -4.099
   39    HB   VAL   6           HB       VAL   6   1.072   0.953  -3.391
   40   HG11  VAL   6          1HG1      VAL   6   1.655   2.479  -1.566
   41   HG12  VAL   6          2HG1      VAL   6   2.973   1.401  -1.103
   42   HG13  VAL   6          3HG1      VAL   6   1.304   0.845  -0.997
   43   HG21  VAL   6          3HG2      VAL   6   2.586   2.853  -3.798
   44   HG22  VAL   6          1HG2      VAL   6   2.894   1.504  -4.890
   45   HG23  VAL   6          2HG2      VAL   6   3.967   1.789  -3.525
   46    H    CYS   7           H        CYS   7   4.788  -0.670  -4.282
   47    HA   CYS   7           HA       CYS   7   6.204  -1.230  -1.807
   48    HB2  CYS   7           2HB      CYS   7   7.158  -1.824  -4.612
   49    HB3  CYS   7           1HB      CYS   7   7.881  -2.380  -3.105
   50    H    ARG   8           H        ARG   8   7.908  -0.146  -1.174
   51    HA   ARG   8           HA       ARG   8   8.764   2.139  -2.736
   52    HB2  ARG   8           2HB      ARG   8   8.596   3.575  -0.697
   53    HB3  ARG   8           1HB      ARG   8   7.054   3.088  -1.373
   54    HG2  ARG   8           2HG      ARG   8   6.876   1.343   0.382
   55    HG3  ARG   8           1HG      ARG   8   8.383   1.938   1.079
   56    HD2  ARG   8           2HD      ARG   8   6.411   2.839   2.239
   57    HD3  ARG   8           1HD      ARG   8   7.366   4.113   1.481
   58    HE   ARG   8           HE       ARG   8   5.540   3.514  -0.407
   59   HH11  ARG   8          1HH1      ARG   8   5.187   4.369   3.029
   60   HH12  ARG   8          2HH1      ARG   8   3.713   5.168   2.826
   61   HH21  ARG   8          1HH2      ARG   8   3.481   4.587  -0.686
   62   HH22  ARG   8          2HH2      ARG   8   2.690   5.281   0.643
   63    H    ARG   9           H        ARG   9  10.854   2.202  -2.777
   64    HA   ARG   9           HA       ARG   9  13.047   1.828  -2.387
   65    HB2  ARG   9           2HB      ARG   9  12.526   3.226  -0.372
   66    HB3  ARG   9           1HB      ARG   9  12.237   1.761   0.541
   67    HG2  ARG   9           2HG      ARG   9  14.569   1.135   0.313
   68    HG3  ARG   9           1HG      ARG   9  14.880   2.560  -0.682
   69    HD2  ARG   9           2HD      ARG   9  14.242   3.997   1.162
   70    HD3  ARG   9           1HD      ARG   9  13.910   2.588   2.171
   71    HE   ARG   9           HE       ARG   9  16.482   2.251   1.419
   72   HH11  ARG   9          1HH1      ARG   9  14.726   4.886   2.966
   73   HH12  ARG   9          2HH1      ARG   9  16.063   5.512   3.803
   74   HH21  ARG   9          1HH2      ARG   9  18.350   3.065   2.607
   75   HH22  ARG   9          2HH2      ARG   9  18.182   4.428   3.604
   76    H    GLY  10           H        GLY  10  11.221  -0.330  -2.752
   77    HA2  GLY  10           2HA      GLY  10  11.684  -2.572  -3.217
   78    HA3  GLY  10           1HA      GLY  10  13.047  -2.497  -2.112
   79    H    VAL  11           H        VAL  11  10.497  -1.170  -0.448
   80    HA   VAL  11           HA       VAL  11   9.928  -3.749   0.821
   81    HB   VAL  11           HB       VAL  11   9.761  -0.931   1.964
   82   HG11  VAL  11          1HG1      VAL  11   9.258  -1.999   4.115
   83   HG12  VAL  11          2HG1      VAL  11   9.247  -3.577   3.332
   84   HG13  VAL  11          3HG1      VAL  11   8.018  -2.382   2.916
   85   HG21  VAL  11          3HG2      VAL  11  11.640  -3.205   2.576
   86   HG22  VAL  11          1HG2      VAL  11  11.581  -1.667   3.435
   87   HG23  VAL  11          2HG2      VAL  11  12.047  -1.713   1.731
   88    H    CYS  12           H        CYS  12   7.879  -4.459   0.738
   89    HA   CYS  12           HA       CYS  12   6.041  -2.686  -0.607
   90    HB2  CYS  12           2HB      CYS  12   5.821  -5.656  -0.211
   91    HB3  CYS  12           1HB      CYS  12   4.708  -4.658  -1.133
   92    H    ARG  13           H        ARG  13   4.323  -1.909   0.154
   93    HA   ARG  13           HA       ARG  13   3.646  -2.553   2.928
   94    HB2  ARG  13           2HB      ARG  13   4.796  -0.353   2.612
   95    HB3  ARG  13           1HB      ARG  13   3.490   0.141   1.554
   96    HG2  ARG  13           2HG      ARG  13   3.255   1.100   3.759
   97    HG3  ARG  13           1HG      ARG  13   1.920   0.011   3.387
   98    HD2  ARG  13           2HD      ARG  13   2.905  -1.734   4.719
   99    HD3  ARG  13           1HD      ARG  13   4.350  -0.767   5.008
  100    HE   ARG  13           HE       ARG  13   2.772   0.812   6.155
  101   HH11  ARG  13          1HH1      ARG  13   2.143  -2.688   6.049
  102   HH12  ARG  13          2HH1      ARG  13   1.276  -2.697   7.511
  103   HH21  ARG  13          1HH2      ARG  13   1.598   0.778   8.134
  104   HH22  ARG  13          2HH2      ARG  13   0.960  -0.675   8.749
  105    H    ABA  14           H        ABA  14   1.649  -3.261   3.164
  106    HA   ABA  14           HA       ABA  14  -0.250  -3.009   0.986
  107    HB3  ABA  14           1HB      ABA  14  -0.379  -4.652   3.526
  108    HB2  ABA  14           2HB      ABA  14   0.175  -5.251   1.967
  109    HG1  ABA  14           3HG      ABA  14  -2.047  -4.879   1.024
  110    HG3  ABA  14           1HG      ABA  14  -2.607  -4.279   2.586
  111    HG2  ABA  14           2HG      ABA  14  -2.105  -5.962   2.414
  112    H    VAL  15           H        VAL  15  -1.206  -1.122   1.078
  113    HA   VAL  15           HA       VAL  15  -2.236  -0.101   3.631
  114    HB   VAL  15           HB       VAL  15  -2.025   1.273   0.926
  115   HG11  VAL  15          1HG1      VAL  15  -2.505   3.342   2.143
  116   HG12  VAL  15          2HG1      VAL  15  -2.694   2.420   3.635
  117   HG13  VAL  15          3HG1      VAL  15  -3.824   2.178   2.298
  118   HG21  VAL  15          3HG2      VAL  15   0.198   0.856   1.843
  119   HG22  VAL  15          1HG2      VAL  15  -0.276   1.601   3.370
  120   HG23  VAL  15          2HG2      VAL  15  -0.178   2.575   1.899
  121    H    CYS  16           H        CYS  16  -4.382  -0.452   3.969
  122    HA   CYS  16           HA       CYS  16  -5.947  -1.091   1.594
  123    HB2  CYS  16           2HB      CYS  16  -6.496  -1.904   4.456
  124    HB3  CYS  16           1HB      CYS  16  -7.449  -2.366   3.050
  125    H    ARG  17           H        ARG  17  -7.668   0.082   1.082
  126    HA   ARG  17           HA       ARG  17  -8.369   2.132   3.037
  127    HB2  ARG  17           2HB      ARG  17  -9.020   3.638   1.194
  128    HB3  ARG  17           1HB      ARG  17  -7.330   3.195   1.083
  129    HG2  ARG  17           2HG      ARG  17  -7.801   1.684  -0.739
  130    HG3  ARG  17           1HG      ARG  17  -9.535   1.946  -0.552
  131    HD2  ARG  17           2HD      ARG  17  -8.777   3.265  -2.399
  132    HD3  ARG  17           1HD      ARG  17  -9.169   4.347  -1.065
  133    HE   ARG  17           HE       ARG  17  -6.399   3.522  -1.348
  134   HH11  ARG  17          1HH1      ARG  17  -8.788   6.124  -1.732
  135   HH12  ARG  17          2HH1      ARG  17  -7.629   7.304  -2.154
  136   HH21  ARG  17          1HH2      ARG  17  -4.848   5.136  -1.913
  137   HH22  ARG  17          2HH2      ARG  17  -5.305   6.732  -2.267
  138    H    ARG  18           H        ARG  18 -10.052   1.515   3.987
  139    HA   ARG  18           HA       ARG  18 -12.063   0.668   4.521
  140    HB2  ARG  18           2HB      ARG  18 -12.490   2.906   3.448
  141    HB3  ARG  18           1HB      ARG  18 -12.941   2.056   1.984
  142    HG2  ARG  18           2HG      ARG  18 -14.788   1.016   3.128
  143    HG3  ARG  18           1HG      ARG  18 -14.300   1.757   4.655
  144    HD2  ARG  18           2HD      ARG  18 -14.642   3.973   3.653
  145    HD3  ARG  18           1HD      ARG  18 -15.189   3.198   2.164
  146    HE   ARG  18           HE       ARG  18 -16.593   2.383   4.531
  147   HH11  ARG  18          1HH1      ARG  18 -16.528   4.722   1.881
  148   HH12  ARG  18          2HH1      ARG  18 -18.176   5.145   2.034
  149   HH21  ARG  18          1HH2      ARG  18 -18.813   2.936   4.732
  150   HH22  ARG  18          2HH2      ARG  18 -19.514   4.090   3.667
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1 -11.467  -0.757   2.623
    2    HA2  GLY   1           2HA      GLY   1 -12.118  -2.968   2.510
    3    HA3  GLY   1           1HA      GLY   1 -13.162  -2.569   1.162
    4    H    VAL   2           H        VAL   2 -10.139  -1.295   0.488
    5    HA   VAL   2           HA       VAL   2  -9.443  -3.752  -0.956
    6    HB   VAL   2           HB       VAL   2  -9.111  -0.899  -1.958
    7   HG11  VAL   2          1HG1      VAL   2  -8.426  -3.515  -3.307
    8   HG12  VAL   2          2HG1      VAL   2  -7.271  -2.331  -2.697
    9   HG13  VAL   2          3HG1      VAL   2  -8.323  -1.918  -4.053
   10   HG21  VAL   2          3HG2      VAL   2 -11.427  -1.668  -2.079
   11   HG22  VAL   2          1HG2      VAL   2 -10.910  -3.113  -2.946
   12   HG23  VAL   2          2HG2      VAL   2 -10.730  -1.527  -3.694
   13    H    CYS   3           H        CYS   3  -7.475  -4.496  -0.514
   14    HA   CYS   3           HA       CYS   3  -5.692  -2.679   0.848
   15    HB2  CYS   3           2HB      CYS   3  -5.587  -5.662   0.647
   16    HB3  CYS   3           1HB      CYS   3  -4.395  -4.684   1.477
   17    H    ARG   4           H        ARG   4  -4.124  -1.900  -0.036
   18    HA   ARG   4           HA       ARG   4  -3.225  -2.930  -2.672
   19    HB2  ARG   4           2HB      ARG   4  -4.486  -0.736  -2.695
   20    HB3  ARG   4           1HB      ARG   4  -3.210  -0.091  -1.677
   21    HG2  ARG   4           2HG      ARG   4  -2.789   0.680  -3.846
   22    HG3  ARG   4           1HG      ARG   4  -1.603  -0.562  -3.474
   23    HD2  ARG   4           2HD      ARG   4  -4.127  -1.087  -5.050
   24    HD3  ARG   4           1HD      ARG   4  -2.617  -0.619  -5.813
   25    HE   ARG   4           HE       ARG   4  -1.692  -2.705  -4.768
   26   HH11  ARG   4          1HH1      ARG   4  -5.158  -2.492  -5.561
   27   HH12  ARG   4          2HH1      ARG   4  -5.288  -4.146  -5.926
   28   HH21  ARG   4          1HH2      ARG   4  -1.924  -4.956  -5.264
   29   HH22  ARG   4          2HH2      ARG   4  -3.423  -5.577  -5.756
   30    H    ABA   5           H        ABA   5  -1.160  -3.713  -2.507
   31    HA   ABA   5           HA       ABA   5   0.537  -2.711  -0.404
   32    HB3  ABA   5           1HB      ABA   5   2.246  -4.273  -1.383
   33    HB2  ABA   5           2HB      ABA   5   1.047  -4.761  -2.577
   34    HG1  ABA   5           3HG      ABA   5   0.857  -5.126   0.402
   35    HG3  ABA   5           1HG      ABA   5   1.153  -6.382  -0.796
   36    HG2  ABA   5           2HG      ABA   5  -0.407  -5.555  -0.746
   37    H    VAL   6           H        VAL   6   1.634  -0.984  -0.581
   38    HA   VAL   6           HA       VAL   6   2.336  -0.007  -3.238
   39    HB   VAL   6           HB       VAL   6   2.779   2.194  -2.167
   40   HG11  VAL   6          1HG1      VAL   6   0.460   2.801  -1.652
   41   HG12  VAL   6          2HG1      VAL   6   0.050   1.088  -1.531
   42   HG13  VAL   6          3HG1      VAL   6   0.570   1.766  -3.075
   43   HG21  VAL   6          3HG2      VAL   6   3.400   1.442   0.083
   44   HG22  VAL   6          1HG2      VAL   6   1.748   0.899   0.367
   45   HG23  VAL   6          2HG2      VAL   6   2.089   2.619   0.165
   46    H    CYS   7           H        CYS   7   4.407   0.048  -3.855
   47    HA   CYS   7           HA       CYS   7   6.191  -1.076  -1.889
   48    HB2  CYS   7           2HB      CYS   7   6.536  -1.046  -4.899
   49    HB3  CYS   7           1HB      CYS   7   7.517  -1.940  -3.742
   50    H    ARG   8           H        ARG   8   7.696  -0.044  -1.042
   51    HA   ARG   8           HA       ARG   8   8.642   2.499  -2.168
   52    HB2  ARG   8           2HB      ARG   8   7.927   1.857   0.709
   53    HB3  ARG   8           1HB      ARG   8   8.714   3.335   0.183
   54    HG2  ARG   8           2HG      ARG   8   6.762   4.006  -1.048
   55    HG3  ARG   8           1HG      ARG   8   5.986   2.454  -0.742
   56    HD2  ARG   8           2HD      ARG   8   5.095   4.195   0.723
   57    HD3  ARG   8           1HD      ARG   8   5.921   2.943   1.642
   58    HE   ARG   8           HE       ARG   8   7.716   5.016   1.080
   59   HH11  ARG   8          1HH1      ARG   8   4.824   4.450   3.061
   60   HH12  ARG   8          2HH1      ARG   8   5.298   5.500   4.305
   61   HH21  ARG   8          1HH2      ARG   8   8.318   6.536   2.785
   62   HH22  ARG   8          2HH2      ARG   8   7.286   6.739   4.125
   63    H    ARG   9           H        ARG   9  10.765   2.394  -2.433
   64    HA   ARG   9           HA       ARG   9  12.931   1.808  -2.327
   65    HB2  ARG   9           2HB      ARG   9  12.591   2.516   0.119
   66    HB3  ARG   9           1HB      ARG   9  12.397   0.813   0.483
   67    HG2  ARG   9           2HG      ARG   9  14.693   0.420  -0.388
   68    HG3  ARG   9           1HG      ARG   9  14.876   2.167  -0.560
   69    HD2  ARG   9           2HD      ARG   9  14.339   0.653   1.987
   70    HD3  ARG   9           1HD      ARG   9  15.846   1.442   1.521
   71    HE   ARG   9           HE       ARG   9  13.994   3.417   1.429
   72   HH11  ARG   9          1HH1      ARG   9  15.078   1.189   3.945
   73   HH12  ARG   9          2HH1      ARG   9  14.667   2.209   5.244
   74   HH21  ARG   9          1HH2      ARG   9  13.447   4.831   3.194
   75   HH22  ARG   9          2HH2      ARG   9  13.732   4.331   4.806
   76    H    GLY  10           H        GLY  10  10.909   0.003  -3.188
   77    HA2  GLY  10           2HA      GLY  10  10.944  -2.096  -4.185
   78    HA3  GLY  10           1HA      GLY  10  12.513  -2.366  -3.440
   79    H    VAL  11           H        VAL  11  10.242  -1.378  -1.139
   80    HA   VAL  11           HA       VAL  11   9.803  -4.153  -0.298
   81    HB   VAL  11           HB       VAL  11   9.820  -1.619   1.378
   82   HG11  VAL  11          1HG1      VAL  11   9.825  -3.129   3.311
   83   HG12  VAL  11          2HG1      VAL  11   9.699  -4.512   2.220
   84   HG13  VAL  11          3HG1      VAL  11   8.386  -3.340   2.314
   85   HG21  VAL  11          3HG2      VAL  11  12.058  -2.114   0.567
   86   HG22  VAL  11          1HG2      VAL  11  11.930  -3.764   1.178
   87   HG23  VAL  11          2HG2      VAL  11  11.950  -2.397   2.303
   88    H    CYS  12           H        CYS  12   7.674  -4.749  -0.132
   89    HA   CYS  12           HA       CYS  12   5.817  -2.642  -0.860
   90    HB2  CYS  12           2HB      CYS  12   5.439  -5.584  -1.056
   91    HB3  CYS  12           1HB      CYS  12   4.335  -4.359  -1.668
   92    H    ARG  13           H        ARG  13   4.668  -1.838   0.412
   93    HA   ARG  13           HA       ARG  13   4.051  -3.091   3.022
   94    HB2  ARG  13           2HB      ARG  13   5.332  -1.019   3.168
   95    HB3  ARG  13           1HB      ARG  13   4.167  -0.195   2.157
   96    HG2  ARG  13           2HG      ARG  13   3.977   0.451   4.470
   97    HG3  ARG  13           1HG      ARG  13   2.503  -0.340   3.902
   98    HD2  ARG  13           2HD      ARG  13   3.173  -2.387   5.036
   99    HD3  ARG  13           1HD      ARG  13   4.693  -1.634   5.533
  100    HE   ARG  13           HE       ARG  13   3.188   0.025   6.711
  101   HH11  ARG  13          1HH1      ARG  13   2.225  -3.369   6.307
  102   HH12  ARG  13          2HH1      ARG  13   1.290  -3.404   7.721
  103   HH21  ARG  13          1HH2      ARG  13   1.907  -0.038   8.620
  104   HH22  ARG  13          2HH2      ARG  13   1.107  -1.477   9.079
  105    H    ABA  14           H        ABA  14   1.977  -3.600   3.478
  106    HA   ABA  14           HA       ABA  14  -0.045  -3.146   1.487
  107    HB3  ABA  14           1HB      ABA  14  -0.195  -4.554   4.164
  108    HB2  ABA  14           2HB      ABA  14   0.172  -5.330   2.632
  109    HG1  ABA  14           3HG      ABA  14  -2.053  -4.751   1.800
  110    HG3  ABA  14           1HG      ABA  14  -2.423  -3.981   3.343
  111    HG2  ABA  14           2HG      ABA  14  -2.132  -5.721   3.273
  112    H    VAL  15           H        VAL  15  -1.379  -1.484   1.452
  113    HA   VAL  15           HA       VAL  15  -2.110  -0.192   3.979
  114    HB   VAL  15           HB       VAL  15  -1.933   1.131   1.242
  115   HG11  VAL  15          1HG1      VAL  15  -2.310   3.226   2.465
  116   HG12  VAL  15          2HG1      VAL  15  -2.486   2.315   3.961
  117   HG13  VAL  15          3HG1      VAL  15  -3.654   2.100   2.656
  118   HG21  VAL  15          3HG2      VAL  15   0.306   0.655   2.110
  119   HG22  VAL  15          1HG2      VAL  15  -0.092   1.470   3.621
  120   HG23  VAL  15          2HG2      VAL  15  -0.013   2.388   2.115
  121    H    CYS  16           H        CYS  16  -4.219  -0.454   4.379
  122    HA   CYS  16           HA       CYS  16  -5.871  -1.304   2.149
  123    HB2  CYS  16           2HB      CYS  16  -6.332  -1.711   5.114
  124    HB3  CYS  16           1HB      CYS  16  -7.376  -2.310   3.831
  125    H    ARG  17           H        ARG  17  -7.666  -0.245   1.550
  126    HA   ARG  17           HA       ARG  17  -8.725   1.875   3.178
  127    HB2  ARG  17           2HB      ARG  17  -8.473   3.565   1.321
  128    HB3  ARG  17           1HB      ARG  17  -6.993   3.129   2.160
  129    HG2  ARG  17           2HG      ARG  17  -6.382   1.642   0.312
  130    HG3  ARG  17           1HG      ARG  17  -7.868   2.082  -0.527
  131    HD2  ARG  17           2HD      ARG  17  -5.885   3.295  -1.342
  132    HD3  ARG  17           1HD      ARG  17  -7.141   4.364  -0.721
  133    HE   ARG  17           HE       ARG  17  -5.738   4.361   1.388
  134   HH11  ARG  17          1HH1      ARG  17  -4.229   3.996  -1.817
  135   HH12  ARG  17          2HH1      ARG  17  -2.766   4.732  -1.309
  136   HH21  ARG  17          1HH2      ARG  17  -3.776   5.370   1.992
  137   HH22  ARG  17          2HH2      ARG  17  -2.484   5.497   0.875
  138    H    ARG  18           H        ARG  18 -10.830   1.902   2.971
  139    HA   ARG  18           HA       ARG  18 -12.935   1.517   2.314
  140    HB2  ARG  18           2HB      ARG  18 -12.297   3.375   0.770
  141    HB3  ARG  18           1HB      ARG  18 -11.871   2.191  -0.447
  142    HG2  ARG  18           2HG      ARG  18 -14.203   1.452  -0.561
  143    HG3  ARG  18           1HG      ARG  18 -14.634   2.604   0.698
  144    HD2  ARG  18           2HD      ARG  18 -13.456   3.340  -1.980
  145    HD3  ARG  18           1HD      ARG  18 -15.172   3.409  -1.593
  146    HE   ARG  18           HE       ARG  18 -13.637   4.877   0.279
  147   HH11  ARG  18          1HH1      ARG  18 -14.815   5.124  -3.041
  148   HH12  ARG  18          2HH1      ARG  18 -14.975   6.819  -2.995
  149   HH21  ARG  18          1HH2      ARG  18 -13.794   7.149   0.317
  150   HH22  ARG  18          2HH2      ARG  18 -14.371   8.009  -1.040
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1 -11.096  -0.758   3.307
    2    HA2  GLY   1           2HA      GLY   1 -11.834  -2.935   2.910
    3    HA3  GLY   1           1HA      GLY   1 -13.051  -2.289   1.833
    4    H    VAL   2           H        VAL   2 -10.248  -0.851   0.877
    5    HA   VAL   2           HA       VAL   2  -9.823  -2.960  -1.120
    6    HB   VAL   2           HB       VAL   2  -9.363   0.028  -1.428
    7   HG11  VAL   2          1HG1      VAL   2  -9.184  -2.184  -3.474
    8   HG12  VAL   2          2HG1      VAL   2  -7.831  -1.287  -2.790
    9   HG13  VAL   2          3HG1      VAL   2  -9.010  -0.460  -3.807
   10   HG21  VAL   2          3HG2      VAL   2 -11.559  -1.695  -2.584
   11   HG22  VAL   2          1HG2      VAL   2 -11.283   0.006  -2.962
   12   HG23  VAL   2          2HG2      VAL   2 -11.750  -0.472  -1.329
   13    H    CYS   3           H        CYS   3  -7.917  -3.939  -0.904
   14    HA   CYS   3           HA       CYS   3  -5.828  -2.510   0.505
   15    HB2  CYS   3           2HB      CYS   3  -5.988  -5.402  -0.249
   16    HB3  CYS   3           1HB      CYS   3  -4.682  -4.663   0.657
   17    H    ARG   4           H        ARG   4  -4.295  -1.692  -0.335
   18    HA   ARG   4           HA       ARG   4  -3.751  -2.216  -3.198
   19    HB2  ARG   4           2HB      ARG   4  -4.470   0.135  -2.463
   20    HB3  ARG   4           1HB      ARG   4  -2.946   0.209  -1.593
   21    HG2  ARG   4           2HG      ARG   4  -2.627   1.363  -3.614
   22    HG3  ARG   4           1HG      ARG   4  -1.770  -0.178  -3.701
   23    HD2  ARG   4           2HD      ARG   4  -2.916   0.266  -5.808
   24    HD3  ARG   4           1HD      ARG   4  -3.639  -1.129  -5.011
   25    HE   ARG   4           HE       ARG   4  -5.035   1.173  -4.236
   26   HH11  ARG   4          1HH1      ARG   4  -4.656  -0.857  -7.136
   27   HH12  ARG   4          2HH1      ARG   4  -6.154  -0.373  -7.792
   28   HH21  ARG   4          1HH2      ARG   4  -7.052   1.786  -5.175
   29   HH22  ARG   4          2HH2      ARG   4  -7.538   1.172  -6.682
   30    H    ABA   5           H        ABA   5  -1.940  -3.365  -3.503
   31    HA   ABA   5           HA       ABA   5   0.138  -3.315  -1.447
   32    HB3  ABA   5           1HB      ABA   5  -0.236  -5.246  -3.756
   33    HB2  ABA   5           2HB      ABA   5  -0.737  -5.548  -2.099
   34    HG1  ABA   5           3HG      ABA   5   1.600  -5.433  -1.376
   35    HG3  ABA   5           1HG      ABA   5   2.095  -5.166  -3.044
   36    HG2  ABA   5           2HG      ABA   5   1.341  -6.691  -2.584
   37    H    VAL   6           H        VAL   6   1.711  -1.968  -1.772
   38    HA   VAL   6           HA       VAL   6   2.701  -1.527  -4.484
   39    HB   VAL   6           HB       VAL   6   3.181   0.828  -3.835
   40   HG11  VAL   6          1HG1      VAL   6   0.891   1.679  -4.109
   41   HG12  VAL   6          2HG1      VAL   6   0.270   0.066  -3.755
   42   HG13  VAL   6          3HG1      VAL   6   1.233   0.339  -5.206
   43   HG21  VAL   6          3HG2      VAL   6   1.404   0.235  -1.467
   44   HG22  VAL   6          1HG2      VAL   6   1.981   1.836  -1.929
   45   HG23  VAL   6          2HG2      VAL   6   3.125   0.600  -1.405
   46    H    CYS   7           H        CYS   7   4.941  -0.564  -4.360
   47    HA   CYS   7           HA       CYS   7   6.250  -1.360  -1.914
   48    HB2  CYS   7           2HB      CYS   7   7.266  -1.971  -4.703
   49    HB3  CYS   7           1HB      CYS   7   8.159  -2.270  -3.211
   50    H    ARG   8           H        ARG   8   7.881  -0.033  -1.258
   51    HA   ARG   8           HA       ARG   8   8.491   2.176  -3.023
   52    HB2  ARG   8           2HB      ARG   8   8.058   3.817  -1.256
   53    HB3  ARG   8           1HB      ARG   8   6.605   2.951  -1.703
   54    HG2  ARG   8           2HG      ARG   8   7.008   1.504   0.347
   55    HG3  ARG   8           1HG      ARG   8   8.239   2.682   0.808
   56    HD2  ARG   8           2HD      ARG   8   5.282   3.125   0.450
   57    HD3  ARG   8           1HD      ARG   8   6.246   3.308   1.918
   58    HE   ARG   8           HE       ARG   8   7.345   5.051   0.144
   59   HH11  ARG   8          1HH1      ARG   8   4.167   4.683   1.642
   60   HH12  ARG   8          2HH1      ARG   8   3.697   6.301   1.340
   61   HH21  ARG   8          1HH2      ARG   8   6.700   7.217  -0.255
   62   HH22  ARG   8          2HH2      ARG   8   5.165   7.770   0.261
   63    H    ARG   9           H        ARG   9  10.537   2.032  -3.273
   64    HA   ARG   9           HA       ARG   9  12.739   1.850  -2.949
   65    HB2  ARG   9           2HB      ARG   9  12.338   3.933  -1.670
   66    HB3  ARG   9           1HB      ARG   9  12.056   2.985  -0.221
   67    HG2  ARG   9           2HG      ARG   9  14.344   2.399  -0.052
   68    HG3  ARG   9           1HG      ARG   9  14.676   2.954  -1.693
   69    HD2  ARG   9           2HD      ARG   9  13.768   4.754   0.553
   70    HD3  ARG   9           1HD      ARG   9  15.453   4.535   0.072
   71    HE   ARG   9           HE       ARG   9  14.398   5.170  -2.239
   72   HH11  ARG   9          1HH1      ARG   9  13.906   6.778   0.875
   73   HH12  ARG   9          2HH1      ARG   9  13.576   8.292   0.176
   74   HH21  ARG   9          1HH2      ARG   9  13.949   7.156  -3.161
   75   HH22  ARG   9          2HH2      ARG   9  13.631   8.546  -2.216
   76    H    GLY  10           H        GLY  10  11.348  -0.428  -2.660
   77    HA2  GLY  10           2HA      GLY  10  12.148  -2.595  -2.344
   78    HA3  GLY  10           1HA      GLY  10  13.264  -1.980  -1.127
   79    H    VAL  11           H        VAL  11  10.526  -0.578  -0.215
   80    HA   VAL  11           HA       VAL  11   9.974  -2.782   1.623
   81    HB   VAL  11           HB       VAL  11   9.151   0.128   1.862
   82   HG11  VAL  11          1HG1      VAL  11   8.689  -0.445   4.212
   83   HG12  VAL  11          2HG1      VAL  11   9.079  -2.128   3.865
   84   HG13  VAL  11          3HG1      VAL  11   7.685  -1.371   3.093
   85   HG21  VAL  11          3HG2      VAL  11  11.579  -0.079   1.979
   86   HG22  VAL  11          1HG2      VAL  11  11.421  -1.323   3.219
   87   HG23  VAL  11          2HG2      VAL  11  10.910   0.327   3.560
   88    H    CYS  12           H        CYS  12   8.362  -3.993   0.946
   89    HA   CYS  12           HA       CYS  12   6.287  -2.744  -0.594
   90    HB2  CYS  12           2HB      CYS  12   6.769  -5.645   0.007
   91    HB3  CYS  12           1HB      CYS  12   5.453  -5.039  -0.981
   92    H    ARG  13           H        ARG  13   4.405  -2.337   0.034
   93    HA   ARG  13           HA       ARG  13   3.587  -3.147   2.752
   94    HB2  ARG  13           2HB      ARG  13   4.510  -0.813   2.695
   95    HB3  ARG  13           1HB      ARG  13   3.254  -0.409   1.535
   96    HG2  ARG  13           2HG      ARG  13   2.573   0.379   3.644
   97    HG3  ARG  13           1HG      ARG  13   1.566  -0.999   3.205
   98    HD2  ARG  13           2HD      ARG  13   2.911  -2.449   4.635
   99    HD3  ARG  13           1HD      ARG  13   3.945  -1.099   5.063
  100    HE   ARG  13           HE       ARG  13   1.096  -1.324   5.786
  101   HH11  ARG  13          1HH1      ARG  13   4.245   0.086   6.384
  102   HH12  ARG  13          2HH1      ARG  13   3.986   0.410   8.033
  103   HH21  ARG  13          1HH2      ARG  13   0.651  -0.813   8.011
  104   HH22  ARG  13          2HH2      ARG  13   1.856  -0.118   9.000
  105    H    ABA  14           H        ABA  14   1.464  -3.733   2.903
  106    HA   ABA  14           HA       ABA  14  -0.217  -3.303   0.546
  107    HB3  ABA  14           1HB      ABA  14  -0.468  -5.436   2.697
  108    HB2  ABA  14           2HB      ABA  14   0.215  -5.703   1.098
  109    HG1  ABA  14           3HG      ABA  14  -2.064  -6.520   1.204
  110    HG3  ABA  14           1HG      ABA  14  -1.943  -5.164   0.082
  111    HG2  ABA  14           2HG      ABA  14  -2.630  -4.921   1.690
  112    H    VAL  15           H        VAL  15  -1.032  -1.391   1.026
  113    HA   VAL  15           HA       VAL  15  -1.952  -0.744   3.716
  114    HB   VAL  15           HB       VAL  15  -2.063   0.960   1.208
  115   HG11  VAL  15          1HG1      VAL  15  -2.261   1.696   4.117
  116   HG12  VAL  15          2HG1      VAL  15  -3.563   1.725   2.929
  117   HG13  VAL  15          3HG1      VAL  15  -2.203   2.839   2.777
  118   HG21  VAL  15          3HG2      VAL  15   0.075   0.915   3.337
  119   HG22  VAL  15          1HG2      VAL  15  -0.033   2.076   2.012
  120   HG23  VAL  15          2HG2      VAL  15   0.254   0.365   1.673
  121    H    CYS  16           H        CYS  16  -4.040  -1.078   4.275
  122    HA   CYS  16           HA       CYS  16  -5.873  -1.470   2.085
  123    HB2  CYS  16           2HB      CYS  16  -6.123  -2.372   4.970
  124    HB3  CYS  16           1HB      CYS  16  -7.329  -2.654   3.719
  125    H    ARG  17           H        ARG  17  -7.599  -0.196   1.779
  126    HA   ARG  17           HA       ARG  17  -8.248   1.783   3.776
  127    HB2  ARG  17           2HB      ARG  17  -8.038   3.595   2.021
  128    HB3  ARG  17           1HB      ARG  17  -6.530   2.946   2.637
  129    HG2  ARG  17           2HG      ARG  17  -6.354   1.515   0.627
  130    HG3  ARG  17           1HG      ARG  17  -7.811   2.272  -0.011
  131    HD2  ARG  17           2HD      ARG  17  -5.258   3.684   0.708
  132    HD3  ARG  17           1HD      ARG  17  -5.756   3.271  -0.930
  133    HE   ARG  17           HE       ARG  17  -7.810   4.727   0.112
  134   HH11  ARG  17          1HH1      ARG  17  -4.374   5.314  -0.387
  135   HH12  ARG  17          2HH1      ARG  17  -4.527   6.994  -0.636
  136   HH21  ARG  17          1HH2      ARG  17  -8.049   7.018  -0.212
  137   HH22  ARG  17          2HH2      ARG  17  -6.709   7.999  -0.557
  138    H    ARG  18           H        ARG  18 -10.328   1.732   3.967
  139    HA   ARG  18           HA       ARG  18 -12.540   1.568   3.615
  140    HB2  ARG  18           2HB      ARG  18 -12.000   3.601   2.240
  141    HB3  ARG  18           1HB      ARG  18 -11.897   2.577   0.831
  142    HG2  ARG  18           2HG      ARG  18 -14.424   2.156   2.104
  143    HG3  ARG  18           1HG      ARG  18 -14.171   3.885   1.867
  144    HD2  ARG  18           2HD      ARG  18 -13.967   1.734  -0.233
  145    HD3  ARG  18           1HD      ARG  18 -15.271   2.906  -0.084
  146    HE   ARG  18           HE       ARG  18 -13.185   4.517  -0.298
  147   HH11  ARG  18          1HH1      ARG  18 -14.091   1.705  -2.268
  148   HH12  ARG  18          2HH1      ARG  18 -13.227   2.251  -3.636
  149   HH21  ARG  18          1HH2      ARG  18 -12.062   5.245  -2.206
  150   HH22  ARG  18          2HH2      ARG  18 -12.090   4.273  -3.603
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1 -11.217  -0.344   2.506
    2    HA2  GLY   1           2HA      GLY   1 -11.754  -2.583   2.804
    3    HA3  GLY   1           1HA      GLY   1 -13.003  -2.418   1.580
    4    H    VAL   2           H        VAL   2 -10.101  -1.200   0.393
    5    HA   VAL   2           HA       VAL   2  -9.554  -3.763  -0.932
    6    HB   VAL   2           HB       VAL   2  -9.117  -0.966  -2.040
    7   HG11  VAL   2          1HG1      VAL   2  -8.615  -2.092  -4.161
    8   HG12  VAL   2          2HG1      VAL   2  -8.788  -3.658  -3.366
    9   HG13  VAL   2          3HG1      VAL   2  -7.486  -2.566  -2.889
   10   HG21  VAL   2          3HG2      VAL   2 -10.917  -1.501  -3.626
   11   HG22  VAL   2          1HG2      VAL   2 -11.493  -1.474  -1.959
   12   HG23  VAL   2          2HG2      VAL   2 -11.209  -3.013  -2.767
   13    H    CYS   3           H        CYS   3  -7.530  -4.515  -0.681
   14    HA   CYS   3           HA       CYS   3  -5.743  -2.763   0.744
   15    HB2  CYS   3           2HB      CYS   3  -5.609  -5.742   0.397
   16    HB3  CYS   3           1HB      CYS   3  -4.472  -4.778   1.328
   17    H    ARG   4           H        ARG   4  -4.017  -2.027   0.032
   18    HA   ARG   4           HA       ARG   4  -3.132  -2.733  -2.683
   19    HB2  ARG   4           2HB      ARG   4  -4.177  -0.520  -2.633
   20    HB3  ARG   4           1HB      ARG   4  -3.181  -0.065  -1.267
   21    HG2  ARG   4           2HG      ARG   4  -2.353   0.992  -3.252
   22    HG3  ARG   4           1HG      ARG   4  -1.197  -0.193  -2.658
   23    HD2  ARG   4           2HD      ARG   4  -2.001  -1.792  -4.341
   24    HD3  ARG   4           1HD      ARG   4  -3.118  -0.568  -4.947
   25    HE   ARG   4           HE       ARG   4  -0.527   0.480  -4.936
   26   HH11  ARG   4          1HH1      ARG   4  -2.422  -1.933  -6.681
   27   HH12  ARG   4          2HH1      ARG   4  -1.534  -1.797  -8.122
   28   HH21  ARG   4          1HH2      ARG   4   0.724   0.638  -6.917
   29   HH22  ARG   4          2HH2      ARG   4   0.309  -0.312  -8.261
   30    H    ABA   5           H        ABA   5  -1.076  -3.363  -2.855
   31    HA   ABA   5           HA       ABA   5   0.653  -3.112  -0.535
   32    HB3  ABA   5           1HB      ABA   5   2.139  -4.646  -1.815
   33    HB2  ABA   5           2HB      ABA   5   0.998  -4.612  -3.150
   34    HG1  ABA   5           3HG      ABA   5  -0.699  -5.651  -1.732
   35    HG3  ABA   5           1HG      ABA   5   0.453  -5.704  -0.401
   36    HG2  ABA   5           2HG      ABA   5   0.750  -6.645  -1.865
   37    H    VAL   6           H        VAL   6   1.423  -1.087  -0.513
   38    HA   VAL   6           HA       VAL   6   2.265   0.104  -3.020
   39    HB   VAL   6           HB       VAL   6   2.641   2.216  -1.734
   40   HG11  VAL   6          1HG1      VAL   6  -0.084   1.007  -1.371
   41   HG12  VAL   6          2HG1      VAL   6   0.504   1.820  -2.820
   42   HG13  VAL   6          3HG1      VAL   6   0.292   2.725  -1.319
   43   HG21  VAL   6          3HG2      VAL   6   3.132   1.287   0.467
   44   HG22  VAL   6          1HG2      VAL   6   1.483   0.676   0.598
   45   HG23  VAL   6          2HG2      VAL   6   1.779   2.414   0.557
   46    H    CYS   7           H        CYS   7   4.294   0.109  -3.671
   47    HA   CYS   7           HA       CYS   7   6.178  -0.872  -1.739
   48    HB2  CYS   7           2HB      CYS   7   6.130  -1.002  -4.703
   49    HB3  CYS   7           1HB      CYS   7   7.701  -0.864  -3.940
   50    H    ARG   8           H        ARG   8   7.845   0.024  -1.063
   51    HA   ARG   8           HA       ARG   8   8.669   2.589  -2.125
   52    HB2  ARG   8           2HB      ARG   8   8.921   3.443   0.193
   53    HB3  ARG   8           1HB      ARG   8   7.251   3.130  -0.237
   54    HG2  ARG   8           2HG      ARG   8   7.443   0.953   0.999
   55    HG3  ARG   8           1HG      ARG   8   9.024   1.500   1.564
   56    HD2  ARG   8           2HD      ARG   8   7.395   2.016   3.232
   57    HD3  ARG   8           1HD      ARG   8   7.929   3.524   2.500
   58    HE   ARG   8           HE       ARG   8   5.383   2.164   1.889
   59   HH11  ARG   8          1HH1      ARG   8   7.248   5.167   2.132
   60   HH12  ARG   8          2HH1      ARG   8   5.917   6.196   1.962
   61   HH21  ARG   8          1HH2      ARG   8   3.495   3.607   1.670
   62   HH22  ARG   8          2HH2      ARG   8   3.726   5.281   1.693
   63    H    ARG   9           H        ARG   9  10.673   2.420  -2.681
   64    HA   ARG   9           HA       ARG   9  12.763   1.683  -2.986
   65    HB2  ARG   9           2HB      ARG   9  13.023   2.838  -0.798
   66    HB3  ARG   9           1HB      ARG   9  12.712   1.327   0.028
   67    HG2  ARG   9           2HG      ARG   9  15.084   1.891   0.055
   68    HG3  ARG   9           1HG      ARG   9  14.806   0.413  -0.857
   69    HD2  ARG   9           2HD      ARG   9  15.048   3.108  -2.183
   70    HD3  ARG   9           1HD      ARG   9  16.451   2.108  -1.833
   71    HE   ARG   9           HE       ARG   9  14.947   0.406  -3.197
   72   HH11  ARG   9          1HH1      ARG   9  15.768   3.778  -3.906
   73   HH12  ARG   9          2HH1      ARG   9  15.762   3.586  -5.589
   74   HH21  ARG   9          1HH2      ARG   9  14.962   0.134  -5.555
   75   HH22  ARG   9          2HH2      ARG   9  15.353   1.451  -6.542
   76    H    GLY  10           H        GLY  10  10.815  -0.173  -3.457
   77    HA2  GLY  10           2HA      GLY  10  10.926  -2.325  -4.302
   78    HA3  GLY  10           1HA      GLY  10  12.443  -2.551  -3.449
   79    H    VAL  11           H        VAL  11  10.308  -1.382  -1.223
   80    HA   VAL  11           HA       VAL  11   9.614  -4.115  -0.390
   81    HB   VAL  11           HB       VAL  11  10.035  -1.667   1.365
   82   HG11  VAL  11          1HG1      VAL  11   8.364  -3.176   2.308
   83   HG12  VAL  11          2HG1      VAL  11   9.851  -3.226   3.255
   84   HG13  VAL  11          3HG1      VAL  11   9.477  -4.533   2.132
   85   HG21  VAL  11          3HG2      VAL  11  12.024  -2.854   2.199
   86   HG22  VAL  11          1HG2      VAL  11  12.145  -2.503   0.475
   87   HG23  VAL  11          2HG2      VAL  11  11.744  -4.133   1.016
   88    H    CYS  12           H        CYS  12   7.504  -4.565  -0.524
   89    HA   CYS  12           HA       CYS  12   5.685  -2.349  -0.674
   90    HB2  CYS  12           2HB      CYS  12   5.408  -5.185  -1.397
   91    HB3  CYS  12           1HB      CYS  12   3.951  -4.316  -0.959
   92    H    ARG  13           H        ARG  13   4.454  -1.688   0.503
   93    HA   ARG  13           HA       ARG  13   4.073  -2.902   3.170
   94    HB2  ARG  13           2HB      ARG  13   4.992  -0.503   2.926
   95    HB3  ARG  13           1HB      ARG  13   3.374  -0.071   2.391
   96    HG2  ARG  13           2HG      ARG  13   3.602   0.470   4.708
   97    HG3  ARG  13           1HG      ARG  13   2.466  -0.869   4.509
   98    HD2  ARG  13           2HD      ARG  13   4.012  -1.246   6.389
   99    HD3  ARG  13           1HD      ARG  13   4.210  -2.466   5.131
  100    HE   ARG  13           HE       ARG  13   5.959  -0.117   5.334
  101   HH11  ARG  13          1HH1      ARG  13   5.626  -3.649   5.057
  102   HH12  ARG  13          2HH1      ARG  13   7.281  -3.941   4.894
  103   HH21  ARG  13          1HH2      ARG  13   8.218  -0.499   5.096
  104   HH22  ARG  13          2HH2      ARG  13   8.844  -2.064   4.927
  105    H    ABA  14           H        ABA  14   2.072  -3.702   3.624
  106    HA   ABA  14           HA       ABA  14  -0.007  -3.402   1.631
  107    HB3  ABA  14           1HB      ABA  14   0.083  -5.077   4.155
  108    HB2  ABA  14           2HB      ABA  14   0.481  -5.642   2.537
  109    HG1  ABA  14           3HG      ABA  14  -1.824  -5.267   1.828
  110    HG3  ABA  14           1HG      ABA  14  -2.230  -4.700   3.448
  111    HG2  ABA  14           2HG      ABA  14  -1.734  -6.373   3.198
  112    H    VAL  15           H        VAL  15  -1.284  -1.712   1.749
  113    HA   VAL  15           HA       VAL  15  -2.252  -0.862   4.376
  114    HB   VAL  15           HB       VAL  15  -0.711   0.839   3.425
  115   HG11  VAL  15          1HG1      VAL  15  -1.264   2.090   1.394
  116   HG12  VAL  15          2HG1      VAL  15  -2.609   0.994   1.096
  117   HG13  VAL  15          3HG1      VAL  15  -0.955   0.384   1.063
  118   HG21  VAL  15          3HG2      VAL  15  -3.599   1.716   3.429
  119   HG22  VAL  15          1HG2      VAL  15  -2.212   2.805   3.510
  120   HG23  VAL  15          2HG2      VAL  15  -2.506   1.649   4.811
  121    H    CYS  16           H        CYS  16  -4.491  -0.594   4.506
  122    HA   CYS  16           HA       CYS  16  -5.862  -1.352   2.050
  123    HB2  CYS  16           2HB      CYS  16  -6.768  -1.916   4.886
  124    HB3  CYS  16           1HB      CYS  16  -7.588  -2.429   3.419
  125    H    ARG  17           H        ARG  17  -7.579  -0.217   1.359
  126    HA   ARG  17           HA       ARG  17  -8.637   1.908   2.993
  127    HB2  ARG  17           2HB      ARG  17  -8.212   3.624   1.236
  128    HB3  ARG  17           1HB      ARG  17  -6.742   3.043   2.006
  129    HG2  ARG  17           2HG      ARG  17  -6.321   1.585   0.079
  130    HG3  ARG  17           1HG      ARG  17  -7.783   2.197  -0.692
  131    HD2  ARG  17           2HD      ARG  17  -5.810   3.323  -1.559
  132    HD3  ARG  17           1HD      ARG  17  -6.842   4.446  -0.690
  133    HE   ARG  17           HE       ARG  17  -5.282   4.166   1.217
  134   HH11  ARG  17          1HH1      ARG  17  -4.079   3.435  -2.030
  135   HH12  ARG  17          2HH1      ARG  17  -2.494   3.954  -1.686
  136   HH21  ARG  17          1HH2      ARG  17  -3.157   4.844   1.656
  137   HH22  ARG  17          2HH2      ARG  17  -1.939   4.793   0.472
  138    H    ARG  18           H        ARG  18 -10.722   2.150   2.598
  139    HA   ARG  18           HA       ARG  18 -12.789   1.926   1.755
  140    HB2  ARG  18           2HB      ARG  18 -11.800   3.276  -0.118
  141    HB3  ARG  18           1HB      ARG  18 -11.398   1.786  -0.942
  142    HG2  ARG  18           2HG      ARG  18 -13.771   1.273  -1.190
  143    HG3  ARG  18           1HG      ARG  18 -14.185   2.754  -0.327
  144    HD2  ARG  18           2HD      ARG  18 -14.356   3.097  -2.725
  145    HD3  ARG  18           1HD      ARG  18 -13.039   4.062  -2.053
  146    HE   ARG  18           HE       ARG  18 -12.471   1.460  -3.254
  147   HH11  ARG  18          1HH1      ARG  18 -12.148   4.985  -3.447
  148   HH12  ARG  18          2HH1      ARG  18 -10.939   4.962  -4.634
  149   HH21  ARG  18          1HH2      ARG  18 -10.808   1.426  -4.887
  150   HH22  ARG  18          2HH2      ARG  18 -10.138   2.871  -5.468


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