*HEADER    METAL BINDING PROTEIN                   05-APR-17   5XEK              
*TITLE     C-TERMINAL ZINC FINGER OF RING FINGER PROTEIN 141                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RING FINGER PROTEIN 141;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 152-193;                                      
*COMPND   5 SYNONYM: ZINC FINGER PROTEIN 230;                                    
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    RING FINGER PROTEIN 141, ZINC FINGER, METAL BINDING PROTEIN           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.MIYAMOTO                                                            
*REVDAT   1   02-MAY-18 5XEK    0                                                
# Restraints file 1: data_protein141_de.upl
 4 CYSS HA      5 CYS  HN       3.66   
 15 ILE  HA     22 PHE  HN      4.84     
 26 CYSS HA     29 LYS  HN      3.45   
 23 CYSS HA     24 GLN  HN      3.84       
 25 LYS  HA     28 ASP  HN      4.82  
 15 ILE  HA     21 SER  HB2     4.27         
 6 ILE  HA      6 ILE  HG13     3.72          
 8 MET  HA      8 MET  HG2      3.78          
 33 ARG  HA     33 ARG  HG2     4.72                 
 2 GLU  HA      3 GLU  HN       2.87  
 25 LYS  HA     25 LYS  QD      4.72            
 15 ILE  HA     15 ILE  HG12    4.11         
 3 GLU  HA     11 ARG  HA       3.23            
 12 ALA  HA     23 CYSS HA      3.64            
 11 ARG  HA     12 ALA  QB      4.23            
 24 GLN  HA     27 ILE  HN      4.78         
 17 PRO  HA     19 ALA  HN      4.81          
 8 MET  HA      8 MET  HG3      4.73          
  1 GLU  HA      1 GLU  QG      3.21           
 20 HIST HA     21 SER  HN      2.14            
 24 GLN  HA     24 GLN  HE22    4.81           
 15 ILE  HA     16 LEU  HN      2.34          
 26 CYSS HA     30 TRP  HN      4.89           
 11 ARG  HA     11 ARG  QD      3.41          
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           HN       GLU   1 -13.098   2.369   1.370
    2    HA   GLU   1           HA       GLU   1 -13.114  -0.117  -0.172
    3    HB2  GLU   1          2HB       GLU   1 -11.215   2.236  -0.225
    4    HB3  GLU   1          3HB       GLU   1 -11.089   0.820  -1.261
    5    HG2  GLU   1          2HG       GLU   1 -13.621   2.390  -1.235
    6    HG3  GLU   1          3HG       GLU   1 -12.226   3.002  -2.121
    7    H    GLU   2           HN       GLU   2 -11.839  -1.819   0.275
    8    HA   GLU   2           HA       GLU   2  -9.772  -1.507   2.344
    9    HB2  GLU   2          2HB       GLU   2 -11.651  -3.866   2.157
   10    HB3  GLU   2          3HB       GLU   2 -10.432  -3.580   3.390
   11    HG2  GLU   2          2HG       GLU   2 -12.293  -1.378   3.203
   12    HG3  GLU   2          3HG       GLU   2 -13.113  -2.908   3.512
   13    H    GLU   3           HN       GLU   3  -8.843  -4.086   2.422
   14    HA   GLU   3           HA       GLU   3  -7.404  -5.512   1.387
   15    HB2  GLU   3          2HB       GLU   3  -8.718  -5.023  -1.254
   16    HB3  GLU   3          3HB       GLU   3  -8.099  -6.523  -0.578
   17    HG2  GLU   3          2HG       GLU   3  -9.977  -6.812   0.794
   18    HG3  GLU   3          3HG       GLU   3 -10.503  -5.145   0.565
   19    H    CYS   4           HN       CYS   4  -5.497  -5.540   0.148
   20    HA   CYS   4           HA       CYS   4  -4.239  -3.064  -0.202
   21    HB2  CYS   4          2HB       CYS   4  -3.065  -5.226   0.186
   22    HB3  CYS   4          3HB       CYS   4  -3.459  -5.701  -1.463
   23    H    CYS   5           HN       CYS   5  -3.834  -1.786  -1.956
   24    HA   CYS   5           HA       CYS   5  -5.490  -2.301  -4.315
   25    HB2  CYS   5          2HB       CYS   5  -4.478   0.123  -2.952
   26    HB3  CYS   5          3HB       CYS   5  -4.542   0.205  -4.709
   27    HG   CYS   5           HG       CYS   5  -7.322  -0.589  -4.708
   28    H    ILE   6           HN       ILE   6  -2.888  -3.615  -3.780
   29    HA   ILE   6           HA       ILE   6  -1.638  -2.948  -6.339
   30    HB   ILE   6           HB       ILE   6  -0.251  -2.962  -3.679
   31   HG12  ILE   6          2HG1      ILE   6  -0.160  -1.160  -6.107
   32   HG13  ILE   6          3HG1      ILE   6  -0.922  -0.803  -4.561
   33   HG21  ILE   6          1HG2      ILE   6   1.889  -2.954  -5.130
   34   HG22  ILE   6          2HG2      ILE   6   1.114  -4.494  -4.761
   35   HG23  ILE   6          3HG2      ILE   6   0.876  -3.743  -6.338
   36   HD11  ILE   6          1HD1      ILE   6   1.545  -1.244  -3.691
   37   HD12  ILE   6          2HD1      ILE   6   1.927  -0.733  -5.335
   38   HD13  ILE   6          3HD1      ILE   6   1.009   0.331  -4.271
   39    H    CYS   7           HN       CYS   7  -0.892  -5.079  -3.579
   40    HA   CYS   7           HA       CYS   7  -0.694  -7.323  -5.454
   41    HB2  CYS   7          2HB       CYS   7   0.747  -8.364  -3.953
   42    HB3  CYS   7          3HB       CYS   7   1.146  -6.663  -3.734
   43    H    MET   8           HN       MET   8  -3.009  -5.961  -3.637
   44    HA   MET   8           HA       MET   8  -4.865  -6.679  -2.497
   45    HB2  MET   8          2HB       MET   8  -4.861  -8.972  -4.443
   46    HB3  MET   8          3HB       MET   8  -6.237  -8.099  -3.781
   47    HG2  MET   8          2HG       MET   8  -4.915  -6.110  -5.070
   48    HG3  MET   8          3HG       MET   8  -4.552  -7.495  -6.096
   49    HE1  MET   8          1HE       MET   8  -8.051  -4.947  -6.546
   50    HE2  MET   8          2HE       MET   8  -6.798  -4.725  -5.323
   51    HE3  MET   8          3HE       MET   8  -6.357  -4.833  -7.029
   52    H    ASP   9           HN       ASP   9  -2.695  -7.469  -1.083
   53    HA   ASP   9           HA       ASP   9  -2.141 -10.061  -0.535
   54    HB2  ASP   9          2HB       ASP   9  -1.659  -7.696   0.745
   55    HB3  ASP   9          3HB       ASP   9  -2.696  -8.516   1.910
   56    H    GLY  10           HN       GLY  10  -5.142  -8.412   0.103
   57    HA2  GLY  10          1HA       GLY  10  -7.017 -10.153   0.096
   58    HA3  GLY  10          2HA       GLY  10  -6.166 -10.805   1.488
   59    H    ARG  11           HN       ARG  11  -5.459  -8.000   2.324
   60    HA   ARG  11           HA       ARG  11  -8.020  -6.827   2.993
   61    HB2  ARG  11          2HB       ARG  11  -7.678  -6.945   5.414
   62    HB3  ARG  11          3HB       ARG  11  -7.790  -8.553   4.714
   63    HG2  ARG  11          2HG       ARG  11  -5.103  -7.328   5.103
   64    HG3  ARG  11          3HG       ARG  11  -5.964  -7.992   6.494
   65    HD2  ARG  11          2HD       ARG  11  -6.217 -10.125   5.243
   66    HD3  ARG  11          3HD       ARG  11  -5.216  -9.446   3.961
   67    HE   ARG  11           HE       ARG  11  -3.722  -9.172   6.236
   68   HH11  ARG  11          1HH1      ARG  11  -5.239 -11.823   4.565
   69   HH12  ARG  11          2HH1      ARG  11  -4.067 -12.990   5.080
   70   HH21  ARG  11          1HH2      ARG  11  -2.172 -10.699   6.921
   71   HH22  ARG  11          2HH2      ARG  11  -2.323 -12.349   6.422
   72    H    ALA  12           HN       ALA  12  -7.842  -4.721   3.906
   73    HA   ALA  12           HA       ALA  12  -5.291  -3.439   3.265
   74    HB1  ALA  12          1HB       ALA  12  -6.634  -1.324   3.446
   75    HB2  ALA  12          2HB       ALA  12  -7.137  -2.429   2.165
   76    HB3  ALA  12          3HB       ALA  12  -8.062  -2.336   3.664
   77    H    ASP  13           HN       ASP  13  -3.908  -3.222   4.893
   78    HA   ASP  13           HA       ASP  13  -4.821  -3.131   7.637
   79    HB2  ASP  13          2HB       ASP  13  -2.392  -3.825   6.280
   80    HB3  ASP  13          3HB       ASP  13  -2.042  -2.602   7.499
   81    H    LEU  14           HN       LEU  14  -4.082  -0.898   5.183
   82    HA   LEU  14           HA       LEU  14  -4.404   1.305   7.054
   83    HB2  LEU  14          2HB       LEU  14  -1.874   0.592   5.851
   84    HB3  LEU  14          3HB       LEU  14  -2.378   2.210   5.366
   85    HG   LEU  14           HG       LEU  14  -2.291   1.383   8.253
   86   HD11  LEU  14          1HD1      LEU  14  -0.051   2.742   6.777
   87   HD12  LEU  14          2HD1      LEU  14  -0.075   1.013   7.123
   88   HD13  LEU  14          3HD1      LEU  14  -0.068   2.177   8.448
   89   HD21  LEU  14          1HD2      LEU  14  -1.940   4.099   7.015
   90   HD22  LEU  14          2HD2      LEU  14  -2.293   3.699   8.696
   91   HD23  LEU  14          3HD2      LEU  14  -3.520   3.450   7.453
   92    H    ILE  15           HN       ILE  15  -6.316   1.877   6.105
   93    HA   ILE  15           HA       ILE  15  -6.467   2.242   3.228
   94    HB   ILE  15           HB       ILE  15  -8.581   2.880   5.284
   95   HG12  ILE  15          2HG1      ILE  15  -9.235   0.510   3.917
   96   HG13  ILE  15          3HG1      ILE  15  -7.553   0.329   4.404
   97   HG21  ILE  15          1HG2      ILE  15  -8.961   3.930   3.140
   98   HG22  ILE  15          2HG2      ILE  15  -8.720   2.392   2.313
   99   HG23  ILE  15          3HG2      ILE  15 -10.113   2.615   3.371
  100   HD11  ILE  15          1HD1      ILE  15  -8.258   0.947   6.723
  101   HD12  ILE  15          2HD1      ILE  15  -9.929   0.847   6.166
  102   HD13  ILE  15          3HD1      ILE  15  -8.897  -0.583   6.124
  103    H    LEU  16           HN       LEU  16  -5.131   3.972   2.769
  104    HA   LEU  16           HA       LEU  16  -4.878   6.357   4.130
  105    HB2  LEU  16          2HB       LEU  16  -4.585   5.585   1.265
  106    HB3  LEU  16          3HB       LEU  16  -4.490   7.288   1.709
  107    HG   LEU  16           HG       LEU  16  -2.724   5.152   2.894
  108   HD11  LEU  16          1HD1      LEU  16  -1.556   5.133   1.012
  109   HD12  LEU  16          2HD1      LEU  16  -1.262   6.861   1.203
  110   HD13  LEU  16          3HD1      LEU  16  -2.655   6.302   0.279
  111   HD21  LEU  16          1HD2      LEU  16  -2.519   8.162   2.864
  112   HD22  LEU  16          2HD2      LEU  16  -1.362   7.048   3.594
  113   HD23  LEU  16          3HD2      LEU  16  -2.997   7.175   4.245
  114    HA   PRO  17           HA       PRO  17  -8.574   8.664   3.616
  115    HB2  PRO  17          2HB       PRO  17  -7.624  11.186   3.293
  116    HB3  PRO  17          3HB       PRO  17  -7.580  10.333   4.841
  117    HG2  PRO  17          2HG       PRO  17  -5.404  10.702   2.819
  118    HG3  PRO  17          3HG       PRO  17  -5.322  10.827   4.585
  119    HD2  PRO  17          2HD       PRO  17  -4.494   8.628   3.241
  120    HD3  PRO  17          3HD       PRO  17  -5.200   8.543   4.868
  121    H    CYS  18           HN       CYS  18  -6.542   8.080   1.083
  122    HA   CYS  18           HA       CYS  18  -8.092   9.706  -0.812
  123    HB2  CYS  18          2HB       CYS  18  -5.692  10.039  -0.978
  124    HB3  CYS  18          3HB       CYS  18  -5.432   8.305  -1.138
  125    H    ALA  19           HN       ALA  19  -8.211   6.750   0.519
  126    HA   ALA  19           HA       ALA  19  -9.562   4.969  -0.041
  127    HB1  ALA  19          1HB       ALA  19 -10.409   6.763  -1.858
  128    HB2  ALA  19          2HB       ALA  19  -9.692   5.555  -2.926
  129    HB3  ALA  19          3HB       ALA  19 -10.967   5.091  -1.801
  130    H    HIS  20           HN       HIS  20  -6.536   5.583  -0.782
  131    HA   HIS  20           HA       HIS  20  -6.092   3.205  -2.444
  132    HB2  HIS  20          2HB       HIS  20  -4.490   5.666  -1.869
  133    HB3  HIS  20          3HB       HIS  20  -3.651   4.192  -2.344
  134    HD2  HIS  20          2HD       HIS  20  -5.854   3.284  -4.682
  135    HE1  HIS  20          1HE       HIS  20  -4.772   7.005  -6.409
  136    HE2  HIS  20          2HE       HIS  20  -5.914   4.791  -6.784
  137    H    SER  21           HN       SER  21  -6.264   1.534  -0.998
  138    HA   SER  21           HA       SER  21  -4.915   1.602   1.546
  139    HB2  SER  21          2HB       SER  21  -5.653  -1.050   0.988
  140    HB3  SER  21          3HB       SER  21  -6.533   0.111   1.980
  141    HG   SER  21           HG       SER  21  -7.828   0.590   0.304
  142    H    PHE  22           HN       PHE  22  -3.368  -0.087   2.192
  143    HA   PHE  22           HA       PHE  22  -1.864  -1.445   0.159
  144    HB2  PHE  22          2HB       PHE  22  -0.503   0.793   1.672
  145    HB3  PHE  22          3HB       PHE  22   0.249  -0.288   0.503
  146    HD1  PHE  22          1HD       PHE  22  -1.730   2.696   0.984
  147    HD2  PHE  22          2HD       PHE  22  -0.357  -0.126  -1.892
  148    HE1  PHE  22          1HE       PHE  22  -2.289   4.270  -0.821
  149    HE2  PHE  22          2HE       PHE  22  -0.913   1.446  -3.702
  150    HZ   PHE  22           HZ       PHE  22  -1.880   3.647  -3.168
  151    H    CYS  23           HN       CYS  23  -1.808  -3.349   1.181
  152    HA   CYS  23           HA       CYS  23  -1.890  -3.879   3.869
  153    HB2  CYS  23          2HB       CYS  23  -1.147  -6.083   3.372
  154    HB3  CYS  23          3HB       CYS  23  -2.041  -5.535   1.957
  155    H    GLN  24           HN       GLN  24  -0.224  -4.677   5.343
  156    HA   GLN  24           HA       GLN  24   1.810  -2.847   5.785
  157    HB2  GLN  24          2HB       GLN  24   1.260  -5.609   6.789
  158    HB3  GLN  24          3HB       GLN  24   2.795  -4.848   7.183
  159    HG2  GLN  24          2HG       GLN  24   0.498  -3.119   7.651
  160    HG3  GLN  24          3HG       GLN  24   0.469  -4.604   8.602
  161   HE21  GLN  24          1HE2      GLN  24   1.427  -1.490   8.633
  162   HE22  GLN  24          2HE2      GLN  24   2.720  -1.583   9.776
  163    H    LYS  25           HN       LYS  25   2.129  -6.159   4.504
  164    HA   LYS  25           HA       LYS  25   4.762  -6.407   4.060
  165    HB2  LYS  25          2HB       LYS  25   2.492  -7.632   3.044
  166    HB3  LYS  25          3HB       LYS  25   3.325  -7.057   1.605
  167    HG2  LYS  25          2HG       LYS  25   4.288  -8.993   3.679
  168    HG3  LYS  25          3HG       LYS  25   4.126  -9.224   1.936
  169    HD2  LYS  25          2HD       LYS  25   5.883  -7.328   1.768
  170    HD3  LYS  25          3HD       LYS  25   6.216  -7.709   3.459
  171    HE2  LYS  25          2HE       LYS  25   6.181  -9.827   1.329
  172    HE3  LYS  25          3HE       LYS  25   7.627  -8.879   1.674
  173    HZ1  LYS  25          1HZ       LYS  25   6.209 -10.771   3.446
  174    HZ2  LYS  25          2HZ       LYS  25   7.278  -9.616   4.065
  175    HZ3  LYS  25          3HZ       LYS  25   7.834 -10.785   2.975
  176    H    CYS  26           HN       CYS  26   2.661  -4.973   1.554
  177    HA   CYS  26           HA       CYS  26   4.729  -3.982  -0.039
  178    HB2  CYS  26          2HB       CYS  26   1.892  -2.980   0.280
  179    HB3  CYS  26          3HB       CYS  26   2.986  -2.480  -1.005
  180    H    ILE  27           HN       ILE  27   2.877  -2.400   2.541
  181    HA   ILE  27           HA       ILE  27   4.017   0.146   2.318
  182    HB   ILE  27           HB       ILE  27   2.369  -1.257   4.250
  183   HG12  ILE  27          2HG1      ILE  27   2.737   1.652   3.507
  184   HG13  ILE  27          3HG1      ILE  27   1.543   0.542   2.842
  185   HG21  ILE  27          1HG2      ILE  27   4.295  -0.965   5.713
  186   HG22  ILE  27          2HG2      ILE  27   4.337   0.756   5.330
  187   HG23  ILE  27          3HG2      ILE  27   2.965   0.082   6.210
  188   HD11  ILE  27          1HD1      ILE  27   0.417   1.916   4.391
  189   HD12  ILE  27          2HD1      ILE  27   0.607   0.342   5.165
  190   HD13  ILE  27          3HD1      ILE  27   1.663   1.679   5.616
  191    H    ASP  28           HN       ASP  28   5.325  -2.794   3.503
  192    HA   ASP  28           HA       ASP  28   7.426  -1.454   5.022
  193    HB2  ASP  28          2HB       ASP  28   6.215  -4.066   5.057
  194    HB3  ASP  28          3HB       ASP  28   7.960  -4.220   4.864
  195    H    LYS  29           HN       LYS  29   6.872  -2.120   1.865
  196    HA   LYS  29           HA       LYS  29   9.710  -2.642   1.277
  197    HB2  LYS  29          2HB       LYS  29   7.512  -3.998   0.362
  198    HB3  LYS  29          3HB       LYS  29   7.794  -2.852  -0.943
  199    HG2  LYS  29          2HG       LYS  29  10.312  -3.857  -0.358
  200    HG3  LYS  29          3HG       LYS  29   9.239  -5.254  -0.249
  201    HD2  LYS  29          2HD       LYS  29   8.281  -4.446  -2.489
  202    HD3  LYS  29          3HD       LYS  29   9.724  -3.434  -2.587
  203    HE2  LYS  29          2HE       LYS  29  11.144  -5.389  -2.441
  204    HE3  LYS  29          3HE       LYS  29   9.737  -6.427  -2.216
  205    HZ1  LYS  29          1HZ       LYS  29   9.001  -5.937  -4.420
  206    HZ2  LYS  29          2HZ       LYS  29  10.618  -6.425  -4.509
  207    HZ3  LYS  29          3HZ       LYS  29  10.222  -4.786  -4.641
  208    H    TRP  30           HN       TRP  30   7.135  -0.382   0.983
  209    HA   TRP  30           HA       TRP  30   8.645   1.221  -0.956
  210    HB2  TRP  30          2HB       TRP  30   5.813   1.568   0.053
  211    HB3  TRP  30          3HB       TRP  30   6.587   2.543  -1.194
  212    HD1  TRP  30          1HD       TRP  30   4.248  -0.181  -0.935
  213    HE1  TRP  30          1HE       TRP  30   4.155  -1.582  -3.092
  214    HE3  TRP  30          3HE       TRP  30   8.539   1.476  -3.163
  215    HZ2  TRP  30          2HZ       TRP  30   5.697  -1.938  -5.429
  216    HZ3  TRP  30          3HZ       TRP  30   9.159   0.555  -5.359
  217    HH2  TRP  30          2HH       TRP  30   7.766  -1.117  -6.466
  218    H    SER  31           HN       SER  31   9.279   3.325  -0.521
  219    HA   SER  31           HA       SER  31  10.020   3.894   2.141
  220    HB2  SER  31          2HB       SER  31  10.293   5.190  -0.485
  221    HB3  SER  31          3HB       SER  31  10.230   6.315   0.871
  222    HG   SER  31           HG       SER  31  12.243   4.707   0.090
  223    H    ASP  32           HN       ASP  32   7.524   5.301   0.039
  224    HA   ASP  32           HA       ASP  32   5.626   6.469   0.496
  225    HB2  ASP  32          2HB       ASP  32   4.552   5.013   1.846
  226    HB3  ASP  32          3HB       ASP  32   5.992   4.703   2.812
  227    H    ARG  33           HN       ARG  33   6.029   8.588   0.352
  228    HA   ARG  33           HA       ARG  33   6.886   9.980   2.793
  229    HB2  ARG  33          2HB       ARG  33   7.983  10.349   0.008
  230    HB3  ARG  33          3HB       ARG  33   8.150  11.576   1.257
  231    HG2  ARG  33          2HG       ARG  33   9.113   9.514   2.620
  232    HG3  ARG  33          3HG       ARG  33   9.475   8.941   0.991
  233    HD2  ARG  33          2HD       ARG  33  10.795  10.859   0.519
  234    HD3  ARG  33          3HD       ARG  33  10.237  11.681   1.974
  235    HE   ARG  33           HE       ARG  33  11.776  10.497   3.206
  236   HH11  ARG  33          1HH1      ARG  33  11.531   9.138   0.011
  237   HH12  ARG  33          2HH1      ARG  33  12.910   8.107   0.201
  238   HH21  ARG  33          1HH2      ARG  33  13.594   9.146   3.469
  239   HH22  ARG  33          2HH2      ARG  33  14.083   8.112   2.169
  240    H    HIS  34           HN       HIS  34   5.946  11.966   3.152
  241    HA   HIS  34           HA       HIS  34   4.521  13.738   2.892
  242    HB2  HIS  34          2HB       HIS  34   5.323  13.268   0.302
  243    HB3  HIS  34          3HB       HIS  34   3.572  13.123   0.188
  244    HD2  HIS  34          2HD       HIS  34   5.779  15.828   2.078
  245    HE1  HIS  34          1HE       HIS  34   2.873  17.759  -0.334
  246    HE2  HIS  34          2HE       HIS  34   4.813  18.076   1.241
  247    H    ARG  35           HN       ARG  35   3.785  10.930   3.605
  248    HA   ARG  35           HA       ARG  35   1.932   9.593   3.878
  249    HB2  ARG  35          2HB       ARG  35   0.174  10.710   5.073
  250    HB3  ARG  35          3HB       ARG  35   1.703  11.445   5.537
  251    HG2  ARG  35          2HG       ARG  35   1.241  13.418   4.449
  252    HG3  ARG  35          3HG       ARG  35   0.103  12.659   3.335
  253    HD2  ARG  35          2HD       ARG  35  -1.324  12.230   5.440
  254    HD3  ARG  35          3HD       ARG  35  -0.298  13.446   6.199
  255    HE   ARG  35           HE       ARG  35  -1.443  15.050   5.049
  256   HH11  ARG  35          1HH1      ARG  35  -1.936  11.983   3.476
  257   HH12  ARG  35          2HH1      ARG  35  -3.094  12.602   2.345
  258   HH21  ARG  35          1HH2      ARG  35  -2.966  15.876   3.566
  259   HH22  ARG  35          2HH2      ARG  35  -3.678  14.817   2.397
  260    H    ASN  36           HN       ASN  36   2.335  10.423   1.128
  261    HA   ASN  36           HA       ASN  36  -0.433  10.670   0.171
  262    HB2  ASN  36          2HB       ASN  36   0.425  11.510  -1.878
  263    HB3  ASN  36          3HB       ASN  36   1.345  12.313  -0.610
  264   HD21  ASN  36          1HD2      ASN  36   2.361  12.306  -3.084
  265   HD22  ASN  36          2HD2      ASN  36   3.716  11.237  -3.192
  266    H    CYS  37           HN       CYS  37  -0.337   9.611  -2.287
  267    HA   CYS  37           HA       CYS  37   0.362   6.789  -1.806
  268    HB2  CYS  37          2HB       CYS  37  -1.528   6.833  -3.853
  269    HB3  CYS  37          3HB       CYS  37  -1.811   6.381  -2.176
  270    HA   PRO  38           HA       PRO  38   3.058   6.969  -5.279
  271    HB2  PRO  38          2HB       PRO  38   3.089   4.337  -5.943
  272    HB3  PRO  38          3HB       PRO  38   3.921   4.978  -4.522
  273    HG2  PRO  38          2HG       PRO  38   1.267   3.607  -4.704
  274    HG3  PRO  38          3HG       PRO  38   2.559   3.388  -3.510
  275    HD2  PRO  38          2HD       PRO  38   0.356   4.879  -3.013
  276    HD3  PRO  38          3HD       PRO  38   1.943   5.257  -2.312
  277    H    ILE  39           HN       ILE  39  -0.136   5.577  -5.539
  278    HA   ILE  39           HA       ILE  39  -0.090   5.358  -8.405
  279    HB   ILE  39           HB       ILE  39  -2.575   5.410  -6.710
  280   HG12  ILE  39          2HG1      ILE  39  -0.390   3.444  -6.734
  281   HG13  ILE  39          3HG1      ILE  39  -1.664   3.698  -5.547
  282   HG21  ILE  39          1HG2      ILE  39  -2.558   5.398  -9.286
  283   HG22  ILE  39          2HG2      ILE  39  -2.042   3.720  -9.125
  284   HG23  ILE  39          3HG2      ILE  39  -3.586   4.236  -8.447
  285   HD11  ILE  39          1HD1      ILE  39  -1.647   1.967  -7.967
  286   HD12  ILE  39          2HD1      ILE  39  -2.156   1.600  -6.319
  287   HD13  ILE  39          3HD1      ILE  39  -3.177   2.595  -7.356
  288    H    CYS  40           HN       CYS  40  -0.656   7.864  -6.153
  289    HA   CYS  40           HA       CYS  40  -2.129   9.473  -8.110
  290    HB2  CYS  40          2HB       CYS  40  -1.706   9.663  -5.148
  291    HB3  CYS  40          3HB       CYS  40  -2.150  11.102  -6.059
  292    H    ARG  41           HN       ARG  41   0.643   9.833  -5.893
  293    HA   ARG  41           HA       ARG  41   1.651  12.222  -6.738
  294    HB2  ARG  41          2HB       ARG  41   3.652  11.639  -5.726
  295    HB3  ARG  41          3HB       ARG  41   2.521  10.540  -4.950
  296    HG2  ARG  41          2HG       ARG  41   4.196   9.087  -5.449
  297    HG3  ARG  41          3HG       ARG  41   3.238   8.951  -6.925
  298    HD2  ARG  41          2HD       ARG  41   5.140   9.415  -8.002
  299    HD3  ARG  41          3HD       ARG  41   4.882  11.076  -7.471
  300    HE   ARG  41           HE       ARG  41   6.219   9.769  -5.423
  301   HH11  ARG  41          1HH1      ARG  41   6.790  10.637  -8.746
  302   HH12  ARG  41          2HH1      ARG  41   8.506  10.773  -8.551
  303   HH21  ARG  41          1HH2      ARG  41   8.477   9.946  -5.154
  304   HH22  ARG  41          2HH2      ARG  41   9.464  10.380  -6.509
  305    H    LEU  42           HN       LEU  42   1.767   9.158  -8.403
  306    HA   LEU  42           HA       LEU  42   3.582  10.187 -10.435
  307    HB2  LEU  42          2HB       LEU  42   4.141   8.060 -10.664
  308    HB3  LEU  42          3HB       LEU  42   2.969   7.638  -9.416
  309    HG   LEU  42           HG       LEU  42   1.253   7.505 -11.291
  310   HD11  LEU  42          1HD1      LEU  42   1.870   8.115 -13.328
  311   HD12  LEU  42          2HD1      LEU  42   3.026   6.784 -13.355
  312   HD13  LEU  42          3HD1      LEU  42   3.528   8.375 -12.785
  313   HD21  LEU  42          1HD2      LEU  42   2.899   5.639 -10.179
  314   HD22  LEU  42          2HD2      LEU  42   3.206   5.412 -11.901
  315   HD23  LEU  42          3HD2      LEU  42   1.562   5.286 -11.274
  Start of MODEL    2
    1    H1   GLU   1           HN       GLU   1 -15.740  -4.411   5.137
    2    HA   GLU   1           HA       GLU   1 -13.186  -3.510   5.220
    3    HB2  GLU   1          2HB       GLU   1 -12.533  -5.962   4.678
    4    HB3  GLU   1          3HB       GLU   1 -13.487  -5.632   6.118
    5    HG2  GLU   1          2HG       GLU   1 -15.453  -6.444   5.142
    6    HG3  GLU   1          3HG       GLU   1 -14.771  -6.388   3.518
    7    H    GLU   2           HN       GLU   2 -11.325  -3.730   3.856
    8    HA   GLU   2           HA       GLU   2 -11.898  -3.973   0.988
    9    HB2  GLU   2          2HB       GLU   2  -9.925  -1.903   1.727
   10    HB3  GLU   2          3HB       GLU   2 -11.123  -1.912   0.440
   11    HG2  GLU   2          2HG       GLU   2 -11.923  -0.245   1.784
   12    HG3  GLU   2          3HG       GLU   2 -12.819  -1.633   2.397
   13    H    GLU   3           HN       GLU   3  -9.745  -3.969  -0.277
   14    HA   GLU   3           HA       GLU   3  -7.695  -5.434   1.246
   15    HB2  GLU   3          2HB       GLU   3  -8.389  -6.134  -1.595
   16    HB3  GLU   3          3HB       GLU   3  -7.475  -7.077  -0.426
   17    HG2  GLU   3          2HG       GLU   3  -9.316  -7.966   0.502
   18    HG3  GLU   3          3HG       GLU   3 -10.249  -6.480   0.336
   19    H    CYS   4           HN       CYS   4  -5.553  -5.266   0.457
   20    HA   CYS   4           HA       CYS   4  -4.668  -2.788  -0.267
   21    HB2  CYS   4          2HB       CYS   4  -3.245  -4.680   0.536
   22    HB3  CYS   4          3HB       CYS   4  -3.326  -5.373  -1.080
   23    H    CYS   5           HN       CYS   5  -3.823  -1.885  -2.220
   24    HA   CYS   5           HA       CYS   5  -5.370  -2.699  -4.567
   25    HB2  CYS   5          2HB       CYS   5  -5.652  -0.389  -4.018
   26    HB3  CYS   5          3HB       CYS   5  -3.914  -0.148  -3.870
   27    HG   CYS   5           HG       CYS   5  -4.024  -1.111  -6.832
   28    H    ILE   6           HN       ILE   6  -2.051  -1.941  -3.588
   29    HA   ILE   6           HA       ILE   6  -0.876  -2.452  -6.114
   30    HB   ILE   6           HB       ILE   6   0.437  -2.637  -3.401
   31   HG12  ILE   6          2HG1      ILE   6   0.266  -0.264  -5.270
   32   HG13  ILE   6          3HG1      ILE   6  -0.717  -0.463  -3.822
   33   HG21  ILE   6          1HG2      ILE   6   2.505  -2.388  -4.513
   34   HG22  ILE   6          2HG2      ILE   6   1.622  -3.627  -5.406
   35   HG23  ILE   6          3HG2      ILE   6   1.721  -1.984  -6.039
   36   HD11  ILE   6          1HD1      ILE   6   1.092   1.001  -3.317
   37   HD12  ILE   6          2HD1      ILE   6   1.383  -0.531  -2.494
   38   HD13  ILE   6          3HD1      ILE   6   2.268  -0.141  -3.968
   39    H    CYS   7           HN       CYS   7  -0.865  -4.410  -3.129
   40    HA   CYS   7           HA       CYS   7   0.135  -6.721  -4.503
   41    HB2  CYS   7          2HB       CYS   7  -1.119  -6.718  -1.764
   42    HB3  CYS   7          3HB       CYS   7   0.116  -7.800  -2.397
   43    H    MET   8           HN       MET   8  -3.002  -5.584  -3.400
   44    HA   MET   8           HA       MET   8  -5.091  -6.549  -3.495
   45    HB2  MET   8          2HB       MET   8  -4.078  -5.906  -5.998
   46    HB3  MET   8          3HB       MET   8  -4.740  -7.519  -6.219
   47    HG2  MET   8          2HG       MET   8  -6.848  -6.613  -5.098
   48    HG3  MET   8          3HG       MET   8  -6.152  -5.018  -5.373
   49    HE1  MET   8          1HE       MET   8  -8.273  -4.451  -8.376
   50    HE2  MET   8          2HE       MET   8  -8.417  -4.494  -6.619
   51    HE3  MET   8          3HE       MET   8  -7.038  -3.691  -7.372
   52    H    ASP   9           HN       ASP   9  -3.397  -8.341  -2.278
   53    HA   ASP   9           HA       ASP   9  -4.402 -10.903  -3.317
   54    HB2  ASP   9          2HB       ASP   9  -1.641 -10.257  -2.294
   55    HB3  ASP   9          3HB       ASP   9  -2.257 -11.907  -2.349
   56    H    GLY  10           HN       GLY  10  -3.096  -9.216  -0.471
   57    HA2  GLY  10          1HA       GLY  10  -4.344 -11.151   1.308
   58    HA3  GLY  10          2HA       GLY  10  -3.323  -9.802   1.784
   59    H    ARG  11           HN       ARG  11  -4.246  -7.927   2.430
   60    HA   ARG  11           HA       ARG  11  -6.998  -7.319   1.813
   61    HB2  ARG  11          2HB       ARG  11  -7.843  -7.338   4.050
   62    HB3  ARG  11          3HB       ARG  11  -7.124  -8.913   3.744
   63    HG2  ARG  11          2HG       ARG  11  -6.309  -8.478   5.830
   64    HG3  ARG  11          3HG       ARG  11  -5.011  -7.812   4.837
   65    HD2  ARG  11          2HD       ARG  11  -5.448  -5.693   5.461
   66    HD3  ARG  11          3HD       ARG  11  -7.194  -5.943   5.446
   67    HE   ARG  11           HE       ARG  11  -5.544  -5.954   7.714
   68   HH11  ARG  11          1HH1      ARG  11  -8.154  -7.773   6.300
   69   HH12  ARG  11          2HH1      ARG  11  -8.773  -8.318   7.824
   70   HH21  ARG  11          1HH2      ARG  11  -6.350  -6.663   9.726
   71   HH22  ARG  11          2HH2      ARG  11  -7.747  -7.686   9.772
   72    H    ALA  12           HN       ALA  12  -7.588  -5.362   3.516
   73    HA   ALA  12           HA       ALA  12  -5.371  -3.453   3.175
   74    HB1  ALA  12          1HB       ALA  12  -7.270  -2.845   1.841
   75    HB2  ALA  12          2HB       ALA  12  -8.347  -2.981   3.231
   76    HB3  ALA  12          3HB       ALA  12  -7.132  -1.703   3.179
   77    H    ASP  13           HN       ASP  13  -4.333  -3.067   5.014
   78    HA   ASP  13           HA       ASP  13  -5.820  -3.152   7.544
   79    HB2  ASP  13          2HB       ASP  13  -3.626  -4.492   7.067
   80    HB3  ASP  13          3HB       ASP  13  -2.833  -2.948   7.372
   81    H    LEU  14           HN       LEU  14  -4.475  -0.990   5.316
   82    HA   LEU  14           HA       LEU  14  -4.946   1.230   7.143
   83    HB2  LEU  14          2HB       LEU  14  -2.454   0.460   7.056
   84    HB3  LEU  14          3HB       LEU  14  -2.452   1.283   5.498
   85    HG   LEU  14           HG       LEU  14  -3.228   2.634   8.076
   86   HD11  LEU  14          1HD1      LEU  14  -0.688   1.708   7.416
   87   HD12  LEU  14          2HD1      LEU  14  -1.097   2.920   8.631
   88   HD13  LEU  14          3HD1      LEU  14  -0.673   3.420   6.994
   89   HD21  LEU  14          1HD2      LEU  14  -2.390   4.597   6.525
   90   HD22  LEU  14          2HD2      LEU  14  -4.045   3.994   6.433
   91   HD23  LEU  14          3HD2      LEU  14  -2.848   3.470   5.248
   92    H    ILE  15           HN       ILE  15  -6.260   2.588   6.137
   93    HA   ILE  15           HA       ILE  15  -6.197   2.708   3.200
   94    HB   ILE  15           HB       ILE  15  -8.404   3.597   5.061
   95   HG12  ILE  15          2HG1      ILE  15  -9.120   1.414   3.348
   96   HG13  ILE  15          3HG1      ILE  15  -7.658   0.988   4.232
   97   HG21  ILE  15          1HG2      ILE  15  -8.227   3.409   2.060
   98   HG22  ILE  15          2HG2      ILE  15  -9.738   3.621   2.943
   99   HG23  ILE  15          3HG2      ILE  15  -8.483   4.856   3.036
  100   HD11  ILE  15          1HD1      ILE  15  -8.730   0.867   6.203
  101   HD12  ILE  15          2HD1      ILE  15  -9.814   2.206   5.822
  102   HD13  ILE  15          3HD1      ILE  15 -10.134   0.599   5.170
  103    H    LEU  16           HN       LEU  16  -4.728   4.266   2.724
  104    HA   LEU  16           HA       LEU  16  -4.056   6.532   4.090
  105    HB2  LEU  16          2HB       LEU  16  -4.100   5.835   1.199
  106    HB3  LEU  16          3HB       LEU  16  -3.768   7.506   1.653
  107    HG   LEU  16           HG       LEU  16  -2.179   5.170   2.698
  108   HD11  LEU  16          1HD1      LEU  16  -1.205   4.973   0.718
  109   HD12  LEU  16          2HD1      LEU  16  -0.668   6.647   0.846
  110   HD13  LEU  16          3HD1      LEU  16  -2.200   6.272   0.059
  111   HD21  LEU  16          1HD2      LEU  16  -0.579   6.828   3.334
  112   HD22  LEU  16          2HD2      LEU  16  -2.151   7.323   3.961
  113   HD23  LEU  16          3HD2      LEU  16  -1.491   8.099   2.520
  114    HA   PRO  17           HA       PRO  17  -7.370   9.407   3.979
  115    HB2  PRO  17          2HB       PRO  17  -6.079  11.764   3.590
  116    HB3  PRO  17          3HB       PRO  17  -6.010  10.870   5.114
  117    HG2  PRO  17          2HG       PRO  17  -4.020  10.961   2.879
  118    HG3  PRO  17          3HG       PRO  17  -3.740  11.022   4.629
  119    HD2  PRO  17          2HD       PRO  17  -3.401   8.761   3.178
  120    HD3  PRO  17          3HD       PRO  17  -3.943   8.739   4.868
  121    H    CYS  18           HN       CYS  18  -5.735   8.578   1.243
  122    HA   CYS  18           HA       CYS  18  -7.151  10.501  -0.467
  123    HB2  CYS  18          2HB       CYS  18  -5.641   9.827  -2.245
  124    HB3  CYS  18          3HB       CYS  18  -4.710  10.264  -0.815
  125    H    ALA  19           HN       ALA  19  -7.658   7.558   0.851
  126    HA   ALA  19           HA       ALA  19  -9.382   6.080   0.455
  127    HB1  ALA  19          1HB       ALA  19 -10.081   8.083  -1.230
  128    HB2  ALA  19          2HB       ALA  19  -9.809   6.763  -2.369
  129    HB3  ALA  19          3HB       ALA  19 -10.971   6.569  -1.056
  130    H    HIS  20           HN       HIS  20  -6.776   5.332   0.275
  131    HA   HIS  20           HA       HIS  20  -6.917   3.214  -1.727
  132    HB2  HIS  20          2HB       HIS  20  -4.717   5.253  -1.527
  133    HB3  HIS  20          3HB       HIS  20  -4.407   3.645  -2.176
  134    HD2  HIS  20          2HD       HIS  20  -7.071   3.359  -4.067
  135    HE1  HIS  20          1HE       HIS  20  -5.681   6.956  -5.834
  136    HE2  HIS  20          2HE       HIS  20  -7.250   4.999  -6.058
  137    H    SER  21           HN       SER  21  -6.556   1.342  -0.753
  138    HA   SER  21           HA       SER  21  -5.426   1.263   1.900
  139    HB2  SER  21          2HB       SER  21  -5.849  -1.251   1.606
  140    HB3  SER  21          3HB       SER  21  -7.261  -0.195   1.592
  141    HG   SER  21           HG       SER  21  -7.231  -1.767  -0.120
  142    H    PHE  22           HN       PHE  22  -3.629  -0.033   2.528
  143    HA   PHE  22           HA       PHE  22  -1.857  -1.095   0.519
  144    HB2  PHE  22          2HB       PHE  22  -0.973   1.288   2.163
  145    HB3  PHE  22          3HB       PHE  22   0.046   0.353   1.073
  146    HD1  PHE  22          1HD       PHE  22  -0.355   0.439  -1.368
  147    HD2  PHE  22          2HD       PHE  22  -2.424   2.973   1.355
  148    HE1  PHE  22          1HE       PHE  22  -0.990   1.916  -3.230
  149    HE2  PHE  22          2HE       PHE  22  -3.064   4.454  -0.503
  150    HZ   PHE  22           HZ       PHE  22  -2.347   3.926  -2.799
  151    H    CYS  23           HN       CYS  23  -2.092  -3.013   1.687
  152    HA   CYS  23           HA       CYS  23  -1.924  -3.471   4.368
  153    HB2  CYS  23          2HB       CYS  23  -1.267  -5.713   3.873
  154    HB3  CYS  23          3HB       CYS  23  -2.300  -5.180   2.550
  155    H    GLN  24           HN       GLN  24  -0.349  -3.685   5.904
  156    HA   GLN  24           HA       GLN  24   1.857  -2.107   5.927
  157    HB2  GLN  24          2HB       GLN  24   0.772  -3.730   7.741
  158    HB3  GLN  24          3HB       GLN  24   2.140  -4.739   7.290
  159    HG2  GLN  24          2HG       GLN  24   2.731  -3.426   9.199
  160    HG3  GLN  24          3HG       GLN  24   3.650  -2.857   7.807
  161   HE21  GLN  24          1HE2      GLN  24   3.956  -0.764   8.127
  162   HE22  GLN  24          2HE2      GLN  24   2.727   0.388   8.508
  163    H    LYS  25           HN       LYS  25   1.725  -5.474   4.836
  164    HA   LYS  25           HA       LYS  25   4.270  -6.194   4.441
  165    HB2  LYS  25          2HB       LYS  25   2.384  -6.417   2.113
  166    HB3  LYS  25          3HB       LYS  25   3.589  -7.572   2.666
  167    HG2  LYS  25          2HG       LYS  25   0.900  -6.971   3.841
  168    HG3  LYS  25          3HG       LYS  25   1.532  -8.511   3.255
  169    HD2  LYS  25          2HD       LYS  25   3.032  -8.679   5.113
  170    HD3  LYS  25          3HD       LYS  25   2.647  -7.038   5.638
  171    HE2  LYS  25          2HE       LYS  25   1.407  -8.406   7.070
  172    HE3  LYS  25          3HE       LYS  25   0.239  -7.872   5.862
  173    HZ1  LYS  25          1HZ       LYS  25   1.570 -10.513   6.049
  174    HZ2  LYS  25          2HZ       LYS  25   0.715 -10.011   4.678
  175    HZ3  LYS  25          3HZ       LYS  25  -0.084 -10.176   6.160
  176    H    CYS  26           HN       CYS  26   2.537  -4.405   1.883
  177    HA   CYS  26           HA       CYS  26   4.928  -3.730   0.504
  178    HB2  CYS  26          2HB       CYS  26   3.409  -2.169  -0.775
  179    HB3  CYS  26          3HB       CYS  26   2.915  -3.859  -0.771
  180    H    ILE  27           HN       ILE  27   2.781  -1.941   2.680
  181    HA   ILE  27           HA       ILE  27   3.944   0.571   2.504
  182    HB   ILE  27           HB       ILE  27   2.198  -0.797   4.387
  183   HG12  ILE  27          2HG1      ILE  27   2.513   2.090   3.537
  184   HG13  ILE  27          3HG1      ILE  27   1.437   0.903   2.807
  185   HG21  ILE  27          1HG2      ILE  27   3.990  -0.363   5.965
  186   HG22  ILE  27          2HG2      ILE  27   4.048   1.326   5.464
  187   HG23  ILE  27          3HG2      ILE  27   2.622   0.700   6.291
  188   HD11  ILE  27          1HD1      ILE  27  -0.049   1.967   4.140
  189   HD12  ILE  27          2HD1      ILE  27   0.534   0.768   5.296
  190   HD13  ILE  27          3HD1      ILE  27   1.171   2.413   5.334
  191    H    ASP  28           HN       ASP  28   5.217  -2.307   3.839
  192    HA   ASP  28           HA       ASP  28   7.271  -0.824   5.328
  193    HB2  ASP  28          2HB       ASP  28   5.817  -2.992   6.113
  194    HB3  ASP  28          3HB       ASP  28   7.269  -3.768   5.484
  195    H    LYS  29           HN       LYS  29   6.774  -3.091   2.701
  196    HA   LYS  29           HA       LYS  29   9.471  -3.770   2.244
  197    HB2  LYS  29          2HB       LYS  29   7.556  -5.014   1.297
  198    HB3  LYS  29          3HB       LYS  29   7.195  -3.644   0.255
  199    HG2  LYS  29          2HG       LYS  29   9.463  -3.914  -0.754
  200    HG3  LYS  29          3HG       LYS  29   9.636  -5.401   0.182
  201    HD2  LYS  29          2HD       LYS  29   7.533  -6.223  -0.904
  202    HD3  LYS  29          3HD       LYS  29   7.586  -4.801  -1.949
  203    HE2  LYS  29          2HE       LYS  29  10.147  -6.010  -2.005
  204    HE3  LYS  29          3HE       LYS  29   8.952  -7.286  -2.235
  205    HZ1  LYS  29          1HZ       LYS  29   8.189  -5.096  -3.792
  206    HZ2  LYS  29          2HZ       LYS  29   8.708  -6.619  -4.315
  207    HZ3  LYS  29          3HZ       LYS  29   9.832  -5.375  -4.086
  208    H    TRP  30           HN       TRP  30   7.431  -1.176   0.969
  209    HA   TRP  30           HA       TRP  30   9.365  -0.160  -0.842
  210    HB2  TRP  30          2HB       TRP  30   6.847   0.965   0.360
  211    HB3  TRP  30          3HB       TRP  30   7.881   1.946  -0.675
  212    HD1  TRP  30          1HD       TRP  30   5.304  -0.815  -0.791
  213    HE1  TRP  30          1HE       TRP  30   4.765  -1.374  -3.245
  214    HE3  TRP  30          3HE       TRP  30   9.008   1.873  -3.068
  215    HZ2  TRP  30          2HZ       TRP  30   5.776  -0.756  -5.807
  216    HZ3  TRP  30          3HZ       TRP  30   9.153   1.835  -5.524
  217    HH2  TRP  30          2HH       TRP  30   7.570   0.547  -6.864
  218    H    SER  31           HN       SER  31  10.205   2.135  -0.643
  219    HA   SER  31           HA       SER  31  11.159   2.612   2.105
  220    HB2  SER  31          2HB       SER  31  12.774   3.417  -0.291
  221    HB3  SER  31          3HB       SER  31  13.314   3.067   1.351
  222    HG   SER  31           HG       SER  31  13.851   1.372  -0.065
  223    H    ASP  32           HN       ASP  32   8.859   3.736   0.565
  224    HA   ASP  32           HA       ASP  32   9.507   6.552   1.028
  225    HB2  ASP  32          2HB       ASP  32   7.738   6.296  -1.249
  226    HB3  ASP  32          3HB       ASP  32   9.244   7.198  -1.100
  227    H    ARG  33           HN       ARG  33   8.151   7.142   2.583
  228    HA   ARG  33           HA       ARG  33   5.305   6.498   2.277
  229    HB2  ARG  33          2HB       ARG  33   5.251   6.237   4.825
  230    HB3  ARG  33          3HB       ARG  33   5.916   4.905   3.889
  231    HG2  ARG  33          2HG       ARG  33   7.415   5.120   5.635
  232    HG3  ARG  33          3HG       ARG  33   8.195   6.024   4.336
  233    HD2  ARG  33          2HD       ARG  33   7.817   8.049   5.332
  234    HD3  ARG  33          3HD       ARG  33   6.373   7.487   6.172
  235    HE   ARG  33           HE       ARG  33   7.691   6.784   7.922
  236   HH11  ARG  33          1HH1      ARG  33   9.689   7.615   5.196
  237   HH12  ARG  33          2HH1      ARG  33  11.170   7.540   6.092
  238   HH21  ARG  33          1HH2      ARG  33   9.633   6.683   9.114
  239   HH22  ARG  33          2HH2      ARG  33  11.137   7.010   8.321
  240    H    HIS  34           HN       HIS  34   3.876   8.029   3.121
  241    HA   HIS  34           HA       HIS  34   4.655  10.256   4.670
  242    HB2  HIS  34          2HB       HIS  34   4.862  10.512   1.727
  243    HB3  HIS  34          3HB       HIS  34   4.060  11.837   2.564
  244    HD2  HIS  34          2HD       HIS  34   6.500  11.031   5.099
  245    HE1  HIS  34          1HE       HIS  34   8.758  13.302   2.317
  246    HE2  HIS  34          2HE       HIS  34   8.708  12.293   4.624
  247    H    ARG  35           HN       ARG  35   2.586  10.789   1.922
  248    HA   ARG  35           HA       ARG  35   0.165   9.844   3.001
  249    HB2  ARG  35          2HB       ARG  35  -0.871  11.953   3.688
  250    HB3  ARG  35          3HB       ARG  35   0.530  11.582   4.685
  251    HG2  ARG  35          2HG       ARG  35   1.223  13.648   4.278
  252    HG3  ARG  35          3HG       ARG  35   1.560  13.120   2.627
  253    HD2  ARG  35          2HD       ARG  35  -1.161  13.624   2.624
  254    HD3  ARG  35          3HD       ARG  35  -0.494  14.912   3.627
  255    HE   ARG  35           HE       ARG  35  -0.292  14.693   0.816
  256   HH11  ARG  35          1HH1      ARG  35   1.540  15.630   3.625
  257   HH12  ARG  35          2HH1      ARG  35   2.537  16.754   2.761
  258   HH21  ARG  35          1HH2      ARG  35   1.013  16.170  -0.332
  259   HH22  ARG  35          2HH2      ARG  35   2.235  17.061   0.511
  260    H    ASN  36           HN       ASN  36   1.621  10.067   0.490
  261    HA   ASN  36           HA       ASN  36  -0.371  11.554  -1.096
  262    HB2  ASN  36          2HB       ASN  36   1.360  11.813  -2.829
  263    HB3  ASN  36          3HB       ASN  36   1.860  12.539  -1.304
  264   HD21  ASN  36          1HD2      ASN  36   3.659  11.825  -0.312
  265   HD22  ASN  36          2HD2      ASN  36   4.667  10.559  -0.918
  266    H    CYS  37           HN       CYS  37   1.630   8.649  -0.907
  267    HA   CYS  37           HA       CYS  37   1.292   6.537  -1.691
  268    HB2  CYS  37          2HB       CYS  37  -0.840   5.825  -1.675
  269    HB3  CYS  37          3HB       CYS  37  -1.268   7.489  -1.287
  270    HA   PRO  38           HA       PRO  38   2.623   6.840  -5.870
  271    HB2  PRO  38          2HB       PRO  38   2.439   4.231  -6.596
  272    HB3  PRO  38          3HB       PRO  38   3.701   4.842  -5.520
  273    HG2  PRO  38          2HG       PRO  38   1.149   3.435  -4.839
  274    HG3  PRO  38          3HG       PRO  38   2.770   3.199  -4.163
  275    HD2  PRO  38          2HD       PRO  38   0.860   4.640  -2.896
  276    HD3  PRO  38          3HD       PRO  38   2.589   5.021  -2.762
  277    H    ILE  39           HN       ILE  39  -0.214   4.726  -5.408
  278    HA   ILE  39           HA       ILE  39  -1.294   4.501  -7.834
  279    HB   ILE  39           HB       ILE  39  -2.801   5.346  -5.359
  280   HG12  ILE  39          2HG1      ILE  39  -1.650   3.259  -5.029
  281   HG13  ILE  39          3HG1      ILE  39  -3.355   2.902  -5.279
  282   HG21  ILE  39          1HG2      ILE  39  -3.772   4.409  -8.040
  283   HG22  ILE  39          2HG2      ILE  39  -4.738   4.216  -6.578
  284   HG23  ILE  39          3HG2      ILE  39  -4.271   5.829  -7.119
  285   HD11  ILE  39          1HD1      ILE  39  -1.043   2.434  -7.111
  286   HD12  ILE  39          2HD1      ILE  39  -2.276   1.303  -6.550
  287   HD13  ILE  39          3HD1      ILE  39  -2.688   2.540  -7.737
  288    H    CYS  40           HN       CYS  40  -2.615   7.170  -5.912
  289    HA   CYS  40           HA       CYS  40  -3.687   8.675  -7.886
  290    HB2  CYS  40          2HB       CYS  40  -2.183   9.757  -5.494
  291    HB3  CYS  40          3HB       CYS  40  -3.353  10.654  -6.455
  292    H    ARG  41           HN       ARG  41  -0.361   9.139  -6.678
  293    HA   ARG  41           HA       ARG  41   0.531  11.095  -8.337
  294    HB2  ARG  41          2HB       ARG  41   2.528  10.591  -7.458
  295    HB3  ARG  41          3HB       ARG  41   1.719   9.276  -6.618
  296    HG2  ARG  41          2HG       ARG  41   3.513   8.230  -7.634
  297    HG3  ARG  41          3HG       ARG  41   2.186   7.916  -8.755
  298    HD2  ARG  41          2HD       ARG  41   3.090   9.188 -10.380
  299    HD3  ARG  41          3HD       ARG  41   3.679  10.401  -9.243
  300    HE   ARG  41           HE       ARG  41   5.185   8.019  -9.009
  301   HH11  ARG  41          1HH1      ARG  41   4.709  10.762 -11.099
  302   HH12  ARG  41          2HH1      ARG  41   6.317  10.716 -11.742
  303   HH21  ARG  41          1HH2      ARG  41   7.304   7.947  -9.849
  304   HH22  ARG  41          2HH2      ARG  41   7.792   9.113 -11.031
  305    H    LEU  42           HN       LEU  42  -0.022   7.733  -9.160
  306    HA   LEU  42           HA       LEU  42   0.213   6.565 -11.117
  307    HB2  LEU  42          2HB       LEU  42  -1.209   9.081 -11.671
  308    HB3  LEU  42          3HB       LEU  42  -0.596   8.233 -13.089
  309    HG   LEU  42           HG       LEU  42  -2.416   6.999 -11.025
  310   HD11  LEU  42          1HD1      LEU  42  -3.041   8.903 -13.003
  311   HD12  LEU  42          2HD1      LEU  42  -4.151   7.947 -12.022
  312   HD13  LEU  42          3HD1      LEU  42  -3.619   7.343 -13.591
  313   HD21  LEU  42          1HD2      LEU  42  -2.094   5.964 -13.787
  314   HD22  LEU  42          2HD2      LEU  42  -2.418   5.102 -12.282
  315   HD23  LEU  42          3HD2      LEU  42  -0.785   5.668 -12.642
  Start of MODEL    3
    1    H1   GLU   1           HN       GLU   1 -13.859  -2.665   6.605
    2    HA   GLU   1           HA       GLU   1 -11.336  -3.780   6.084
    3    HB2  GLU   1          2HB       GLU   1 -14.075  -5.028   5.799
    4    HB3  GLU   1          3HB       GLU   1 -12.558  -5.917   5.810
    5    HG2  GLU   1          2HG       GLU   1 -12.317  -4.545   8.111
    6    HG3  GLU   1          3HG       GLU   1 -14.070  -4.717   8.029
    7    H    GLU   2           HN       GLU   2 -10.299  -3.329   4.231
    8    HA   GLU   2           HA       GLU   2 -11.701  -3.942   1.715
    9    HB2  GLU   2          2HB       GLU   2  -9.482  -1.956   1.710
   10    HB3  GLU   2          3HB       GLU   2 -10.892  -2.066   0.665
   11    HG2  GLU   2          2HG       GLU   2 -10.768  -1.013   3.476
   12    HG3  GLU   2          3HG       GLU   2 -11.124  -0.117   1.999
   13    H    GLU   3           HN       GLU   3  -9.512  -3.639   0.016
   14    HA   GLU   3           HA       GLU   3  -7.559  -5.596   1.008
   15    HB2  GLU   3          2HB       GLU   3  -8.712  -5.725  -1.775
   16    HB3  GLU   3          3HB       GLU   3  -7.695  -6.912  -0.971
   17    HG2  GLU   3          2HG       GLU   3  -9.458  -7.956  -0.142
   18    HG3  GLU   3          3HG       GLU   3 -10.084  -6.462   0.553
   19    H    CYS   4           HN       CYS   4  -5.487  -5.221   0.428
   20    HA   CYS   4           HA       CYS   4  -4.460  -2.838  -0.193
   21    HB2  CYS   4          2HB       CYS   4  -3.188  -4.982   0.271
   22    HB3  CYS   4          3HB       CYS   4  -3.329  -5.341  -1.447
   23    H    CYS   5           HN       CYS   5  -3.869  -1.635  -2.000
   24    HA   CYS   5           HA       CYS   5  -5.377  -2.293  -4.435
   25    HB2  CYS   5          2HB       CYS   5  -5.499  -0.018  -2.996
   26    HB3  CYS   5          3HB       CYS   5  -4.197   0.407  -4.100
   27    HG   CYS   5           HG       CYS   5  -5.818  -0.255  -6.390
   28    H    ILE   6           HN       ILE   6  -2.601  -3.181  -3.542
   29    HA   ILE   6           HA       ILE   6  -1.194  -2.337  -5.990
   30    HB   ILE   6           HB       ILE   6  -0.061  -2.817  -3.241
   31   HG12  ILE   6          2HG1      ILE   6   0.115  -0.495  -5.175
   32   HG13  ILE   6          3HG1      ILE   6  -0.854  -0.548  -3.705
   33   HG21  ILE   6          1HG2      ILE   6   2.173  -2.555  -4.271
   34   HG22  ILE   6          2HG2      ILE   6   1.344  -4.026  -4.780
   35   HG23  ILE   6          3HG2      ILE   6   1.416  -2.635  -5.863
   36   HD11  ILE   6          1HD1      ILE   6   1.283  -0.835  -2.429
   37   HD12  ILE   6          2HD1      ILE   6   2.139  -0.499  -3.934
   38   HD13  ILE   6          3HD1      ILE   6   1.080   0.722  -3.230
   39    H    CYS   7           HN       CYS   7  -0.848  -4.838  -3.466
   40    HA   CYS   7           HA       CYS   7  -0.040  -6.781  -5.446
   41    HB2  CYS   7          2HB       CYS   7   0.186  -8.303  -3.501
   42    HB3  CYS   7          3HB       CYS   7   1.074  -6.797  -3.290
   43    H    MET   8           HN       MET   8  -2.960  -5.728  -4.090
   44    HA   MET   8           HA       MET   8  -5.086  -6.562  -4.031
   45    HB2  MET   8          2HB       MET   8  -3.925  -7.201  -6.659
   46    HB3  MET   8          3HB       MET   8  -5.358  -8.133  -6.245
   47    HG2  MET   8          2HG       MET   8  -6.730  -6.322  -6.300
   48    HG3  MET   8          3HG       MET   8  -5.455  -5.203  -5.826
   49    HE1  MET   8          1HE       MET   8  -7.396  -6.970  -8.335
   50    HE2  MET   8          2HE       MET   8  -6.950  -6.290  -9.901
   51    HE3  MET   8          3HE       MET   8  -6.029  -7.636  -9.229
   52    H    ASP   9           HN       ASP   9  -2.899  -8.231  -2.820
   53    HA   ASP   9           HA       ASP   9  -4.415 -10.751  -2.722
   54    HB2  ASP   9          2HB       ASP   9  -2.012 -10.641  -3.910
   55    HB3  ASP   9          3HB       ASP   9  -1.486 -10.867  -2.245
   56    H    GLY  10           HN       GLY  10  -5.043  -8.848  -0.953
   57    HA2  GLY  10          1HA       GLY  10  -4.752 -10.026   1.529
   58    HA3  GLY  10          2HA       GLY  10  -3.450  -8.852   1.411
   59    H    ARG  11           HN       ARG  11  -5.491  -8.713   3.329
   60    HA   ARG  11           HA       ARG  11  -7.593  -6.978   2.576
   61    HB2  ARG  11          2HB       ARG  11  -6.418  -7.927   5.137
   62    HB3  ARG  11          3HB       ARG  11  -7.400  -6.469   5.195
   63    HG2  ARG  11          2HG       ARG  11  -9.245  -7.685   5.175
   64    HG3  ARG  11          3HG       ARG  11  -8.769  -8.426   3.646
   65    HD2  ARG  11          2HD       ARG  11  -8.027 -10.310   4.641
   66    HD3  ARG  11          3HD       ARG  11  -7.381  -9.444   6.033
   67    HE   ARG  11           HE       ARG  11 -10.007  -9.252   6.465
   68   HH11  ARG  11          1HH1      ARG  11  -8.026 -11.971   5.569
   69   HH12  ARG  11          2HH1      ARG  11  -9.035 -13.134   6.362
   70   HH21  ARG  11          1HH2      ARG  11 -11.343 -10.773   7.514
   71   HH22  ARG  11          2HH2      ARG  11 -10.923 -12.452   7.468
   72    H    ALA  12           HN       ALA  12  -7.716  -4.831   4.088
   73    HA   ALA  12           HA       ALA  12  -5.347  -3.247   3.335
   74    HB1  ALA  12          1HB       ALA  12  -7.047  -2.374   2.036
   75    HB2  ALA  12          2HB       ALA  12  -8.266  -2.603   3.291
   76    HB3  ALA  12          3HB       ALA  12  -7.073  -1.313   3.446
   77    H    ASP  13           HN       ASP  13  -4.318  -3.676   5.343
   78    HA   ASP  13           HA       ASP  13  -5.525  -3.113   7.848
   79    HB2  ASP  13          2HB       ASP  13  -3.434  -4.545   7.331
   80    HB3  ASP  13          3HB       ASP  13  -2.559  -3.016   7.360
   81    H    LEU  14           HN       LEU  14  -4.116  -1.138   5.424
   82    HA   LEU  14           HA       LEU  14  -4.327   1.184   7.216
   83    HB2  LEU  14          2HB       LEU  14  -1.985   0.194   5.956
   84    HB3  LEU  14          3HB       LEU  14  -2.414   1.717   5.179
   85    HG   LEU  14           HG       LEU  14  -0.807   2.056   6.980
   86   HD11  LEU  14          1HD1      LEU  14  -3.465   3.133   7.878
   87   HD12  LEU  14          2HD1      LEU  14  -2.639   3.721   6.435
   88   HD13  LEU  14          3HD1      LEU  14  -1.873   3.881   8.015
   89   HD21  LEU  14          1HD2      LEU  14  -2.947   0.852   8.733
   90   HD22  LEU  14          2HD2      LEU  14  -1.505   1.681   9.323
   91   HD23  LEU  14          3HD2      LEU  14  -1.348   0.183   8.402
   92    H    ILE  15           HN       ILE  15  -5.995   2.339   6.515
   93    HA   ILE  15           HA       ILE  15  -6.464   2.536   3.617
   94    HB   ILE  15           HB       ILE  15  -8.402   3.158   5.846
   95   HG12  ILE  15          2HG1      ILE  15  -8.920   0.854   4.092
   96   HG13  ILE  15          3HG1      ILE  15  -7.526   0.660   5.148
   97   HG21  ILE  15          1HG2      ILE  15  -9.972   3.647   4.264
   98   HG22  ILE  15          2HG2      ILE  15  -8.524   4.181   3.414
   99   HG23  ILE  15          3HG2      ILE  15  -9.231   2.608   3.047
  100   HD11  ILE  15          1HD1      ILE  15  -9.209  -0.201   6.438
  101   HD12  ILE  15          2HD1      ILE  15  -9.175   1.474   6.994
  102   HD13  ILE  15          3HD1      ILE  15 -10.404   0.952   5.841
  103    H    LEU  16           HN       LEU  16  -4.994   4.205   3.206
  104    HA   LEU  16           HA       LEU  16  -4.647   6.554   4.611
  105    HB2  LEU  16          2HB       LEU  16  -4.362   5.811   1.738
  106    HB3  LEU  16          3HB       LEU  16  -4.204   7.504   2.204
  107    HG   LEU  16           HG       LEU  16  -2.539   5.311   3.422
  108   HD11  LEU  16          1HD1      LEU  16  -0.838   6.638   1.795
  109   HD12  LEU  16          2HD1      LEU  16  -2.305   6.653   0.817
  110   HD13  LEU  16          3HD1      LEU  16  -1.633   5.121   1.375
  111   HD21  LEU  16          1HD2      LEU  16  -2.761   7.443   4.662
  112   HD22  LEU  16          2HD2      LEU  16  -2.113   8.293   3.259
  113   HD23  LEU  16          3HD2      LEU  16  -1.113   7.122   4.121
  114    HA   PRO  17           HA       PRO  17  -8.230   9.034   4.099
  115    HB2  PRO  17          2HB       PRO  17  -7.170  11.513   3.786
  116    HB3  PRO  17          3HB       PRO  17  -7.163  10.654   5.331
  117    HG2  PRO  17          2HG       PRO  17  -4.973  10.933   3.309
  118    HG3  PRO  17          3HG       PRO  17  -4.886  11.048   5.076
  119    HD2  PRO  17          2HD       PRO  17  -4.155   8.819   3.723
  120    HD3  PRO  17          3HD       PRO  17  -4.864   8.760   5.350
  121    H    CYS  18           HN       CYS  18  -6.211   8.386   1.564
  122    HA   CYS  18           HA       CYS  18  -7.642  10.114  -0.327
  123    HB2  CYS  18          2HB       CYS  18  -5.216  10.194  -0.501
  124    HB3  CYS  18          3HB       CYS  18  -5.145   8.443  -0.675
  125    H    ALA  19           HN       ALA  19  -7.917   7.112   0.985
  126    HA   ALA  19           HA       ALA  19  -9.409   5.438   0.467
  127    HB1  ALA  19          1HB       ALA  19 -10.985   5.832  -1.063
  128    HB2  ALA  19          2HB       ALA  19 -10.192   7.392  -1.293
  129    HB3  ALA  19          3HB       ALA  19  -9.805   6.041  -2.357
  130    H    HIS  20           HN       HIS  20  -6.451   5.616  -0.121
  131    HA   HIS  20           HA       HIS  20  -6.294   3.392  -2.049
  132    HB2  HIS  20          2HB       HIS  20  -4.448   5.684  -1.491
  133    HB3  HIS  20          3HB       HIS  20  -3.794   4.176  -2.120
  134    HD2  HIS  20          2HD       HIS  20  -6.057   3.524  -4.380
  135    HE1  HIS  20          1HE       HIS  20  -5.133   7.397  -5.845
  136    HE2  HIS  20          2HE       HIS  20  -6.263   5.201  -6.339
  137    H    SER  21           HN       SER  21  -6.512   1.694  -0.635
  138    HA   SER  21           HA       SER  21  -5.224   1.510   1.871
  139    HB2  SER  21          2HB       SER  21  -5.650  -1.071   1.327
  140    HB3  SER  21          3HB       SER  21  -6.963   0.018   1.776
  141    HG   SER  21           HG       SER  21  -7.796  -0.337  -0.107
  142    H    PHE  22           HN       PHE  22  -3.571  -0.100   2.458
  143    HA   PHE  22           HA       PHE  22  -1.786  -1.074   0.436
  144    HB2  PHE  22          2HB       PHE  22  -0.868   1.191   2.220
  145    HB3  PHE  22          3HB       PHE  22   0.185   0.229   1.187
  146    HD1  PHE  22          1HD       PHE  22  -0.328   0.234  -1.328
  147    HD2  PHE  22          2HD       PHE  22  -1.874   3.109   1.402
  148    HE1  PHE  22          1HE       PHE  22  -0.751   1.777  -3.198
  149    HE2  PHE  22          2HE       PHE  22  -2.302   4.656  -0.462
  150    HZ   PHE  22           HZ       PHE  22  -1.740   3.990  -2.767
  151    H    CYS  23           HN       CYS  23  -2.022  -3.060   1.415
  152    HA   CYS  23           HA       CYS  23  -2.018  -3.729   4.062
  153    HB2  CYS  23          2HB       CYS  23  -1.410  -5.932   3.428
  154    HB3  CYS  23          3HB       CYS  23  -2.285  -5.266   2.053
  155    H    GLN  24           HN       GLN  24  -0.483  -4.265   5.613
  156    HA   GLN  24           HA       GLN  24   1.669  -2.678   6.011
  157    HB2  GLN  24          2HB       GLN  24   0.938  -5.385   6.970
  158    HB3  GLN  24          3HB       GLN  24   2.605  -4.891   7.227
  159    HG2  GLN  24          2HG       GLN  24   0.699  -2.830   7.973
  160    HG3  GLN  24          3HG       GLN  24   0.470  -4.334   8.864
  161   HE21  GLN  24          1HE2      GLN  24   3.178  -2.332   7.731
  162   HE22  GLN  24          2HE2      GLN  24   4.055  -2.377   9.219
  163    H    LYS  25           HN       LYS  25   1.993  -6.013   4.779
  164    HA   LYS  25           HA       LYS  25   4.586  -6.230   4.213
  165    HB2  LYS  25          2HB       LYS  25   2.157  -7.197   2.904
  166    HB3  LYS  25          3HB       LYS  25   3.537  -7.114   1.817
  167    HG2  LYS  25          2HG       LYS  25   3.671  -8.471   4.492
  168    HG3  LYS  25          3HG       LYS  25   3.166  -9.305   3.021
  169    HD2  LYS  25          2HD       LYS  25   5.641  -7.782   2.714
  170    HD3  LYS  25          3HD       LYS  25   5.749  -9.070   3.916
  171    HE2  LYS  25          2HE       LYS  25   5.333 -10.730   2.363
  172    HE3  LYS  25          3HE       LYS  25   4.522  -9.629   1.250
  173    HZ1  LYS  25          1HZ       LYS  25   6.470  -8.956   0.349
  174    HZ2  LYS  25          2HZ       LYS  25   6.973 -10.494   0.846
  175    HZ3  LYS  25          3HZ       LYS  25   7.347  -9.136   1.784
  176    H    CYS  26           HN       CYS  26   2.356  -4.746   1.853
  177    HA   CYS  26           HA       CYS  26   4.319  -3.809   0.105
  178    HB2  CYS  26          2HB       CYS  26   1.477  -3.028   0.652
  179    HB3  CYS  26          3HB       CYS  26   2.450  -2.052  -0.443
  180    H    ILE  27           HN       ILE  27   2.798  -2.240   2.891
  181    HA   ILE  27           HA       ILE  27   3.929   0.295   2.607
  182    HB   ILE  27           HB       ILE  27   2.536  -1.155   4.687
  183   HG12  ILE  27          2HG1      ILE  27   2.890   1.814   4.230
  184   HG13  ILE  27          3HG1      ILE  27   1.719   0.812   3.380
  185   HG21  ILE  27          1HG2      ILE  27   4.795   0.650   5.528
  186   HG22  ILE  27          2HG2      ILE  27   3.443   0.223   6.575
  187   HG23  ILE  27          3HG2      ILE  27   4.530  -1.033   5.984
  188   HD11  ILE  27          1HD1      ILE  27   0.428   1.716   5.035
  189   HD12  ILE  27          2HD1      ILE  27   0.933   0.207   5.794
  190   HD13  ILE  27          3HD1      ILE  27   1.740   1.718   6.213
  191    H    ASP  28           HN       ASP  28   5.300  -2.688   3.740
  192    HA   ASP  28           HA       ASP  28   7.488  -1.663   5.186
  193    HB2  ASP  28          2HB       ASP  28   6.566  -4.105   4.969
  194    HB3  ASP  28          3HB       ASP  28   7.693  -4.210   3.619
  195    H    LYS  29           HN       LYS  29   7.029  -2.362   1.763
  196    HA   LYS  29           HA       LYS  29   9.755  -1.845   1.052
  197    HB2  LYS  29          2HB       LYS  29   7.333  -1.860  -0.754
  198    HB3  LYS  29          3HB       LYS  29   9.014  -2.057  -1.236
  199    HG2  LYS  29          2HG       LYS  29   9.025  -4.139   0.222
  200    HG3  LYS  29          3HG       LYS  29   7.267  -3.980   0.264
  201    HD2  LYS  29          2HD       LYS  29   7.588  -3.787  -2.357
  202    HD3  LYS  29          3HD       LYS  29   9.063  -4.686  -1.999
  203    HE2  LYS  29          2HE       LYS  29   6.324  -5.528  -1.070
  204    HE3  LYS  29          3HE       LYS  29   7.062  -6.093  -2.569
  205    HZ1  LYS  29          1HZ       LYS  29   8.921  -6.956  -1.228
  206    HZ2  LYS  29          2HZ       LYS  29   7.447  -7.689  -0.845
  207    HZ3  LYS  29          3HZ       LYS  29   8.097  -6.512   0.182
  208    H    TRP  30           HN       TRP  30   6.749  -0.108   0.219
  209    HA   TRP  30           HA       TRP  30   8.288   2.304  -0.299
  210    HB2  TRP  30          2HB       TRP  30   6.302   3.195  -1.269
  211    HB3  TRP  30          3HB       TRP  30   6.394   1.512  -1.782
  212    HD1  TRP  30          1HD       TRP  30   4.451  -0.090  -1.052
  213    HE1  TRP  30          1HE       TRP  30   2.206   0.277   0.151
  214    HE3  TRP  30          3HE       TRP  30   5.196   4.685   0.619
  215    HZ2  TRP  30          2HZ       TRP  30   0.920   2.319   1.616
  216    HZ3  TRP  30          3HZ       TRP  30   3.409   5.772   1.914
  217    HH2  TRP  30          2HH       TRP  30   1.316   4.613   2.400
  218    H    SER  31           HN       SER  31   8.674   3.759   1.222
  219    HA   SER  31           HA       SER  31   6.633   4.402   3.189
  220    HB2  SER  31          2HB       SER  31   7.991   2.578   4.219
  221    HB3  SER  31          3HB       SER  31   9.419   3.602   4.063
  222    HG   SER  31           HG       SER  31   8.431   3.742   6.141
  223    H    ASP  32           HN       ASP  32   6.441   6.498   2.677
  224    HA   ASP  32           HA       ASP  32   8.817   8.185   2.985
  225    HB2  ASP  32          2HB       ASP  32   6.861   8.373   0.684
  226    HB3  ASP  32          3HB       ASP  32   8.123   9.552   1.033
  227    H    ARG  33           HN       ARG  33   7.814   8.557   5.072
  228    HA   ARG  33           HA       ARG  33   5.336   9.439   5.693
  229    HB2  ARG  33          2HB       ARG  33   8.035  10.063   6.748
  230    HB3  ARG  33          3HB       ARG  33   6.735  11.138   7.243
  231    HG2  ARG  33          2HG       ARG  33   5.483   8.956   7.845
  232    HG3  ARG  33          3HG       ARG  33   7.088   8.224   7.794
  233    HD2  ARG  33          2HD       ARG  33   7.836   9.410   9.613
  234    HD3  ARG  33          3HD       ARG  33   6.706  10.737   9.346
  235    HE   ARG  33           HE       ARG  33   5.223   8.469  10.010
  236   HH11  ARG  33          1HH1      ARG  33   7.545  10.613  11.470
  237   HH12  ARG  33          2HH1      ARG  33   6.939  10.388  13.077
  238   HH21  ARG  33          1HH2      ARG  33   4.414   8.165  12.121
  239   HH22  ARG  33          2HH2      ARG  33   5.158   8.994  13.446
  240    H    HIS  34           HN       HIS  34   4.257  10.637   4.177
  241    HA   HIS  34           HA       HIS  34   4.981  13.457   4.047
  242    HB2  HIS  34          2HB       HIS  34   5.008  11.590   1.743
  243    HB3  HIS  34          3HB       HIS  34   4.254  13.158   1.471
  244    HD2  HIS  34          2HD       HIS  34   7.754  11.599   1.781
  245    HE1  HIS  34          1HE       HIS  34   8.256  15.801   1.489
  246    HE2  HIS  34          2HE       HIS  34   9.395  13.557   1.379
  247    H    ARG  35           HN       ARG  35   2.713  11.576   2.081
  248    HA   ARG  35           HA       ARG  35   0.400  11.731   3.487
  249    HB2  ARG  35          2HB       ARG  35   1.242  14.386   2.590
  250    HB3  ARG  35          3HB       ARG  35  -0.390  13.968   2.085
  251    HG2  ARG  35          2HG       ARG  35  -0.028  13.251   4.830
  252    HG3  ARG  35          3HG       ARG  35   0.456  14.930   4.581
  253    HD2  ARG  35          2HD       ARG  35  -1.707  15.323   3.424
  254    HD3  ARG  35          3HD       ARG  35  -2.184  13.676   3.838
  255    HE   ARG  35           HE       ARG  35  -1.511  14.796   6.227
  256   HH11  ARG  35          1HH1      ARG  35  -3.703  15.644   3.660
  257   HH12  ARG  35          2HH1      ARG  35  -4.830  16.440   4.709
  258   HH21  ARG  35          1HH2      ARG  35  -2.987  15.840   7.619
  259   HH22  ARG  35          2HH2      ARG  35  -4.422  16.551   6.960
  260    H    ASN  36           HN       ASN  36   2.016  12.027   0.451
  261    HA   ASN  36           HA       ASN  36  -0.326  11.442  -1.136
  262    HB2  ASN  36          2HB       ASN  36   1.477  11.181  -2.970
  263    HB3  ASN  36          3HB       ASN  36   1.218  12.782  -2.284
  264   HD21  ASN  36          1HD2      ASN  36   3.401  10.175  -2.698
  265   HD22  ASN  36          2HD2      ASN  36   4.762  10.897  -1.916
  266    H    CYS  37           HN       CYS  37  -0.200   9.580  -2.725
  267    HA   CYS  37           HA       CYS  37   0.826   7.181  -1.350
  268    HB2  CYS  37          2HB       CYS  37  -1.294   6.533  -3.167
  269    HB3  CYS  37          3HB       CYS  37  -1.224   6.293  -1.425
  270    HA   PRO  38           HA       PRO  38   3.095   6.102  -4.948
  271    HB2  PRO  38          2HB       PRO  38   2.894   3.395  -4.930
  272    HB3  PRO  38          3HB       PRO  38   3.884   4.292  -3.772
  273    HG2  PRO  38          2HG       PRO  38   1.137   3.150  -3.434
  274    HG3  PRO  38          3HG       PRO  38   2.507   3.120  -2.309
  275    HD2  PRO  38          2HD       PRO  38   0.457   4.871  -2.062
  276    HD3  PRO  38          3HD       PRO  38   2.119   5.273  -1.581
  277    H    ILE  39           HN       ILE  39  -0.173   4.863  -4.640
  278    HA   ILE  39           HA       ILE  39  -0.376   4.003  -7.370
  279    HB   ILE  39           HB       ILE  39  -2.413   4.384  -5.186
  280   HG12  ILE  39          2HG1      ILE  39  -0.665   2.363  -5.587
  281   HG13  ILE  39          3HG1      ILE  39  -2.249   2.142  -4.853
  282   HG21  ILE  39          1HG2      ILE  39  -3.725   4.890  -7.024
  283   HG22  ILE  39          2HG2      ILE  39  -2.826   3.815  -8.092
  284   HG23  ILE  39          3HG2      ILE  39  -3.926   3.144  -6.888
  285   HD11  ILE  39          1HD1      ILE  39  -3.122   1.145  -6.720
  286   HD12  ILE  39          2HD1      ILE  39  -1.977   1.928  -7.808
  287   HD13  ILE  39          3HD1      ILE  39  -1.449   0.591  -6.785
  288    H    CYS  40           HN       CYS  40  -0.622   6.995  -5.753
  289    HA   CYS  40           HA       CYS  40  -2.366   8.226  -7.712
  290    HB2  CYS  40          2HB       CYS  40  -1.164   8.992  -5.131
  291    HB3  CYS  40          3HB       CYS  40  -1.316  10.306  -6.293
  292    H    ARG  41           HN       ARG  41   0.904   7.477  -7.493
  293    HA   ARG  41           HA       ARG  41   2.163   9.682  -8.652
  294    HB2  ARG  41          2HB       ARG  41   2.760   6.765  -8.488
  295    HB3  ARG  41          3HB       ARG  41   3.697   7.739  -9.614
  296    HG2  ARG  41          2HG       ARG  41   3.994   9.291  -7.514
  297    HG3  ARG  41          3HG       ARG  41   3.639   7.798  -6.644
  298    HD2  ARG  41          2HD       ARG  41   5.468   7.054  -8.600
  299    HD3  ARG  41          3HD       ARG  41   6.052   8.613  -8.019
  300    HE   ARG  41           HE       ARG  41   6.590   7.629  -6.020
  301   HH11  ARG  41          1HH1      ARG  41   4.502   5.505  -7.821
  302   HH12  ARG  41          2HH1      ARG  41   4.701   4.173  -6.731
  303   HH21  ARG  41          1HH2      ARG  41   6.861   5.883  -4.578
  304   HH22  ARG  41          2HH2      ARG  41   6.043   4.389  -4.887
  305    H    LEU  42           HN       LEU  42   0.464   6.966 -10.130
  306    HA   LEU  42           HA       LEU  42   0.521   8.423 -12.685
  307    HB2  LEU  42          2HB       LEU  42   0.366   5.987 -13.649
  308    HB3  LEU  42          3HB       LEU  42   1.921   6.722 -13.265
  309    HG   LEU  42           HG       LEU  42   0.712   5.173 -11.079
  310   HD11  LEU  42          1HD1      LEU  42   1.088   3.026 -11.982
  311   HD12  LEU  42          2HD1      LEU  42   1.841   3.686 -13.434
  312   HD13  LEU  42          3HD1      LEU  42   0.109   3.888 -13.169
  313   HD21  LEU  42          1HD2      LEU  42   3.383   4.525 -12.075
  314   HD22  LEU  42          2HD2      LEU  42   2.852   4.971 -10.453
  315   HD23  LEU  42          3HD2      LEU  42   3.165   6.224 -11.654
  Start of MODEL    4
    1    H1   GLU   1           HN       GLU   1 -14.295  -7.314   3.316
    2    HA   GLU   1           HA       GLU   1 -13.511  -4.728   4.485
    3    HB2  GLU   1          2HB       GLU   1 -12.150  -7.423   4.600
    4    HB3  GLU   1          3HB       GLU   1 -11.434  -5.934   5.201
    5    HG2  GLU   1          2HG       GLU   1 -13.371  -5.695   6.740
    6    HG3  GLU   1          3HG       GLU   1 -13.927  -7.282   6.208
    7    H    GLU   2           HN       GLU   2 -12.006  -3.472   3.497
    8    HA   GLU   2           HA       GLU   2 -11.577  -3.752   0.739
    9    HB2  GLU   2          2HB       GLU   2  -9.673  -1.999   1.321
   10    HB3  GLU   2          3HB       GLU   2 -11.376  -1.560   1.360
   11    HG2  GLU   2          2HG       GLU   2 -10.328  -2.634   3.878
   12    HG3  GLU   2          3HG       GLU   2  -9.613  -1.107   3.364
   13    H    GLU   3           HN       GLU   3  -9.397  -3.795  -0.314
   14    HA   GLU   3           HA       GLU   3  -7.494  -5.526   1.098
   15    HB2  GLU   3          2HB       GLU   3  -8.279  -5.998  -1.775
   16    HB3  GLU   3          3HB       GLU   3  -7.291  -7.024  -0.745
   17    HG2  GLU   3          2HG       GLU   3  -9.487  -7.089   0.710
   18    HG3  GLU   3          3HG       GLU   3 -10.239  -6.699  -0.836
   19    H    CYS   4           HN       CYS   4  -5.337  -5.381   0.383
   20    HA   CYS   4           HA       CYS   4  -4.246  -2.984  -0.103
   21    HB2  CYS   4          2HB       CYS   4  -3.012  -5.147   0.282
   22    HB3  CYS   4          3HB       CYS   4  -3.190  -5.480  -1.437
   23    H    CYS   5           HN       CYS   5  -4.077  -1.535  -1.703
   24    HA   CYS   5           HA       CYS   5  -5.600  -1.905  -4.097
   25    HB2  CYS   5          2HB       CYS   5  -4.251   0.301  -2.730
   26    HB3  CYS   5          3HB       CYS   5  -4.109   0.391  -4.481
   27    HG   CYS   5           HG       CYS   5  -6.247   1.998  -3.669
   28    H    ILE   6           HN       ILE   6  -2.452  -2.692  -3.208
   29    HA   ILE   6           HA       ILE   6  -1.456  -2.557  -5.964
   30    HB   ILE   6           HB       ILE   6   0.080  -3.229  -3.453
   31   HG12  ILE   6          2HG1      ILE   6  -0.414  -0.634  -4.886
   32   HG13  ILE   6          3HG1      ILE   6  -0.517  -0.981  -3.163
   33   HG21  ILE   6          1HG2      ILE   6   1.473  -2.211  -5.827
   34   HG22  ILE   6          2HG2      ILE   6   1.912  -3.511  -4.721
   35   HG23  ILE   6          3HG2      ILE   6   0.752  -3.808  -6.015
   36   HD11  ILE   6          1HD1      ILE   6   2.103  -1.479  -3.648
   37   HD12  ILE   6          2HD1      ILE   6   1.772  -0.176  -4.790
   38   HD13  ILE   6          3HD1      ILE   6   1.456   0.056  -3.072
   39    H    CYS   7           HN       CYS   7  -0.954  -4.857  -3.290
   40    HA   CYS   7           HA       CYS   7  -1.016  -7.050  -5.214
   41    HB2  CYS   7          2HB       CYS   7  -0.055  -8.406  -3.471
   42    HB3  CYS   7          3HB       CYS   7   0.821  -6.880  -3.526
   43    H    MET   8           HN       MET   8  -3.468  -6.186  -5.193
   44    HA   MET   8           HA       MET   8  -5.264  -6.835  -3.223
   45    HB2  MET   8          2HB       MET   8  -6.897  -7.246  -5.118
   46    HB3  MET   8          3HB       MET   8  -6.069  -5.694  -5.137
   47    HG2  MET   8          2HG       MET   8  -4.933  -6.164  -7.028
   48    HG3  MET   8          3HG       MET   8  -4.792  -7.879  -6.649
   49    HE1  MET   8          1HE       MET   8  -5.703  -6.004  -9.382
   50    HE2  MET   8          2HE       MET   8  -7.433  -6.110  -9.709
   51    HE3  MET   8          3HE       MET   8  -6.844  -5.089  -8.396
   52    H    ASP   9           HN       ASP   9  -4.696  -8.700  -2.107
   53    HA   ASP   9           HA       ASP   9  -5.562 -11.173  -3.385
   54    HB2  ASP   9          2HB       ASP   9  -3.017 -10.896  -3.601
   55    HB3  ASP   9          3HB       ASP   9  -2.966 -11.141  -1.857
   56    H    GLY  10           HN       GLY  10  -4.276  -9.714  -0.403
   57    HA2  GLY  10          1HA       GLY  10  -5.957 -11.544   1.163
   58    HA3  GLY  10          2HA       GLY  10  -4.617 -10.595   1.789
   59    H    ARG  11           HN       ARG  11  -5.029  -8.679   2.723
   60    HA   ARG  11           HA       ARG  11  -7.576  -7.347   2.216
   61    HB2  ARG  11          2HB       ARG  11  -8.059  -7.130   4.616
   62    HB3  ARG  11          3HB       ARG  11  -8.047  -8.813   4.107
   63    HG2  ARG  11          2HG       ARG  11  -5.604  -7.558   5.293
   64    HG3  ARG  11          3HG       ARG  11  -6.904  -8.170   6.319
   65    HD2  ARG  11          2HD       ARG  11  -6.690 -10.338   4.977
   66    HD3  ARG  11          3HD       ARG  11  -5.160  -9.681   4.396
   67    HE   ARG  11           HE       ARG  11  -5.659 -10.833   6.945
   68   HH11  ARG  11          1HH1      ARG  11  -3.829  -8.347   5.334
   69   HH12  ARG  11          2HH1      ARG  11  -2.552  -8.346   6.505
   70   HH21  ARG  11          1HH2      ARG  11  -3.984 -10.841   8.493
   71   HH22  ARG  11          2HH2      ARG  11  -2.641  -9.765   8.301
   72    H    ALA  12           HN       ALA  12  -7.634  -5.230   3.577
   73    HA   ALA  12           HA       ALA  12  -5.036  -3.926   3.187
   74    HB1  ALA  12          1HB       ALA  12  -6.449  -1.813   3.382
   75    HB2  ALA  12          2HB       ALA  12  -6.689  -2.814   1.950
   76    HB3  ALA  12          3HB       ALA  12  -7.850  -2.880   3.277
   77    H    ASP  13           HN       ASP  13  -3.819  -3.736   4.943
   78    HA   ASP  13           HA       ASP  13  -4.969  -3.801   7.590
   79    HB2  ASP  13          2HB       ASP  13  -2.562  -4.611   6.555
   80    HB3  ASP  13          3HB       ASP  13  -2.122  -3.109   7.362
   81    H    LEU  14           HN       LEU  14  -4.418  -1.412   5.327
   82    HA   LEU  14           HA       LEU  14  -4.953   0.666   7.247
   83    HB2  LEU  14          2HB       LEU  14  -2.285   0.126   6.615
   84    HB3  LEU  14          3HB       LEU  14  -2.707   1.551   5.668
   85    HG   LEU  14           HG       LEU  14  -3.545   1.725   8.462
   86   HD11  LEU  14          1HD1      LEU  14  -0.953   2.322   8.882
   87   HD12  LEU  14          2HD1      LEU  14  -0.785   0.944   7.796
   88   HD13  LEU  14          3HD1      LEU  14  -1.686   0.773   9.302
   89   HD21  LEU  14          1HD2      LEU  14  -2.231   3.896   8.178
   90   HD22  LEU  14          2HD2      LEU  14  -3.662   3.676   7.170
   91   HD23  LEU  14          3HD2      LEU  14  -2.055   3.427   6.486
   92    H    ILE  15           HN       ILE  15  -5.756   2.552   6.306
   93    HA   ILE  15           HA       ILE  15  -6.068   2.498   3.378
   94    HB   ILE  15           HB       ILE  15  -8.223   3.316   5.329
   95   HG12  ILE  15          2HG1      ILE  15  -9.312   1.227   4.098
   96   HG13  ILE  15          3HG1      ILE  15  -7.626   0.747   3.932
   97   HG21  ILE  15          1HG2      ILE  15  -9.302   2.818   2.806
   98   HG22  ILE  15          2HG2      ILE  15  -9.081   4.386   3.580
   99   HG23  ILE  15          3HG2      ILE  15  -7.835   3.749   2.507
  100   HD11  ILE  15          1HD1      ILE  15  -8.863   1.483   6.567
  101   HD12  ILE  15          2HD1      ILE  15  -8.839  -0.163   5.931
  102   HD13  ILE  15          3HD1      ILE  15  -7.324   0.674   6.273
  103    H    LEU  16           HN       LEU  16  -4.380   4.027   3.214
  104    HA   LEU  16           HA       LEU  16  -3.918   6.334   4.532
  105    HB2  LEU  16          2HB       LEU  16  -3.779   5.702   1.611
  106    HB3  LEU  16          3HB       LEU  16  -3.365   7.313   2.195
  107    HG   LEU  16           HG       LEU  16  -2.011   4.768   3.084
  108   HD11  LEU  16          1HD1      LEU  16  -0.291   6.488   1.634
  109   HD12  LEU  16          2HD1      LEU  16  -1.737   6.221   0.660
  110   HD13  LEU  16          3HD1      LEU  16  -0.795   4.845   1.236
  111   HD21  LEU  16          1HD2      LEU  16  -1.912   6.519   4.752
  112   HD22  LEU  16          2HD2      LEU  16  -1.364   7.679   3.541
  113   HD23  LEU  16          3HD2      LEU  16  -0.332   6.321   3.995
  114    HA   PRO  17           HA       PRO  17  -7.297   9.107   4.141
  115    HB2  PRO  17          2HB       PRO  17  -6.033  11.500   3.930
  116    HB3  PRO  17          3HB       PRO  17  -6.101  10.580   5.438
  117    HG2  PRO  17          2HG       PRO  17  -3.891  10.760   3.426
  118    HG3  PRO  17          3HG       PRO  17  -3.798  10.793   5.196
  119    HD2  PRO  17          2HD       PRO  17  -3.253   8.570   3.750
  120    HD3  PRO  17          3HD       PRO  17  -3.967   8.502   5.374
  121    H    CYS  18           HN       CYS  18  -5.367   8.370   1.577
  122    HA   CYS  18           HA       CYS  18  -6.630  10.300  -0.239
  123    HB2  CYS  18          2HB       CYS  18  -4.222  10.197  -0.451
  124    HB3  CYS  18          3HB       CYS  18  -4.273   8.446  -0.627
  125    H    ALA  19           HN       ALA  19  -7.212   7.313   0.968
  126    HA   ALA  19           HA       ALA  19  -8.830   5.789   0.388
  127    HB1  ALA  19          1HB       ALA  19  -9.599   7.835  -1.125
  128    HB2  ALA  19          2HB       ALA  19  -9.075   6.743  -2.408
  129    HB3  ALA  19          3HB       ALA  19 -10.321   6.232  -1.269
  130    H    HIS  20           HN       HIS  20  -5.980   5.468   0.041
  131    HA   HIS  20           HA       HIS  20  -6.015   3.358  -2.009
  132    HB2  HIS  20          2HB       HIS  20  -3.894   5.439  -1.514
  133    HB3  HIS  20          3HB       HIS  20  -3.525   3.915  -2.317
  134    HD2  HIS  20          2HD       HIS  20  -6.374   3.970  -4.156
  135    HE1  HIS  20          1HE       HIS  20  -4.546   7.438  -5.777
  136    HE2  HIS  20          2HE       HIS  20  -6.369   5.724  -6.058
  137    H    SER  21           HN       SER  21  -6.173   1.617  -0.696
  138    HA   SER  21           HA       SER  21  -4.862   1.384   1.810
  139    HB2  SER  21          2HB       SER  21  -5.407  -1.194   1.161
  140    HB3  SER  21          3HB       SER  21  -6.600  -0.079   1.828
  141    HG   SER  21           HG       SER  21  -7.620  -0.108  -0.006
  142    H    PHE  22           HN       PHE  22  -3.132   0.001   2.398
  143    HA   PHE  22           HA       PHE  22  -1.490  -1.173   0.328
  144    HB2  PHE  22          2HB       PHE  22  -0.453   1.118   2.010
  145    HB3  PHE  22          3HB       PHE  22   0.537   0.102   0.966
  146    HD1  PHE  22          1HD       PHE  22   0.046   0.102  -1.516
  147    HD2  PHE  22          2HD       PHE  22  -1.565   2.987   1.167
  148    HE1  PHE  22          1HE       PHE  22  -0.412   1.602  -3.412
  149    HE2  PHE  22          2HE       PHE  22  -2.027   4.491  -0.725
  150    HZ   PHE  22           HZ       PHE  22  -1.452   3.800  -3.018
  151    H    CYS  23           HN       CYS  23  -1.868  -3.102   1.439
  152    HA   CYS  23           HA       CYS  23  -1.775  -3.735   4.051
  153    HB2  CYS  23          2HB       CYS  23  -1.249  -5.936   3.460
  154    HB3  CYS  23          3HB       CYS  23  -1.951  -5.280   1.985
  155    H    GLN  24           HN       GLN  24  -0.231  -4.273   5.610
  156    HA   GLN  24           HA       GLN  24   1.896  -2.639   6.001
  157    HB2  GLN  24          2HB       GLN  24   1.202  -5.350   6.990
  158    HB3  GLN  24          3HB       GLN  24   2.852  -4.807   7.267
  159    HG2  GLN  24          2HG       GLN  24   0.641  -2.959   7.973
  160    HG3  GLN  24          3HG       GLN  24   0.921  -4.360   9.005
  161   HE21  GLN  24          1HE2      GLN  24   1.867  -1.218   8.245
  162   HE22  GLN  24          2HE2      GLN  24   3.281  -1.135   9.234
  163    H    LYS  25           HN       LYS  25   2.249  -5.983   4.803
  164    HA   LYS  25           HA       LYS  25   4.873  -6.133   4.254
  165    HB2  LYS  25          2HB       LYS  25   2.951  -6.961   2.101
  166    HB3  LYS  25          3HB       LYS  25   4.412  -7.773   2.648
  167    HG2  LYS  25          2HG       LYS  25   3.161  -8.119   4.857
  168    HG3  LYS  25          3HG       LYS  25   1.713  -7.694   3.942
  169    HD2  LYS  25          2HD       LYS  25   3.387  -9.657   2.585
  170    HD3  LYS  25          3HD       LYS  25   2.810 -10.211   4.158
  171    HE2  LYS  25          2HE       LYS  25   1.196 -10.873   2.541
  172    HE3  LYS  25          3HE       LYS  25   0.505  -9.526   3.446
  173    HZ1  LYS  25          1HZ       LYS  25   0.144  -8.569   1.493
  174    HZ2  LYS  25          2HZ       LYS  25   1.053  -9.730   0.662
  175    HZ3  LYS  25          3HZ       LYS  25   1.817  -8.375   1.326
  176    H    CYS  26           HN       CYS  26   2.510  -4.328   2.362
  177    HA   CYS  26           HA       CYS  26   4.511  -3.504   0.429
  178    HB2  CYS  26          2HB       CYS  26   1.562  -2.995   0.745
  179    HB3  CYS  26          3HB       CYS  26   2.526  -2.080  -0.410
  180    H    ILE  27           HN       ILE  27   2.839  -2.213   3.218
  181    HA   ILE  27           HA       ILE  27   3.548   0.504   2.845
  182    HB   ILE  27           HB       ILE  27   2.110  -0.999   4.777
  183   HG12  ILE  27          2HG1      ILE  27   2.524   1.992   4.612
  184   HG13  ILE  27          3HG1      ILE  27   1.436   1.088   3.564
  185   HG21  ILE  27          1HG2      ILE  27   2.851   0.002   6.862
  186   HG22  ILE  27          2HG2      ILE  27   4.152  -0.937   6.134
  187   HG23  ILE  27          3HG2      ILE  27   4.166   0.822   6.020
  188   HD11  ILE  27          1HD1      ILE  27   0.398   0.279   5.806
  189   HD12  ILE  27          2HD1      ILE  27   1.189   1.712   6.464
  190   HD13  ILE  27          3HD1      ILE  27   0.004   1.875   5.169
  191    H    ASP  28           HN       ASP  28   5.302  -2.242   3.924
  192    HA   ASP  28           HA       ASP  28   7.214  -0.992   5.577
  193    HB2  ASP  28          2HB       ASP  28   6.725  -3.518   5.191
  194    HB3  ASP  28          3HB       ASP  28   7.867  -3.367   3.859
  195    H    LYS  29           HN       LYS  29   6.903  -1.273   2.116
  196    HA   LYS  29           HA       LYS  29   9.586  -0.244   1.655
  197    HB2  LYS  29          2HB       LYS  29   7.546  -1.611   0.071
  198    HB3  LYS  29          3HB       LYS  29   8.298  -0.276  -0.791
  199    HG2  LYS  29          2HG       LYS  29  10.056  -1.538  -1.232
  200    HG3  LYS  29          3HG       LYS  29  10.349  -1.759   0.495
  201    HD2  LYS  29          2HD       LYS  29  10.095  -3.939  -0.247
  202    HD3  LYS  29          3HD       LYS  29   8.471  -3.545   0.323
  203    HE2  LYS  29          2HE       LYS  29   7.876  -2.937  -2.022
  204    HE3  LYS  29          3HE       LYS  29   9.459  -3.527  -2.527
  205    HZ1  LYS  29          1HZ       LYS  29   8.089  -5.444  -0.929
  206    HZ2  LYS  29          2HZ       LYS  29   8.735  -5.609  -2.483
  207    HZ3  LYS  29          3HZ       LYS  29   7.166  -5.009  -2.278
  208    H    TRP  30           HN       TRP  30   6.247   0.713   0.856
  209    HA   TRP  30           HA       TRP  30   7.013   3.314  -0.031
  210    HB2  TRP  30          2HB       TRP  30   4.283   2.289   0.779
  211    HB3  TRP  30          3HB       TRP  30   4.606   3.768  -0.123
  212    HD1  TRP  30          1HD       TRP  30   3.745   0.235  -0.648
  213    HE1  TRP  30          1HE       TRP  30   4.064  -0.429  -3.115
  214    HE3  TRP  30          3HE       TRP  30   6.436   4.281  -2.237
  215    HZ2  TRP  30          2HZ       TRP  30   5.294   0.623  -5.428
  216    HZ3  TRP  30          3HZ       TRP  30   7.146   4.375  -4.591
  217    HH2  TRP  30          2HH       TRP  30   6.586   2.583  -6.152
  218    H    SER  31           HN       SER  31   4.734   2.593   2.601
  219    HA   SER  31           HA       SER  31   4.285   3.723   4.534
  220    HB2  SER  31          2HB       SER  31   6.870   2.690   4.644
  221    HB3  SER  31          3HB       SER  31   7.041   4.345   5.230
  222    HG   SER  31           HG       SER  31   6.494   2.737   6.858
  223    H    ASP  32           HN       ASP  32   3.310   5.611   3.973
  224    HA   ASP  32           HA       ASP  32   3.066   7.812   3.354
  225    HB2  ASP  32          2HB       ASP  32   4.946   7.687   5.660
  226    HB3  ASP  32          3HB       ASP  32   4.728   9.248   4.872
  227    H    ARG  33           HN       ARG  33   6.414   8.394   4.144
  228    HA   ARG  33           HA       ARG  33   8.253   8.849   2.847
  229    HB2  ARG  33          2HB       ARG  33   7.132   7.053   1.292
  230    HB3  ARG  33          3HB       ARG  33   6.710   8.452   0.313
  231    HG2  ARG  33          2HG       ARG  33   8.725   7.586  -0.561
  232    HG3  ARG  33          3HG       ARG  33   9.146   9.059   0.315
  233    HD2  ARG  33          2HD       ARG  33   9.244   6.820   2.097
  234    HD3  ARG  33          3HD       ARG  33  10.200   6.468   0.658
  235    HE   ARG  33           HE       ARG  33  10.778   8.419   2.697
  236   HH11  ARG  33          1HH1      ARG  33  11.343   7.437  -0.595
  237   HH12  ARG  33          2HH1      ARG  33  12.853   8.277  -0.723
  238   HH21  ARG  33          1HH2      ARG  33  12.764   9.528   2.540
  239   HH22  ARG  33          2HH2      ARG  33  13.661   9.465   1.061
  240    H    HIS  34           HN       HIS  34   5.374   9.909   1.020
  241    HA   HIS  34           HA       HIS  34   6.247  12.687   1.394
  242    HB2  HIS  34          2HB       HIS  34   6.265  11.239  -1.080
  243    HB3  HIS  34          3HB       HIS  34   5.054  12.515  -1.172
  244    HD2  HIS  34          2HD       HIS  34   8.557  12.916   0.592
  245    HE1  HIS  34          1HE       HIS  34   8.296  15.628  -2.661
  246    HE2  HIS  34          2HE       HIS  34   9.714  14.801  -0.751
  247    H    ARG  35           HN       ARG  35   3.997  10.637   2.183
  248    HA   ARG  35           HA       ARG  35   1.898  11.004   3.053
  249    HB2  ARG  35          2HB       ARG  35   2.716  13.544   2.799
  250    HB3  ARG  35          3HB       ARG  35   1.463  13.538   1.565
  251    HG2  ARG  35          2HG       ARG  35  -0.209  12.948   3.155
  252    HG3  ARG  35          3HG       ARG  35   1.005  12.657   4.403
  253    HD2  ARG  35          2HD       ARG  35   0.600  15.334   3.088
  254    HD3  ARG  35          3HD       ARG  35  -0.240  14.848   4.559
  255    HE   ARG  35           HE       ARG  35   2.431  15.772   4.365
  256   HH11  ARG  35          1HH1      ARG  35   0.426  13.490   6.066
  257   HH12  ARG  35          2HH1      ARG  35   1.421  13.475   7.484
  258   HH21  ARG  35          1HH2      ARG  35   3.749  15.760   6.227
  259   HH22  ARG  35          2HH2      ARG  35   3.310  14.767   7.575
  260    H    ASN  36           HN       ASN  36   2.775  11.124  -0.228
  261    HA   ASN  36           HA       ASN  36   0.033  10.673  -1.149
  262    HB2  ASN  36          2HB       ASN  36   1.359  10.612  -3.436
  263    HB3  ASN  36          3HB       ASN  36   0.977  12.143  -2.653
  264   HD21  ASN  36          1HD2      ASN  36   3.480   9.658  -2.240
  265   HD22  ASN  36          2HD2      ASN  36   4.815  10.754  -2.303
  266    H    CYS  37           HN       CYS  37  -0.080   8.973  -2.998
  267    HA   CYS  37           HA       CYS  37   1.343   6.551  -2.101
  268    HB2  CYS  37          2HB       CYS  37  -1.151   6.017  -3.491
  269    HB3  CYS  37          3HB       CYS  37  -0.598   5.441  -1.922
  270    HA   PRO  38           HA       PRO  38   2.816   5.941  -6.189
  271    HB2  PRO  38          2HB       PRO  38   2.780   3.234  -6.385
  272    HB3  PRO  38          3HB       PRO  38   3.948   4.109  -5.389
  273    HG2  PRO  38          2HG       PRO  38   1.416   2.737  -4.573
  274    HG3  PRO  38          3HG       PRO  38   3.002   2.723  -3.779
  275    HD2  PRO  38          2HD       PRO  38   0.960   4.288  -2.931
  276    HD3  PRO  38          3HD       PRO  38   2.661   4.775  -2.786
  277    H    ILE  39           HN       ILE  39  -0.354   5.297  -5.355
  278    HA   ILE  39           HA       ILE  39  -1.126   4.209  -7.945
  279    HB   ILE  39           HB       ILE  39  -2.920   4.974  -5.642
  280   HG12  ILE  39          2HG1      ILE  39  -1.152   3.223  -5.117
  281   HG13  ILE  39          3HG1      ILE  39  -2.823   2.728  -4.874
  282   HG21  ILE  39          1HG2      ILE  39  -4.498   3.419  -6.736
  283   HG22  ILE  39          2HG2      ILE  39  -4.095   4.809  -7.743
  284   HG23  ILE  39          3HG2      ILE  39  -3.358   3.242  -8.069
  285   HD11  ILE  39          1HD1      ILE  39  -2.704   1.138  -6.439
  286   HD12  ILE  39          2HD1      ILE  39  -1.755   2.142  -7.535
  287   HD13  ILE  39          3HD1      ILE  39  -0.962   1.290  -6.209
  288    H    CYS  40           HN       CYS  40  -0.717   7.227  -6.477
  289    HA   CYS  40           HA       CYS  40  -2.453   8.507  -8.487
  290    HB2  CYS  40          2HB       CYS  40  -2.080  10.500  -6.723
  291    HB3  CYS  40          3HB       CYS  40  -3.408   9.351  -6.601
  292    H    ARG  41           HN       ARG  41   0.616   8.756  -6.731
  293    HA   ARG  41           HA       ARG  41   1.772  10.962  -7.777
  294    HB2  ARG  41          2HB       ARG  41   2.760   8.384  -6.818
  295    HB3  ARG  41          3HB       ARG  41   3.847   9.151  -7.965
  296    HG2  ARG  41          2HG       ARG  41   3.282  11.244  -6.360
  297    HG3  ARG  41          3HG       ARG  41   3.157   9.909  -5.212
  298    HD2  ARG  41          2HD       ARG  41   5.374   9.950  -5.046
  299    HD3  ARG  41          3HD       ARG  41   5.449   9.375  -6.710
  300    HE   ARG  41           HE       ARG  41   5.163  12.069  -6.955
  301   HH11  ARG  41          1HH1      ARG  41   7.393   9.995  -5.267
  302   HH12  ARG  41          2HH1      ARG  41   8.717  11.106  -5.384
  303   HH21  ARG  41          1HH2      ARG  41   6.898  13.540  -7.115
  304   HH22  ARG  41          2HH2      ARG  41   8.435  13.123  -6.434
  305    H    LEU  42           HN       LEU  42   1.442   7.843  -9.413
  306    HA   LEU  42           HA       LEU  42   2.450   9.078 -11.884
  307    HB2  LEU  42          2HB       LEU  42   2.128   6.349 -12.329
  308    HB3  LEU  42          3HB       LEU  42   3.639   7.219 -12.073
  309    HG   LEU  42           HG       LEU  42   2.033   6.073  -9.801
  310   HD11  LEU  42          1HD1      LEU  42   4.351   4.526 -10.360
  311   HD12  LEU  42          2HD1      LEU  42   3.373   4.619 -11.824
  312   HD13  LEU  42          3HD1      LEU  42   2.663   4.017 -10.326
  313   HD21  LEU  42          1HD2      LEU  42   3.887   6.482  -8.491
  314   HD22  LEU  42          2HD2      LEU  42   3.899   7.874  -9.574
  315   HD23  LEU  42          3HD2      LEU  42   4.987   6.517  -9.869
  Start of MODEL    5
    1    H1   GLU   1           HN       GLU   1 -15.076  -6.865   3.724
    2    HA   GLU   1           HA       GLU   1 -14.115  -4.409   4.449
    3    HB2  GLU   1          2HB       GLU   1 -12.965  -7.141   4.386
    4    HB3  GLU   1          3HB       GLU   1 -11.824  -5.817   4.579
    5    HG2  GLU   1          2HG       GLU   1 -13.602  -5.079   6.413
    6    HG3  GLU   1          3HG       GLU   1 -13.906  -6.815   6.426
    7    H    GLU   2           HN       GLU   2 -11.514  -4.027   3.952
    8    HA   GLU   2           HA       GLU   2 -11.486  -3.384   1.086
    9    HB2  GLU   2          2HB       GLU   2  -9.679  -2.186   3.176
   10    HB3  GLU   2          3HB       GLU   2 -10.061  -1.559   1.578
   11    HG2  GLU   2          2HG       GLU   2 -11.753  -1.563   4.045
   12    HG3  GLU   2          3HG       GLU   2 -11.254  -0.201   3.043
   13    H    GLU   3           HN       GLU   3  -9.613  -3.727  -0.158
   14    HA   GLU   3           HA       GLU   3  -7.590  -5.496   1.034
   15    HB2  GLU   3          2HB       GLU   3  -8.798  -5.909  -1.705
   16    HB3  GLU   3          3HB       GLU   3  -7.619  -6.938  -0.903
   17    HG2  GLU   3          2HG       GLU   3  -9.705  -6.851   0.890
   18    HG3  GLU   3          3HG       GLU   3 -10.512  -6.888  -0.676
   19    H    CYS   4           HN       CYS   4  -5.519  -5.364   0.146
   20    HA   CYS   4           HA       CYS   4  -4.594  -2.895  -0.627
   21    HB2  CYS   4          2HB       CYS   4  -3.286  -4.986   0.135
   22    HB3  CYS   4          3HB       CYS   4  -3.258  -5.422  -1.570
   23    H    CYS   5           HN       CYS   5  -4.293  -1.810  -2.507
   24    HA   CYS   5           HA       CYS   5  -5.655  -2.870  -4.856
   25    HB2  CYS   5          2HB       CYS   5  -6.261  -0.624  -4.224
   26    HB3  CYS   5          3HB       CYS   5  -4.574  -0.124  -4.205
   27    HG   CYS   5           HG       CYS   5  -6.664  -0.510  -6.822
   28    H    ILE   6           HN       ILE   6  -2.601  -2.971  -3.649
   29    HA   ILE   6           HA       ILE   6  -1.314  -2.785  -6.284
   30    HB   ILE   6           HB       ILE   6  -0.249  -2.602  -3.488
   31   HG12  ILE   6          2HG1      ILE   6   0.139  -0.925  -5.977
   32   HG13  ILE   6          3HG1      ILE   6  -0.947  -0.546  -4.644
   33   HG21  ILE   6          1HG2      ILE   6   2.014  -2.480  -4.946
   34   HG22  ILE   6          2HG2      ILE   6   1.444  -3.940  -4.138
   35   HG23  ILE   6          3HG2      ILE   6   1.119  -3.698  -5.854
   36   HD11  ILE   6          1HD1      ILE   6   1.980  -0.271  -4.847
   37   HD12  ILE   6          2HD1      ILE   6   0.794   0.730  -4.008
   38   HD13  ILE   6          3HD1      ILE   6   1.342  -0.784  -3.286
   39    H    CYS   7           HN       CYS   7  -1.169  -4.823  -3.357
   40    HA   CYS   7           HA       CYS   7   0.035  -7.006  -4.760
   41    HB2  CYS   7          2HB       CYS   7  -1.343  -7.196  -2.087
   42    HB3  CYS   7          3HB       CYS   7   0.000  -8.161  -2.694
   43    H    MET   8           HN       MET   8  -3.181  -6.521  -3.300
   44    HA   MET   8           HA       MET   8  -5.236  -7.231  -4.045
   45    HB2  MET   8          2HB       MET   8  -3.781  -7.429  -6.343
   46    HB3  MET   8          3HB       MET   8  -4.248  -9.106  -6.090
   47    HG2  MET   8          2HG       MET   8  -6.605  -7.842  -5.663
   48    HG3  MET   8          3HG       MET   8  -5.864  -6.789  -6.866
   49    HE1  MET   8          1HE       MET   8  -4.185  -8.159  -8.403
   50    HE2  MET   8          2HE       MET   8  -4.487  -9.794  -8.990
   51    HE3  MET   8          3HE       MET   8  -5.237  -8.415  -9.795
   52    H    ASP   9           HN       ASP   9  -4.330  -8.323  -1.862
   53    HA   ASP   9           HA       ASP   9  -5.625 -10.686  -1.493
   54    HB2  ASP   9          2HB       ASP   9  -3.150 -11.118  -2.926
   55    HB3  ASP   9          3HB       ASP   9  -3.126 -11.957  -1.378
   56    H    GLY  10           HN       GLY  10  -3.002  -8.597  -0.675
   57    HA2  GLY  10          1HA       GLY  10  -2.628  -9.721   1.972
   58    HA3  GLY  10          2HA       GLY  10  -1.831  -8.298   1.317
   59    H    ARG  11           HN       ARG  11  -5.285  -8.585   1.140
   60    HA   ARG  11           HA       ARG  11  -6.903  -7.157   1.910
   61    HB2  ARG  11          2HB       ARG  11  -5.549  -7.632   4.567
   62    HB3  ARG  11          3HB       ARG  11  -7.248  -7.282   4.278
   63    HG2  ARG  11          2HG       ARG  11  -5.738  -9.814   3.773
   64    HG3  ARG  11          3HG       ARG  11  -7.210  -9.562   4.715
   65    HD2  ARG  11          2HD       ARG  11  -8.255  -8.855   2.464
   66    HD3  ARG  11          3HD       ARG  11  -6.863  -9.660   1.740
   67    HE   ARG  11           HE       ARG  11  -9.120 -10.906   3.029
   68   HH11  ARG  11          1HH1      ARG  11  -5.802 -11.268   2.037
   69   HH12  ARG  11          2HH1      ARG  11  -5.869 -12.999   1.990
   70   HH21  ARG  11          1HH2      ARG  11  -9.220 -13.184   2.971
   71   HH22  ARG  11          2HH2      ARG  11  -7.814 -14.088   2.520
   72    H    ALA  12           HN       ALA  12  -6.923  -5.417   4.121
   73    HA   ALA  12           HA       ALA  12  -4.805  -3.472   3.538
   74    HB1  ALA  12          1HB       ALA  12  -6.530  -1.662   3.475
   75    HB2  ALA  12          2HB       ALA  12  -6.575  -2.769   2.103
   76    HB3  ALA  12          3HB       ALA  12  -7.762  -2.922   3.397
   77    H    ASP  13           HN       ASP  13  -3.919  -2.783   5.363
   78    HA   ASP  13           HA       ASP  13  -5.493  -2.959   7.845
   79    HB2  ASP  13          2HB       ASP  13  -3.190  -4.205   7.423
   80    HB3  ASP  13          3HB       ASP  13  -2.524  -2.640   7.884
   81    H    LEU  14           HN       LEU  14  -4.038  -0.803   5.657
   82    HA   LEU  14           HA       LEU  14  -4.520   1.417   7.517
   83    HB2  LEU  14          2HB       LEU  14  -2.002   0.616   6.388
   84    HB3  LEU  14          3HB       LEU  14  -2.440   2.224   5.813
   85    HG   LEU  14           HG       LEU  14  -2.410   3.127   7.981
   86   HD11  LEU  14          1HD1      LEU  14  -3.577   1.702   9.357
   87   HD12  LEU  14          2HD1      LEU  14  -1.930   1.474   9.942
   88   HD13  LEU  14          3HD1      LEU  14  -2.654   0.285   8.858
   89   HD21  LEU  14          1HD2      LEU  14  -0.183   2.551   6.985
   90   HD22  LEU  14          2HD2      LEU  14  -0.171   1.110   8.004
   91   HD23  LEU  14          3HD2      LEU  14  -0.191   2.714   8.741
   92    H    ILE  15           HN       ILE  15  -5.913   2.820   6.693
   93    HA   ILE  15           HA       ILE  15  -6.327   2.853   3.784
   94    HB   ILE  15           HB       ILE  15  -8.139   3.867   5.979
   95   HG12  ILE  15          2HG1      ILE  15  -8.312   1.399   4.236
   96   HG13  ILE  15          3HG1      ILE  15  -7.982   1.427   5.965
   97   HG21  ILE  15          1HG2      ILE  15  -8.814   3.505   3.072
   98   HG22  ILE  15          2HG2      ILE  15  -9.749   4.331   4.317
   99   HG23  ILE  15          3HG2      ILE  15  -8.240   5.035   3.737
  100   HD11  ILE  15          1HD1      ILE  15 -10.366   2.817   5.684
  101   HD12  ILE  15          2HD1      ILE  15 -10.499   1.454   4.573
  102   HD13  ILE  15          3HD1      ILE  15 -10.155   1.171   6.279
  103    H    LEU  16           HN       LEU  16  -6.014   4.655   2.601
  104    HA   LEU  16           HA       LEU  16  -4.763   6.924   3.922
  105    HB2  LEU  16          2HB       LEU  16  -5.029   6.021   1.082
  106    HB3  LEU  16          3HB       LEU  16  -4.548   7.676   1.450
  107    HG   LEU  16           HG       LEU  16  -3.063   5.121   1.981
  108   HD11  LEU  16          1HD1      LEU  16  -1.358   6.099   0.694
  109   HD12  LEU  16          2HD1      LEU  16  -2.084   7.702   0.795
  110   HD13  LEU  16          3HD1      LEU  16  -2.853   6.446  -0.174
  111   HD21  LEU  16          1HD2      LEU  16  -2.819   7.756   3.381
  112   HD22  LEU  16          2HD2      LEU  16  -1.399   6.738   3.128
  113   HD23  LEU  16          3HD2      LEU  16  -2.772   6.124   4.051
  114    HA   PRO  17           HA       PRO  17  -8.187   9.664   3.750
  115    HB2  PRO  17          2HB       PRO  17  -6.982  12.022   3.155
  116    HB3  PRO  17          3HB       PRO  17  -6.836  11.241   4.734
  117    HG2  PRO  17          2HG       PRO  17  -4.923  11.229   2.431
  118    HG3  PRO  17          3HG       PRO  17  -4.589  11.421   4.162
  119    HD2  PRO  17          2HD       PRO  17  -4.230   9.074   2.862
  120    HD3  PRO  17          3HD       PRO  17  -4.716   9.156   4.567
  121    H    CYS  18           HN       CYS  18  -6.621   8.686   1.024
  122    HA   CYS  18           HA       CYS  18  -8.319  10.335  -0.732
  123    HB2  CYS  18          2HB       CYS  18  -6.694   9.858  -2.526
  124    HB3  CYS  18          3HB       CYS  18  -5.949  10.697  -1.169
  125    H    ALA  19           HN       ALA  19  -8.262   7.433   0.687
  126    HA   ALA  19           HA       ALA  19  -9.607   5.601   0.329
  127    HB1  ALA  19          1HB       ALA  19 -10.053   6.398  -2.522
  128    HB2  ALA  19          2HB       ALA  19 -11.109   5.493  -1.437
  129    HB3  ALA  19          3HB       ALA  19 -10.891   7.229  -1.211
  130    H    HIS  20           HN       HIS  20  -6.853   5.504   0.122
  131    HA   HIS  20           HA       HIS  20  -6.507   3.412  -1.916
  132    HB2  HIS  20          2HB       HIS  20  -4.752   5.770  -1.339
  133    HB3  HIS  20          3HB       HIS  20  -4.028   4.270  -1.910
  134    HD2  HIS  20          2HD       HIS  20  -6.872   3.925  -3.961
  135    HE1  HIS  20          1HE       HIS  20  -4.815   7.053  -5.956
  136    HE2  HIS  20          2HE       HIS  20  -6.671   5.357  -6.105
  137    H    SER  21           HN       SER  21  -6.580   1.657  -0.615
  138    HA   SER  21           HA       SER  21  -5.294   1.606   1.957
  139    HB2  SER  21          2HB       SER  21  -5.889  -0.999   1.462
  140    HB3  SER  21          3HB       SER  21  -7.041   0.165   2.117
  141    HG   SER  21           HG       SER  21  -6.797  -0.820  -0.506
  142    H    PHE  22           HN       PHE  22  -3.666   0.010   2.555
  143    HA   PHE  22           HA       PHE  22  -2.064  -1.191   0.489
  144    HB2  PHE  22          2HB       PHE  22  -0.896   1.065   2.132
  145    HB3  PHE  22          3HB       PHE  22   0.002   0.032   1.024
  146    HD1  PHE  22          1HD       PHE  22  -2.131   2.919   1.358
  147    HD2  PHE  22          2HD       PHE  22  -0.462   0.155  -1.415
  148    HE1  PHE  22          1HE       PHE  22  -2.634   4.469  -0.485
  149    HE2  PHE  22          2HE       PHE  22  -0.961   1.701  -3.263
  150    HZ   PHE  22           HZ       PHE  22  -2.047   3.862  -2.799
  151    H    CYS  23           HN       CYS  23  -1.996  -3.144   1.424
  152    HA   CYS  23           HA       CYS  23  -2.027  -3.725   4.136
  153    HB2  CYS  23          2HB       CYS  23  -1.451  -5.955   3.551
  154    HB3  CYS  23          3HB       CYS  23  -2.384  -5.324   2.197
  155    H    GLN  24           HN       GLN  24  -0.401  -4.396   5.600
  156    HA   GLN  24           HA       GLN  24   1.802  -2.762   5.833
  157    HB2  GLN  24          2HB       GLN  24   0.823  -4.192   7.636
  158    HB3  GLN  24          3HB       GLN  24   1.616  -5.582   6.905
  159    HG2  GLN  24          2HG       GLN  24   3.326  -5.143   8.244
  160    HG3  GLN  24          3HG       GLN  24   3.664  -3.767   7.194
  161   HE21  GLN  24          1HE2      GLN  24   2.997  -1.702   7.833
  162   HE22  GLN  24          2HE2      GLN  24   2.616  -1.340   9.479
  163    H    LYS  25           HN       LYS  25   1.663  -6.036   4.469
  164    HA   LYS  25           HA       LYS  25   4.197  -6.723   4.003
  165    HB2  LYS  25          2HB       LYS  25   2.283  -6.732   1.682
  166    HB3  LYS  25          3HB       LYS  25   3.519  -7.916   2.083
  167    HG2  LYS  25          2HG       LYS  25   0.878  -7.467   3.439
  168    HG3  LYS  25          3HG       LYS  25   1.441  -8.909   2.591
  169    HD2  LYS  25          2HD       LYS  25   3.256  -9.076   4.344
  170    HD3  LYS  25          3HD       LYS  25   2.386  -7.828   5.238
  171    HE2  LYS  25          2HE       LYS  25   1.168 -10.440   4.355
  172    HE3  LYS  25          3HE       LYS  25   1.868 -10.166   5.950
  173    HZ1  LYS  25          1HZ       LYS  25   0.124  -8.921   6.599
  174    HZ2  LYS  25          2HZ       LYS  25  -0.698  -9.792   5.405
  175    HZ3  LYS  25          3HZ       LYS  25  -0.121  -8.236   5.073
  176    H    CYS  26           HN       CYS  26   2.518  -4.841   1.483
  177    HA   CYS  26           HA       CYS  26   4.915  -4.015   0.235
  178    HB2  CYS  26          2HB       CYS  26   3.422  -2.402  -0.983
  179    HB3  CYS  26          3HB       CYS  26   2.898  -4.080  -1.060
  180    H    ILE  27           HN       ILE  27   2.749  -2.437   2.543
  181    HA   ILE  27           HA       ILE  27   3.802   0.114   2.559
  182    HB   ILE  27           HB       ILE  27   2.105  -1.419   4.269
  183   HG12  ILE  27          2HG1      ILE  27   2.643   1.555   4.115
  184   HG13  ILE  27          3HG1      ILE  27   1.515   0.666   3.099
  185   HG21  ILE  27          1HG2      ILE  27   3.951  -1.487   5.845
  186   HG22  ILE  27          2HG2      ILE  27   4.137   0.263   5.729
  187   HG23  ILE  27          3HG2      ILE  27   2.676  -0.423   6.440
  188   HD11  ILE  27          1HD1      ILE  27   0.056   1.453   4.631
  189   HD12  ILE  27          2HD1      ILE  27   0.540  -0.019   5.474
  190   HD13  ILE  27          3HD1      ILE  27   1.266   1.527   5.912
  191    H    ASP  28           HN       ASP  28   5.153  -2.820   3.833
  192    HA   ASP  28           HA       ASP  28   7.177  -1.438   5.385
  193    HB2  ASP  28          2HB       ASP  28   6.050  -3.742   5.902
  194    HB3  ASP  28          3HB       ASP  28   7.252  -4.374   4.780
  195    H    LYS  29           HN       LYS  29   6.773  -2.678   2.209
  196    HA   LYS  29           HA       LYS  29   9.560  -3.038   1.628
  197    HB2  LYS  29          2HB       LYS  29   7.008  -3.195   0.126
  198    HB3  LYS  29          3HB       LYS  29   8.448  -2.830  -0.817
  199    HG2  LYS  29          2HG       LYS  29   8.339  -5.128  -0.935
  200    HG3  LYS  29          3HG       LYS  29   9.470  -4.872   0.395
  201    HD2  LYS  29          2HD       LYS  29   7.483  -5.067   1.949
  202    HD3  LYS  29          3HD       LYS  29   6.560  -5.627   0.552
  203    HE2  LYS  29          2HE       LYS  29   7.561  -7.645   0.540
  204    HE3  LYS  29          3HE       LYS  29   9.136  -6.979   0.967
  205    HZ1  LYS  29          1HZ       LYS  29   8.086  -6.651   3.267
  206    HZ2  LYS  29          2HZ       LYS  29   8.548  -8.214   2.816
  207    HZ3  LYS  29          3HZ       LYS  29   6.920  -7.761   2.748
  208    H    TRP  30           HN       TRP  30   7.146  -0.684   0.454
  209    HA   TRP  30           HA       TRP  30   9.099   1.040  -0.679
  210    HB2  TRP  30          2HB       TRP  30   6.312   1.862   0.130
  211    HB3  TRP  30          3HB       TRP  30   7.302   2.509  -1.175
  212    HD1  TRP  30          1HD       TRP  30   4.851  -0.257  -0.381
  213    HE1  TRP  30          1HE       TRP  30   4.325  -1.570  -2.531
  214    HE3  TRP  30          3HE       TRP  30   8.414   1.751  -3.449
  215    HZ2  TRP  30          2HZ       TRP  30   5.294  -1.733  -5.178
  216    HZ3  TRP  30          3HZ       TRP  30   8.548   0.961  -5.776
  217    HH2  TRP  30          2HH       TRP  30   7.020  -0.745  -6.620
  218    H    SER  31           HN       SER  31   6.916   1.618   2.088
  219    HA   SER  31           HA       SER  31   7.342   2.588   4.127
  220    HB2  SER  31          2HB       SER  31   9.801   1.673   3.547
  221    HB3  SER  31          3HB       SER  31  10.120   3.406   3.461
  222    HG   SER  31           HG       SER  31   9.413   1.826   5.645
  223    H    ASP  32           HN       ASP  32   5.948   4.018   2.500
  224    HA   ASP  32           HA       ASP  32   6.991   6.421   1.512
  225    HB2  ASP  32          2HB       ASP  32   4.528   7.205   1.856
  226    HB3  ASP  32          3HB       ASP  32   4.872   5.920   0.701
  227    H    ARG  33           HN       ARG  33   7.604   8.262   2.450
  228    HA   ARG  33           HA       ARG  33   7.270   8.510   5.347
  229    HB2  ARG  33          2HB       ARG  33   9.100   9.922   3.401
  230    HB3  ARG  33          3HB       ARG  33   9.001  10.315   5.113
  231    HG2  ARG  33          2HG       ARG  33  10.304   8.606   5.685
  232    HG3  ARG  33          3HG       ARG  33   9.429   7.482   4.645
  233    HD2  ARG  33          2HD       ARG  33  10.706   8.868   2.761
  234    HD3  ARG  33          3HD       ARG  33  11.842   9.112   4.087
  235    HE   ARG  33           HE       ARG  33  11.055   6.369   3.691
  236   HH11  ARG  33          1HH1      ARG  33  13.297   8.882   2.810
  237   HH12  ARG  33          2HH1      ARG  33  14.536   7.780   2.307
  238   HH21  ARG  33          1HH2      ARG  33  12.679   4.909   3.033
  239   HH22  ARG  33          2HH2      ARG  33  14.183   5.520   2.434
  240    H    HIS  34           HN       HIS  34   6.982  10.508   2.412
  241    HA   HIS  34           HA       HIS  34   5.656  12.641   3.776
  242    HB2  HIS  34          2HB       HIS  34   5.934  12.027   0.829
  243    HB3  HIS  34          3HB       HIS  34   5.239  13.512   1.473
  244    HD2  HIS  34          2HD       HIS  34   8.045  13.057   3.758
  245    HE1  HIS  34          1HE       HIS  34   9.818  14.886   0.366
  246    HE2  HIS  34          2HE       HIS  34  10.137  14.216   2.772
  247    H    ARG  35           HN       ARG  35   4.618   9.626   3.119
  248    HA   ARG  35           HA       ARG  35   2.579   8.619   3.087
  249    HB2  ARG  35          2HB       ARG  35   2.237  10.600   4.813
  250    HB3  ARG  35          3HB       ARG  35   1.164  11.204   3.556
  251    HG2  ARG  35          2HG       ARG  35   0.406   8.579   3.779
  252    HG3  ARG  35          3HG       ARG  35   0.795   9.019   5.443
  253    HD2  ARG  35          2HD       ARG  35  -0.629  11.193   4.467
  254    HD3  ARG  35          3HD       ARG  35  -1.463   9.790   3.800
  255    HE   ARG  35           HE       ARG  35  -2.220   9.298   5.896
  256   HH11  ARG  35          1HH1      ARG  35   0.471  11.491   6.157
  257   HH12  ARG  35          2HH1      ARG  35   0.289  11.719   7.865
  258   HH21  ARG  35          1HH2      ARG  35  -2.470   9.589   8.146
  259   HH22  ARG  35          2HH2      ARG  35  -1.383  10.634   8.996
  260    H    ASN  36           HN       ASN  36   3.711   9.756   0.671
  261    HA   ASN  36           HA       ASN  36   1.341  10.583  -0.837
  262    HB2  ASN  36          2HB       ASN  36   4.286  10.608  -1.515
  263    HB3  ASN  36          3HB       ASN  36   3.025  11.010  -2.676
  264   HD21  ASN  36          1HD2      ASN  36   2.997  11.783   0.745
  265   HD22  ASN  36          2HD2      ASN  36   3.087  13.498   0.549
  266    H    CYS  37           HN       CYS  37   0.211   8.706  -1.159
  267    HA   CYS  37           HA       CYS  37   1.100   6.176  -1.667
  268    HB2  CYS  37          2HB       CYS  37  -1.038   6.068  -3.203
  269    HB3  CYS  37          3HB       CYS  37  -1.194   6.281  -1.462
  270    HA   PRO  38           HA       PRO  38   3.204   6.215  -5.528
  271    HB2  PRO  38          2HB       PRO  38   2.852   3.624  -6.258
  272    HB3  PRO  38          3HB       PRO  38   3.960   4.119  -4.972
  273    HG2  PRO  38          2HG       PRO  38   1.179   3.029  -4.762
  274    HG3  PRO  38          3HG       PRO  38   2.613   2.631  -3.797
  275    HD2  PRO  38          2HD       PRO  38   0.685   4.314  -2.914
  276    HD3  PRO  38          3HD       PRO  38   2.393   4.500  -2.468
  277    H    ILE  39           HN       ILE  39  -0.121   5.171  -5.308
  278    HA   ILE  39           HA       ILE  39  -0.601   4.953  -8.106
  279    HB   ILE  39           HB       ILE  39  -2.428   5.229  -5.732
  280   HG12  ILE  39          2HG1      ILE  39  -2.989   2.929  -7.227
  281   HG13  ILE  39          3HG1      ILE  39  -1.233   3.057  -7.236
  282   HG21  ILE  39          1HG2      ILE  39  -3.559   6.383  -7.498
  283   HG22  ILE  39          2HG2      ILE  39  -3.185   5.098  -8.645
  284   HG23  ILE  39          3HG2      ILE  39  -4.303   4.795  -7.316
  285   HD11  ILE  39          1HD1      ILE  39  -1.884   1.704  -5.388
  286   HD12  ILE  39          2HD1      ILE  39  -1.310   3.249  -4.757
  287   HD13  ILE  39          3HD1      ILE  39  -3.041   2.917  -4.839
  288    H    CYS  40           HN       CYS  40  -2.135   7.288  -5.906
  289    HA   CYS  40           HA       CYS  40  -3.019   9.130  -7.660
  290    HB2  CYS  40          2HB       CYS  40  -1.786   9.509  -4.942
  291    HB3  CYS  40          3HB       CYS  40  -2.410  10.879  -5.855
  292    H    ARG  41           HN       ARG  41   0.296   9.009  -6.385
  293    HA   ARG  41           HA       ARG  41   1.463  11.211  -7.388
  294    HB2  ARG  41          2HB       ARG  41   3.265  10.105  -6.679
  295    HB3  ARG  41          3HB       ARG  41   2.353   8.601  -6.670
  296    HG2  ARG  41          2HG       ARG  41   2.951   8.172  -8.965
  297    HG3  ARG  41          3HG       ARG  41   3.762   9.736  -9.076
  298    HD2  ARG  41          2HD       ARG  41   5.618   8.613  -8.529
  299    HD3  ARG  41          3HD       ARG  41   4.964   8.606  -6.891
  300    HE   ARG  41           HE       ARG  41   4.551   6.359  -7.096
  301   HH11  ARG  41          1HH1      ARG  41   5.235   7.701 -10.235
  302   HH12  ARG  41          2HH1      ARG  41   5.322   6.158 -11.019
  303   HH21  ARG  41          1HH2      ARG  41   4.663   4.323  -8.118
  304   HH22  ARG  41          2HH2      ARG  41   4.996   4.238  -9.815
  305    H    LEU  42           HN       LEU  42   0.728   8.302  -9.282
  306    HA   LEU  42           HA       LEU  42   1.833   9.122 -11.711
  307    HB2  LEU  42          2HB       LEU  42  -0.335   7.224 -10.938
  308    HB3  LEU  42          3HB       LEU  42  -0.094   7.607 -12.641
  309    HG   LEU  42           HG       LEU  42   1.954   6.382 -10.792
  310   HD11  LEU  42          1HD1      LEU  42   1.662   4.396 -12.218
  311   HD12  LEU  42          2HD1      LEU  42   0.337   5.208 -13.050
  312   HD13  LEU  42          3HD1      LEU  42   0.194   4.817 -11.336
  313   HD21  LEU  42          1HD2      LEU  42   2.060   7.287 -13.649
  314   HD22  LEU  42          2HD2      LEU  42   3.112   6.005 -13.052
  315   HD23  LEU  42          3HD2      LEU  42   3.191   7.615 -12.337
  Start of MODEL    6
    1    H1   GLU   1           HN       GLU   1 -15.711  -5.508   4.802
    2    HA   GLU   1           HA       GLU   1 -12.946  -5.606   5.369
    3    HB2  GLU   1          2HB       GLU   1 -14.945  -7.357   4.126
    4    HB3  GLU   1          3HB       GLU   1 -13.322  -7.566   3.484
    5    HG2  GLU   1          2HG       GLU   1 -12.702  -8.716   5.266
    6    HG3  GLU   1          3HG       GLU   1 -13.231  -7.426   6.345
    7    H    GLU   2           HN       GLU   2 -11.397  -4.532   4.356
    8    HA   GLU   2           HA       GLU   2 -11.746  -3.877   1.512
    9    HB2  GLU   2          2HB       GLU   2 -10.299  -2.563   3.769
   10    HB3  GLU   2          3HB       GLU   2  -9.688  -2.339   2.136
   11    HG2  GLU   2          2HG       GLU   2 -12.558  -1.925   2.334
   12    HG3  GLU   2          3HG       GLU   2 -11.630  -0.836   3.362
   13    H    GLU   3           HN       GLU   3  -9.475  -3.611   0.404
   14    HA   GLU   3           HA       GLU   3  -7.594  -5.680   1.199
   15    HB2  GLU   3          2HB       GLU   3  -9.024  -5.738  -1.463
   16    HB3  GLU   3          3HB       GLU   3  -7.640  -6.737  -1.045
   17    HG2  GLU   3          2HG       GLU   3  -9.233  -7.382   0.988
   18    HG3  GLU   3          3HG       GLU   3 -10.462  -6.954  -0.201
   19    H    CYS   4           HN       CYS   4  -5.531  -5.375   0.403
   20    HA   CYS   4           HA       CYS   4  -4.595  -2.867  -0.078
   21    HB2  CYS   4          2HB       CYS   4  -3.211  -4.908   0.381
   22    HB3  CYS   4          3HB       CYS   4  -3.403  -5.358  -1.310
   23    H    CYS   5           HN       CYS   5  -3.868  -1.725  -1.938
   24    HA   CYS   5           HA       CYS   5  -5.596  -2.155  -4.252
   25    HB2  CYS   5          2HB       CYS   5  -5.179   0.103  -4.839
   26    HB3  CYS   5          3HB       CYS   5  -5.379   0.098  -3.091
   27    HG   CYS   5           HG       CYS   5  -3.347   1.728  -3.044
   28    H    ILE   6           HN       ILE   6  -2.213  -2.097  -3.347
   29    HA   ILE   6           HA       ILE   6  -1.276  -2.319  -6.068
   30    HB   ILE   6           HB       ILE   6   0.235  -2.684  -3.479
   31   HG12  ILE   6          2HG1      ILE   6  -0.172  -0.290  -5.273
   32   HG13  ILE   6          3HG1      ILE   6  -0.593  -0.440  -3.571
   33   HG21  ILE   6          1HG2      ILE   6   1.594  -1.915  -5.991
   34   HG22  ILE   6          2HG2      ILE   6   2.157  -2.920  -4.657
   35   HG23  ILE   6          3HG2      ILE   6   1.049  -3.586  -5.857
   36   HD11  ILE   6          1HD1      ILE   6   1.317   0.652  -3.222
   37   HD12  ILE   6          2HD1      ILE   6   2.086  -0.908  -3.523
   38   HD13  ILE   6          3HD1      ILE   6   1.942   0.271  -4.826
   39    H    CYS   7           HN       CYS   7  -0.818  -4.436  -3.230
   40    HA   CYS   7           HA       CYS   7  -0.228  -6.707  -4.857
   41    HB2  CYS   7          2HB       CYS   7  -1.051  -6.995  -1.998
   42    HB3  CYS   7          3HB       CYS   7   0.226  -7.822  -2.884
   43    H    MET   8           HN       MET   8  -3.080  -5.517  -3.182
   44    HA   MET   8           HA       MET   8  -5.186  -6.439  -2.943
   45    HB2  MET   8          2HB       MET   8  -5.937  -7.058  -5.467
   46    HB3  MET   8          3HB       MET   8  -5.851  -5.415  -4.846
   47    HG2  MET   8          2HG       MET   8  -3.702  -5.081  -5.834
   48    HG3  MET   8          3HG       MET   8  -3.597  -6.779  -6.293
   49    HE1  MET   8          1HE       MET   8  -3.965  -6.267  -9.735
   50    HE2  MET   8          2HE       MET   8  -3.300  -4.750  -9.131
   51    HE3  MET   8          3HE       MET   8  -2.863  -6.274  -8.358
   52    H    ASP   9           HN       ASP   9  -4.511  -8.346  -1.771
   53    HA   ASP   9           HA       ASP   9  -5.322 -10.761  -3.136
   54    HB2  ASP   9          2HB       ASP   9  -3.357 -11.982  -2.980
   55    HB3  ASP   9          3HB       ASP   9  -2.747 -10.387  -3.414
   56    H    GLY  10           HN       GLY  10  -4.001  -9.309  -0.185
   57    HA2  GLY  10          1HA       GLY  10  -5.490 -11.288   1.405
   58    HA3  GLY  10          2HA       GLY  10  -4.163 -10.299   1.995
   59    H    ARG  11           HN       ARG  11  -4.572  -8.306   2.842
   60    HA   ARG  11           HA       ARG  11  -7.247  -7.173   2.592
   61    HB2  ARG  11          2HB       ARG  11  -7.153  -6.815   5.173
   62    HB3  ARG  11          3HB       ARG  11  -7.710  -8.353   4.529
   63    HG2  ARG  11          2HG       ARG  11  -6.168  -8.587   6.442
   64    HG3  ARG  11          3HG       ARG  11  -5.584  -9.375   4.975
   65    HD2  ARG  11          2HD       ARG  11  -3.747  -8.225   5.986
   66    HD3  ARG  11          3HD       ARG  11  -4.201  -7.355   4.521
   67    HE   ARG  11           HE       ARG  11  -4.683  -5.542   5.816
   68   HH11  ARG  11          1HH1      ARG  11  -4.714  -8.384   7.827
   69   HH12  ARG  11          2HH1      ARG  11  -4.939  -7.499   9.300
   70   HH21  ARG  11          1HH2      ARG  11  -4.979  -4.366   7.747
   71   HH22  ARG  11          2HH2      ARG  11  -5.091  -5.213   9.253
   72    H    ALA  12           HN       ALA  12  -7.173  -5.129   4.299
   73    HA   ALA  12           HA       ALA  12  -4.650  -3.711   3.758
   74    HB1  ALA  12          1HB       ALA  12  -6.070  -1.646   3.405
   75    HB2  ALA  12          2HB       ALA  12  -6.126  -2.859   2.125
   76    HB3  ALA  12          3HB       ALA  12  -7.453  -2.734   3.280
   77    H    ASP  13           HN       ASP  13  -3.833  -2.571   5.422
   78    HA   ASP  13           HA       ASP  13  -5.433  -2.462   7.889
   79    HB2  ASP  13          2HB       ASP  13  -2.976  -3.588   7.531
   80    HB3  ASP  13          3HB       ASP  13  -2.533  -1.975   8.082
   81    H    LEU  14           HN       LEU  14  -3.654  -0.585   5.578
   82    HA   LEU  14           HA       LEU  14  -4.299   1.851   7.105
   83    HB2  LEU  14          2HB       LEU  14  -1.812   0.963   5.872
   84    HB3  LEU  14          3HB       LEU  14  -2.296   2.579   5.360
   85    HG   LEU  14           HG       LEU  14  -2.138   1.849   8.267
   86   HD11  LEU  14          1HD1      LEU  14   0.067   1.669   8.172
   87   HD12  LEU  14          2HD1      LEU  14   0.155   3.309   7.531
   88   HD13  LEU  14          3HD1      LEU  14   0.046   1.936   6.429
   89   HD21  LEU  14          1HD2      LEU  14  -3.309   3.913   7.597
   90   HD22  LEU  14          2HD2      LEU  14  -1.837   4.468   6.800
   91   HD23  LEU  14          3HD2      LEU  14  -1.859   4.235   8.549
   92    H    ILE  15           HN       ILE  15  -6.142   2.515   6.145
   93    HA   ILE  15           HA       ILE  15  -6.276   2.579   3.220
   94    HB   ILE  15           HB       ILE  15  -8.415   2.964   5.313
   95   HG12  ILE  15          2HG1      ILE  15  -9.250   0.936   3.733
   96   HG13  ILE  15          3HG1      ILE  15  -7.508   0.727   3.594
   97   HG21  ILE  15          1HG2      ILE  15  -8.323   3.884   2.596
   98   HG22  ILE  15          2HG2      ILE  15  -9.590   2.672   2.787
   99   HG23  ILE  15          3HG2      ILE  15  -9.582   4.108   3.811
  100   HD11  ILE  15          1HD1      ILE  15  -8.877   0.961   6.250
  101   HD12  ILE  15          2HD1      ILE  15  -8.689  -0.579   5.411
  102   HD13  ILE  15          3HD1      ILE  15  -7.265   0.343   5.891
  103    H    LEU  16           HN       LEU  16  -4.818   4.353   2.979
  104    HA   LEU  16           HA       LEU  16  -4.810   6.797   4.151
  105    HB2  LEU  16          2HB       LEU  16  -4.344   5.923   1.341
  106    HB3  LEU  16          3HB       LEU  16  -4.369   7.648   1.700
  107    HG   LEU  16           HG       LEU  16  -2.564   5.737   3.160
  108   HD11  LEU  16          1HD1      LEU  16  -1.175   5.584   1.438
  109   HD12  LEU  16          2HD1      LEU  16  -1.222   7.327   1.174
  110   HD13  LEU  16          3HD1      LEU  16  -2.435   6.289   0.425
  111   HD21  LEU  16          1HD2      LEU  16  -2.893   7.877   4.228
  112   HD22  LEU  16          2HD2      LEU  16  -2.534   8.721   2.721
  113   HD23  LEU  16          3HD2      LEU  16  -1.269   7.804   3.540
  114    HA   PRO  17           HA       PRO  17  -8.587   8.901   3.400
  115    HB2  PRO  17          2HB       PRO  17  -7.739  11.458   3.065
  116    HB3  PRO  17          3HB       PRO  17  -7.736  10.643   4.633
  117    HG2  PRO  17          2HG       PRO  17  -5.477  11.070   2.715
  118    HG3  PRO  17          3HG       PRO  17  -5.493  11.238   4.480
  119    HD2  PRO  17          2HD       PRO  17  -4.494   9.051   3.234
  120    HD3  PRO  17          3HD       PRO  17  -5.280   8.969   4.825
  121    H    CYS  18           HN       CYS  18  -6.415   8.338   0.990
  122    HA   CYS  18           HA       CYS  18  -7.889   9.888  -1.024
  123    HB2  CYS  18          2HB       CYS  18  -5.494  10.213  -1.116
  124    HB3  CYS  18          3HB       CYS  18  -5.220   8.474  -1.162
  125    H    ALA  19           HN       ALA  19  -8.013   6.938   0.381
  126    HA   ALA  19           HA       ALA  19  -9.344   5.139  -0.171
  127    HB1  ALA  19          1HB       ALA  19 -10.708   5.190  -1.979
  128    HB2  ALA  19          2HB       ALA  19 -10.225   6.887  -1.988
  129    HB3  ALA  19          3HB       ALA  19  -9.431   5.739  -3.066
  130    H    HIS  20           HN       HIS  20  -6.334   5.615  -0.631
  131    HA   HIS  20           HA       HIS  20  -5.846   3.259  -2.330
  132    HB2  HIS  20          2HB       HIS  20  -4.196   5.705  -1.758
  133    HB3  HIS  20          3HB       HIS  20  -3.438   4.222  -2.331
  134    HD2  HIS  20          2HD       HIS  20  -5.838   3.526  -4.575
  135    HE1  HIS  20          1HE       HIS  20  -4.584   7.222  -6.238
  136    HE2  HIS  20          2HE       HIS  20  -5.899   5.107  -6.621
  137    H    SER  21           HN       SER  21  -6.080   1.669  -0.780
  138    HA   SER  21           HA       SER  21  -4.719   1.826   1.750
  139    HB2  SER  21          2HB       SER  21  -5.637  -0.830   0.898
  140    HB3  SER  21          3HB       SER  21  -6.037   0.091   2.348
  141    HG   SER  21           HG       SER  21  -7.517  -0.270   0.180
  142    H    PHE  22           HN       PHE  22  -3.168   0.190   2.470
  143    HA   PHE  22           HA       PHE  22  -1.665  -1.241   0.465
  144    HB2  PHE  22          2HB       PHE  22  -0.304   0.967   2.022
  145    HB3  PHE  22          3HB       PHE  22   0.455  -0.118   0.861
  146    HD1  PHE  22          1HD       PHE  22  -0.164   0.046  -1.550
  147    HD2  PHE  22          2HD       PHE  22  -1.416   2.922   1.328
  148    HE1  PHE  22          1HE       PHE  22  -0.655   1.639  -3.360
  149    HE2  PHE  22          2HE       PHE  22  -1.910   4.518  -0.478
  150    HZ   PHE  22           HZ       PHE  22  -1.529   3.878  -2.825
  151    H    CYS  23           HN       CYS  23  -1.649  -3.150   1.475
  152    HA   CYS  23           HA       CYS  23  -1.701  -3.568   4.237
  153    HB2  CYS  23          2HB       CYS  23  -1.174  -5.887   3.744
  154    HB3  CYS  23          3HB       CYS  23  -2.314  -5.275   2.549
  155    H    GLN  24           HN       GLN  24  -0.169  -3.790   5.781
  156    HA   GLN  24           HA       GLN  24   2.181  -2.503   5.803
  157    HB2  GLN  24          2HB       GLN  24   1.017  -3.914   7.655
  158    HB3  GLN  24          3HB       GLN  24   2.083  -5.202   7.110
  159    HG2  GLN  24          2HG       GLN  24   2.923  -3.898   9.057
  160    HG3  GLN  24          3HG       GLN  24   4.020  -3.957   7.679
  161   HE21  GLN  24          1HE2      GLN  24   1.194  -1.959   8.457
  162   HE22  GLN  24          2HE2      GLN  24   1.999  -0.443   8.265
  163    H    LYS  25           HN       LYS  25   1.685  -5.754   4.530
  164    HA   LYS  25           HA       LYS  25   4.198  -6.690   4.135
  165    HB2  LYS  25          2HB       LYS  25   2.230  -6.780   1.866
  166    HB3  LYS  25          3HB       LYS  25   3.371  -8.015   2.382
  167    HG2  LYS  25          2HG       LYS  25   1.919  -7.975   4.574
  168    HG3  LYS  25          3HG       LYS  25   0.698  -7.321   3.479
  169    HD2  LYS  25          2HD       LYS  25   0.240  -9.405   2.851
  170    HD3  LYS  25          3HD       LYS  25   1.847  -9.486   2.125
  171    HE2  LYS  25          2HE       LYS  25   2.780 -10.396   4.127
  172    HE3  LYS  25          3HE       LYS  25   1.289 -10.103   5.022
  173    HZ1  LYS  25          1HZ       LYS  25   1.073 -12.307   4.536
  174    HZ2  LYS  25          2HZ       LYS  25   1.899 -12.197   3.064
  175    HZ3  LYS  25          3HZ       LYS  25   0.303 -11.649   3.180
  176    H    CYS  26           HN       CYS  26   2.517  -4.797   1.619
  177    HA   CYS  26           HA       CYS  26   4.882  -4.294   0.145
  178    HB2  CYS  26          2HB       CYS  26   3.422  -2.531  -0.988
  179    HB3  CYS  26          3HB       CYS  26   2.855  -4.196  -1.066
  180    H    ILE  27           HN       ILE  27   3.007  -2.325   2.422
  181    HA   ILE  27           HA       ILE  27   4.416   0.057   2.216
  182    HB   ILE  27           HB       ILE  27   2.543  -1.098   4.080
  183   HG12  ILE  27          2HG1      ILE  27   3.288   1.801   3.669
  184   HG13  ILE  27          3HG1      ILE  27   2.286   0.897   2.538
  185   HG21  ILE  27          1HG2      ILE  27   4.682   0.646   5.296
  186   HG22  ILE  27          2HG2      ILE  27   3.207   0.099   6.092
  187   HG23  ILE  27          3HG2      ILE  27   4.443  -1.069   5.627
  188   HD11  ILE  27          1HD1      ILE  27   1.551   1.060   5.429
  189   HD12  ILE  27          2HD1      ILE  27   1.151   2.367   4.314
  190   HD13  ILE  27          3HD1      ILE  27   0.525   0.742   4.031
  191    H    ASP  28           HN       ASP  28   5.372  -2.943   3.608
  192    HA   ASP  28           HA       ASP  28   7.329  -2.006   5.421
  193    HB2  ASP  28          2HB       ASP  28   6.416  -4.307   5.455
  194    HB3  ASP  28          3HB       ASP  28   7.246  -4.642   3.937
  195    H    LYS  29           HN       LYS  29   7.678  -3.338   2.131
  196    HA   LYS  29           HA       LYS  29  10.434  -2.744   1.918
  197    HB2  LYS  29          2HB       LYS  29   9.187  -4.417   0.529
  198    HB3  LYS  29          3HB       LYS  29   8.454  -3.076  -0.342
  199    HG2  LYS  29          2HG       LYS  29  10.491  -2.435  -1.301
  200    HG3  LYS  29          3HG       LYS  29  11.429  -3.402  -0.161
  201    HD2  LYS  29          2HD       LYS  29   9.490  -4.657  -2.081
  202    HD3  LYS  29          3HD       LYS  29  11.157  -4.305  -2.541
  203    HE2  LYS  29          2HE       LYS  29  11.817  -5.606  -0.442
  204    HE3  LYS  29          3HE       LYS  29  10.150  -6.180  -0.419
  205    HZ1  LYS  29          1HZ       LYS  29  11.466  -6.428  -2.976
  206    HZ2  LYS  29          2HZ       LYS  29  10.518  -7.546  -2.133
  207    HZ3  LYS  29          3HZ       LYS  29  12.156  -7.368  -1.751
  208    H    TRP  30           HN       TRP  30   7.579  -0.852   1.477
  209    HA   TRP  30           HA       TRP  30   9.071   1.262   0.104
  210    HB2  TRP  30          2HB       TRP  30   6.114   1.045   0.714
  211    HB3  TRP  30          3HB       TRP  30   6.876   2.326  -0.225
  212    HD1  TRP  30          1HD       TRP  30   5.111  -0.836  -0.690
  213    HE1  TRP  30          1HE       TRP  30   5.466  -1.761  -3.065
  214    HE3  TRP  30          3HE       TRP  30   9.031   2.113  -2.131
  215    HZ2  TRP  30          2HZ       TRP  30   7.182  -1.303  -5.260
  216    HZ3  TRP  30          3HZ       TRP  30   9.971   1.805  -4.384
  217    HH2  TRP  30          2HH       TRP  30   9.065   0.133  -5.914
  218    H    SER  31           HN       SER  31  10.337   2.068   1.771
  219    HA   SER  31           HA       SER  31   9.846   2.565   4.359
  220    HB2  SER  31          2HB       SER  31  11.641   3.596   2.445
  221    HB3  SER  31          3HB       SER  31  10.958   4.994   3.274
  222    HG   SER  31           HG       SER  31  12.665   3.055   4.206
  223    H    ASP  32           HN       ASP  32   8.699   3.942   5.633
  224    HA   ASP  32           HA       ASP  32   6.566   5.440   4.318
  225    HB2  ASP  32          2HB       ASP  32   5.725   5.655   6.729
  226    HB3  ASP  32          3HB       ASP  32   5.720   4.043   6.019
  227    H    ARG  33           HN       ARG  33   8.584   6.868   3.707
  228    HA   ARG  33           HA       ARG  33   8.848   8.965   5.761
  229    HB2  ARG  33          2HB       ARG  33  10.769   7.962   3.682
  230    HB3  ARG  33          3HB       ARG  33  10.926   9.587   4.336
  231    HG2  ARG  33          2HG       ARG  33  11.598   8.853   6.380
  232    HG3  ARG  33          3HG       ARG  33  10.681   7.349   6.264
  233    HD2  ARG  33          2HD       ARG  33  12.973   6.757   6.142
  234    HD3  ARG  33          3HD       ARG  33  12.327   6.613   4.508
  235    HE   ARG  33           HE       ARG  33  13.470   9.179   4.963
  236   HH11  ARG  33          1HH1      ARG  33  14.256   5.860   4.269
  237   HH12  ARG  33          2HH1      ARG  33  15.753   6.242   3.484
  238   HH21  ARG  33          1HH2      ARG  33  15.438   9.695   3.931
  239   HH22  ARG  33          2HH2      ARG  33  16.424   8.424   3.292
  240    H    HIS  34           HN       HIS  34   7.883   8.198   2.544
  241    HA   HIS  34           HA       HIS  34   7.716  11.000   1.752
  242    HB2  HIS  34          2HB       HIS  34   6.568   8.945  -0.025
  243    HB3  HIS  34          3HB       HIS  34   7.664  10.273  -0.396
  244    HD2  HIS  34          2HD       HIS  34  10.372   9.626  -0.375
  245    HE1  HIS  34          1HE       HIS  34   9.835   5.497   0.440
  246    HE2  HIS  34          2HE       HIS  34  11.490   7.307  -0.138
  247    H    ARG  35           HN       ARG  35   5.493  11.090   0.202
  248    HA   ARG  35           HA       ARG  35   3.397  11.156   2.204
  249    HB2  ARG  35          2HB       ARG  35   2.110  12.370   0.498
  250    HB3  ARG  35          3HB       ARG  35   3.693  13.091   0.753
  251    HG2  ARG  35          2HG       ARG  35   4.325  11.504  -1.274
  252    HG3  ARG  35          3HG       ARG  35   2.603  11.687  -1.614
  253    HD2  ARG  35          2HD       ARG  35   3.157  14.236  -1.188
  254    HD3  ARG  35          3HD       ARG  35   4.779  13.715  -1.643
  255    HE   ARG  35           HE       ARG  35   2.812  12.812  -3.497
  256   HH11  ARG  35          1HH1      ARG  35   4.702  15.577  -2.546
  257   HH12  ARG  35          2HH1      ARG  35   4.667  16.305  -4.117
  258   HH21  ARG  35          1HH2      ARG  35   2.760  13.761  -5.571
  259   HH22  ARG  35          2HH2      ARG  35   3.561  15.272  -5.837
  260    H    ASN  36           HN       ASN  36   4.481   8.648   0.767
  261    HA   ASN  36           HA       ASN  36   3.670   6.776  -0.305
  262    HB2  ASN  36          2HB       ASN  36   2.591   7.132   2.211
  263    HB3  ASN  36          3HB       ASN  36   1.173   6.794   1.222
  264   HD21  ASN  36          1HD2      ASN  36   4.511   5.612   1.088
  265   HD22  ASN  36          2HD2      ASN  36   4.103   3.937   1.207
  266    H    CYS  37           HN       CYS  37   0.913   5.973  -0.539
  267    HA   CYS  37           HA       CYS  37  -0.845   6.094  -1.979
  268    HB2  CYS  37          2HB       CYS  37  -0.591   8.667  -0.971
  269    HB3  CYS  37          3HB       CYS  37  -0.628   8.908  -2.715
  270    HA   PRO  38           HA       PRO  38   2.417   6.563  -5.415
  271    HB2  PRO  38          2HB       PRO  38   3.104   3.946  -5.643
  272    HB3  PRO  38          3HB       PRO  38   3.949   5.072  -4.573
  273    HG2  PRO  38          2HG       PRO  38   1.829   3.064  -3.915
  274    HG3  PRO  38          3HG       PRO  38   3.320   3.446  -3.035
  275    HD2  PRO  38          2HD       PRO  38   0.898   4.399  -2.284
  276    HD3  PRO  38          3HD       PRO  38   2.402   5.311  -2.039
  277    H    ILE  39           HN       ILE  39   0.045   6.942  -6.150
  278    HA   ILE  39           HA       ILE  39  -0.462   5.089  -8.293
  279    HB   ILE  39           HB       ILE  39  -2.438   5.370  -6.037
  280   HG12  ILE  39          2HG1      ILE  39  -0.956   3.103  -7.336
  281   HG13  ILE  39          3HG1      ILE  39  -1.069   3.515  -5.628
  282   HG21  ILE  39          1HG2      ILE  39  -3.586   5.790  -8.162
  283   HG22  ILE  39          2HG2      ILE  39  -2.956   4.270  -8.796
  284   HG23  ILE  39          3HG2      ILE  39  -4.086   4.260  -7.441
  285   HD11  ILE  39          1HD1      ILE  39  -3.282   2.379  -7.320
  286   HD12  ILE  39          2HD1      ILE  39  -2.319   1.500  -6.133
  287   HD13  ILE  39          3HD1      ILE  39  -3.398   2.792  -5.610
  288    H    CYS  40           HN       CYS  40  -1.646   7.856  -6.424
  289    HA   CYS  40           HA       CYS  40  -2.866   8.992  -8.824
  290    HB2  CYS  40          2HB       CYS  40  -3.550  10.814  -7.125
  291    HB3  CYS  40          3HB       CYS  40  -4.310   9.231  -6.995
  292    H    ARG  41           HN       ARG  41  -0.172   9.464  -6.650
  293    HA   ARG  41           HA       ARG  41   0.579  12.059  -7.233
  294    HB2  ARG  41          2HB       ARG  41   2.784  11.471  -6.507
  295    HB3  ARG  41          3HB       ARG  41   1.641  10.544  -5.542
  296    HG2  ARG  41          2HG       ARG  41   2.305   8.562  -6.405
  297    HG3  ARG  41          3HG       ARG  41   2.665   9.247  -7.991
  298    HD2  ARG  41          2HD       ARG  41   4.813   9.063  -7.401
  299    HD3  ARG  41          3HD       ARG  41   4.517  10.463  -6.372
  300    HE   ARG  41           HE       ARG  41   3.824   8.078  -5.018
  301   HH11  ARG  41          1HH1      ARG  41   6.577   9.930  -6.071
  302   HH12  ARG  41          2HH1      ARG  41   7.617   9.344  -4.816
  303   HH21  ARG  41          1HH2      ARG  41   5.183   7.298  -3.360
  304   HH22  ARG  41          2HH2      ARG  41   6.823   7.846  -3.274
  305    H    LEU  42           HN       LEU  42   0.653   9.276  -9.257
  306    HA   LEU  42           HA       LEU  42   2.004  10.854 -11.343
  307    HB2  LEU  42          2HB       LEU  42   3.358   9.138 -11.965
  308    HB3  LEU  42          3HB       LEU  42   3.238   8.810 -10.238
  309    HG   LEU  42           HG       LEU  42   1.308   7.221 -10.923
  310   HD11  LEU  42          1HD1      LEU  42   0.845   7.110 -13.088
  311   HD12  LEU  42          2HD1      LEU  42   2.444   6.414 -13.352
  312   HD13  LEU  42          3HD1      LEU  42   2.208   8.156 -13.482
  313   HD21  LEU  42          1HD2      LEU  42   3.190   5.520 -11.668
  314   HD22  LEU  42          2HD2      LEU  42   3.084   6.118 -10.012
  315   HD23  LEU  42          3HD2      LEU  42   4.246   6.830 -11.135
  Start of MODEL    7
    1    H1   GLU   1           HN       GLU   1 -14.104  -4.002   6.159
    2    HA   GLU   1           HA       GLU   1 -13.899  -5.545   4.227
    3    HB2  GLU   1          2HB       GLU   1 -15.853  -3.312   3.663
    4    HB3  GLU   1          3HB       GLU   1 -15.963  -4.979   3.114
    5    HG2  GLU   1          2HG       GLU   1 -15.994  -5.561   5.628
    6    HG3  GLU   1          3HG       GLU   1 -16.407  -3.862   5.849
    7    H    GLU   2           HN       GLU   2 -11.629  -4.352   3.715
    8    HA   GLU   2           HA       GLU   2 -11.866  -3.581   0.903
    9    HB2  GLU   2          2HB       GLU   2  -9.954  -2.097   2.680
   10    HB3  GLU   2          3HB       GLU   2 -10.537  -1.659   1.081
   11    HG2  GLU   2          2HG       GLU   2 -11.705  -0.195   2.384
   12    HG3  GLU   2          3HG       GLU   2 -12.852  -1.530   2.278
   13    H    GLU   3           HN       GLU   3  -9.556  -3.460  -0.079
   14    HA   GLU   3           HA       GLU   3  -7.720  -5.361   1.152
   15    HB2  GLU   3          2HB       GLU   3  -9.047  -5.763  -1.525
   16    HB3  GLU   3          3HB       GLU   3  -7.538  -6.555  -1.094
   17    HG2  GLU   3          2HG       GLU   3  -8.531  -7.956   0.397
   18    HG3  GLU   3          3HG       GLU   3  -9.820  -6.815   0.781
   19    H    CYS   4           HN       CYS   4  -5.590  -5.246   0.356
   20    HA   CYS   4           HA       CYS   4  -4.452  -2.872  -0.104
   21    HB2  CYS   4          2HB       CYS   4  -3.235  -5.041   0.145
   22    HB3  CYS   4          3HB       CYS   4  -3.564  -5.375  -1.552
   23    H    CYS   5           HN       CYS   5  -3.700  -1.668  -1.915
   24    HA   CYS   5           HA       CYS   5  -5.432  -1.960  -4.276
   25    HB2  CYS   5          2HB       CYS   5  -5.440   0.171  -2.764
   26    HB3  CYS   5          3HB       CYS   5  -3.951   0.563  -3.616
   27    HG   CYS   5           HG       CYS   5  -7.063   0.200  -4.983
   28    H    ILE   6           HN       ILE   6  -2.831  -3.303  -3.732
   29    HA   ILE   6           HA       ILE   6  -1.512  -2.493  -6.222
   30    HB   ILE   6           HB       ILE   6  -0.021  -3.051  -3.655
   31   HG12  ILE   6          2HG1      ILE   6  -0.413  -0.485  -5.208
   32   HG13  ILE   6          3HG1      ILE   6  -1.055  -0.846  -3.609
   33   HG21  ILE   6          1HG2      ILE   6   1.017  -2.245  -6.369
   34   HG22  ILE   6          2HG2      ILE   6   1.981  -2.523  -4.919
   35   HG23  ILE   6          3HG2      ILE   6   1.120  -3.863  -5.675
   36   HD11  ILE   6          1HD1      ILE   6   1.450  -1.166  -2.985
   37   HD12  ILE   6          2HD1      ILE   6   1.730  -0.194  -4.429
   38   HD13  ILE   6          3HD1      ILE   6   0.763   0.452  -3.105
   39    H    CYS   7           HN       CYS   7  -0.901  -4.846  -3.611
   40    HA   CYS   7           HA       CYS   7  -0.426  -6.925  -5.570
   41    HB2  CYS   7          2HB       CYS   7   0.224  -8.300  -3.673
   42    HB3  CYS   7          3HB       CYS   7   0.994  -6.721  -3.552
   43    H    MET   8           HN       MET   8  -2.943  -5.929  -3.382
   44    HA   MET   8           HA       MET   8  -5.032  -6.722  -2.949
   45    HB2  MET   8          2HB       MET   8  -5.255  -8.295  -5.418
   46    HB3  MET   8          3HB       MET   8  -6.262  -6.982  -4.823
   47    HG2  MET   8          2HG       MET   8  -4.286  -5.469  -5.509
   48    HG3  MET   8          3HG       MET   8  -3.774  -6.853  -6.471
   49    HE1  MET   8          1HE       MET   8  -5.706  -6.590  -9.589
   50    HE2  MET   8          2HE       MET   8  -4.088  -6.349  -8.929
   51    HE3  MET   8          3HE       MET   8  -5.007  -7.795  -8.506
   52    H    ASP   9           HN       ASP   9  -2.956  -8.279  -1.892
   53    HA   ASP   9           HA       ASP   9  -4.342 -10.816  -1.618
   54    HB2  ASP   9          2HB       ASP   9  -2.125 -12.052  -1.884
   55    HB3  ASP   9          3HB       ASP   9  -2.886 -11.469  -3.362
   56    H    GLY  10           HN       GLY  10  -3.809  -8.478   0.061
   57    HA2  GLY  10          1HA       GLY  10  -2.771  -9.922   2.363
   58    HA3  GLY  10          2HA       GLY  10  -1.859  -8.497   1.886
   59    H    ARG  11           HN       ARG  11  -5.291  -8.555   1.415
   60    HA   ARG  11           HA       ARG  11  -6.948  -7.231   2.247
   61    HB2  ARG  11          2HB       ARG  11  -5.523  -8.265   4.655
   62    HB3  ARG  11          3HB       ARG  11  -6.742  -7.019   4.884
   63    HG2  ARG  11          2HG       ARG  11  -8.398  -8.473   4.630
   64    HG3  ARG  11          3HG       ARG  11  -7.692  -9.127   3.150
   65    HD2  ARG  11          2HD       ARG  11  -7.679 -10.959   4.565
   66    HD3  ARG  11          3HD       ARG  11  -6.047 -10.319   4.752
   67    HE   ARG  11           HE       ARG  11  -6.523  -9.863   6.940
   68   HH11  ARG  11          1HH1      ARG  11  -9.508 -10.342   5.212
   69   HH12  ARG  11          2HH1      ARG  11 -10.492 -10.292   6.636
   70   HH21  ARG  11          1HH2      ARG  11  -7.809  -9.794   8.822
   71   HH22  ARG  11          2HH2      ARG  11  -9.525  -9.978   8.690
   72    H    ALA  12           HN       ALA  12  -7.326  -5.275   3.880
   73    HA   ALA  12           HA       ALA  12  -5.151  -3.354   3.369
   74    HB1  ALA  12          1HB       ALA  12  -7.106  -1.659   3.559
   75    HB2  ALA  12          2HB       ALA  12  -6.898  -2.578   2.069
   76    HB3  ALA  12          3HB       ALA  12  -8.123  -3.063   3.240
   77    H    ASP  13           HN       ASP  13  -4.055  -3.315   5.263
   78    HA   ASP  13           HA       ASP  13  -5.481  -3.235   7.792
   79    HB2  ASP  13          2HB       ASP  13  -2.999  -4.211   7.008
   80    HB3  ASP  13          3HB       ASP  13  -2.609  -2.768   7.940
   81    H    LEU  14           HN       LEU  14  -4.482  -1.019   5.498
   82    HA   LEU  14           HA       LEU  14  -4.886   1.179   7.365
   83    HB2  LEU  14          2HB       LEU  14  -2.318   0.423   6.540
   84    HB3  LEU  14          3HB       LEU  14  -2.722   1.852   5.590
   85    HG   LEU  14           HG       LEU  14  -3.234   2.043   8.492
   86   HD11  LEU  14          1HD1      LEU  14  -1.221   1.368   9.145
   87   HD12  LEU  14          2HD1      LEU  14  -0.553   2.742   8.265
   88   HD13  LEU  14          3HD1      LEU  14  -0.676   1.169   7.479
   89   HD21  LEU  14          1HD2      LEU  14  -1.865   3.869   6.520
   90   HD22  LEU  14          2HD2      LEU  14  -2.400   4.286   8.148
   91   HD23  LEU  14          3HD2      LEU  14  -3.587   3.896   6.901
   92    H    ILE  15           HN       ILE  15  -6.378   2.440   6.495
   93    HA   ILE  15           HA       ILE  15  -6.578   2.581   3.562
   94    HB   ILE  15           HB       ILE  15  -8.672   3.098   5.673
   95   HG12  ILE  15          2HG1      ILE  15  -7.829   0.718   4.513
   96   HG13  ILE  15          3HG1      ILE  15  -9.357   0.985   5.347
   97   HG21  ILE  15          1HG2      ILE  15  -8.802   3.413   2.679
   98   HG22  ILE  15          2HG2      ILE  15 -10.213   3.383   3.736
   99   HG23  ILE  15          3HG2      ILE  15  -9.017   4.669   3.899
  100   HD11  ILE  15          1HD1      ILE  15  -8.941   1.384   2.396
  101   HD12  ILE  15          2HD1      ILE  15  -9.597  -0.078   3.132
  102   HD13  ILE  15          3HD1      ILE  15 -10.468   1.448   3.277
  103    H    LEU  16           HN       LEU  16  -5.348   4.283   2.960
  104    HA   LEU  16           HA       LEU  16  -4.943   6.636   4.423
  105    HB2  LEU  16          2HB       LEU  16  -4.586   5.850   1.569
  106    HB3  LEU  16          3HB       LEU  16  -4.437   7.549   2.013
  107    HG   LEU  16           HG       LEU  16  -2.800   5.346   3.260
  108   HD11  LEU  16          1HD1      LEU  16  -1.735   5.240   1.303
  109   HD12  LEU  16          2HD1      LEU  16  -1.107   6.838   1.702
  110   HD13  LEU  16          3HD1      LEU  16  -2.538   6.684   0.684
  111   HD21  LEU  16          1HD2      LEU  16  -2.427   8.338   3.222
  112   HD22  LEU  16          2HD2      LEU  16  -1.406   7.160   4.045
  113   HD23  LEU  16          3HD2      LEU  16  -3.068   7.412   4.578
  114    HA   PRO  17           HA       PRO  17  -8.507   9.114   3.781
  115    HB2  PRO  17          2HB       PRO  17  -7.435  11.586   3.458
  116    HB3  PRO  17          3HB       PRO  17  -7.470  10.750   5.015
  117    HG2  PRO  17          2HG       PRO  17  -5.228  10.995   3.046
  118    HG3  PRO  17          3HG       PRO  17  -5.186  11.137   4.813
  119    HD2  PRO  17          2HD       PRO  17  -4.425   8.887   3.513
  120    HD3  PRO  17          3HD       PRO  17  -5.175   8.853   5.122
  121    H    CYS  18           HN       CYS  18  -6.457   8.390   1.309
  122    HA   CYS  18           HA       CYS  18  -7.843  10.092  -0.645
  123    HB2  CYS  18          2HB       CYS  18  -5.393  10.184  -0.719
  124    HB3  CYS  18          3HB       CYS  18  -5.326   8.439  -0.946
  125    H    ALA  19           HN       ALA  19  -8.250   7.187   0.731
  126    HA   ALA  19           HA       ALA  19  -9.644   5.451   0.190
  127    HB1  ALA  19          1HB       ALA  19  -9.843   6.454  -2.628
  128    HB2  ALA  19          2HB       ALA  19 -11.016   5.523  -1.696
  129    HB3  ALA  19          3HB       ALA  19 -10.733   7.221  -1.312
  130    H    HIS  20           HN       HIS  20  -6.689   5.614  -0.287
  131    HA   HIS  20           HA       HIS  20  -6.466   3.372  -2.189
  132    HB2  HIS  20          2HB       HIS  20  -4.685   5.723  -1.683
  133    HB3  HIS  20          3HB       HIS  20  -3.967   4.207  -2.221
  134    HD2  HIS  20          2HD       HIS  20  -6.090   3.360  -4.526
  135    HE1  HIS  20          1HE       HIS  20  -5.335   7.220  -6.119
  136    HE2  HIS  20          2HE       HIS  20  -6.320   4.944  -6.559
  137    H    SER  21           HN       SER  21  -6.657   1.696  -0.754
  138    HA   SER  21           HA       SER  21  -5.318   1.623   1.760
  139    HB2  SER  21          2HB       SER  21  -6.217  -0.546   2.012
  140    HB3  SER  21          3HB       SER  21  -7.418   0.319   1.053
  141    HG   SER  21           HG       SER  21  -6.051  -0.629  -0.785
  142    H    PHE  22           HN       PHE  22  -3.716  -0.040   2.360
  143    HA   PHE  22           HA       PHE  22  -2.066  -1.188   0.315
  144    HB2  PHE  22          2HB       PHE  22  -0.941   1.081   1.968
  145    HB3  PHE  22          3HB       PHE  22  -0.015   0.051   0.881
  146    HD1  PHE  22          1HD       PHE  22  -2.063   2.973   1.177
  147    HD2  PHE  22          2HD       PHE  22  -0.554   0.102  -1.580
  148    HE1  PHE  22          1HE       PHE  22  -2.549   4.509  -0.683
  149    HE2  PHE  22          2HE       PHE  22  -1.037   1.634  -3.444
  150    HZ   PHE  22           HZ       PHE  22  -2.034   3.841  -2.997
  151    H    CYS  23           HN       CYS  23  -2.074  -3.142   1.276
  152    HA   CYS  23           HA       CYS  23  -2.145  -3.774   3.942
  153    HB2  CYS  23          2HB       CYS  23  -1.358  -5.956   3.359
  154    HB3  CYS  23          3HB       CYS  23  -2.316  -5.370   2.002
  155    H    GLN  24           HN       GLN  24  -0.470  -4.630   5.378
  156    HA   GLN  24           HA       GLN  24   1.560  -2.813   5.888
  157    HB2  GLN  24          2HB       GLN  24   1.024  -5.616   6.778
  158    HB3  GLN  24          3HB       GLN  24   2.556  -4.865   7.199
  159    HG2  GLN  24          2HG       GLN  24  -0.014  -3.455   7.763
  160    HG3  GLN  24          3HG       GLN  24   0.564  -4.725   8.840
  161   HE21  GLN  24          1HE2      GLN  24   1.114  -1.527   7.616
  162   HE22  GLN  24          2HE2      GLN  24   2.311  -1.066   8.773
  163    H    LYS  25           HN       LYS  25   1.888  -6.069   4.473
  164    HA   LYS  25           HA       LYS  25   4.525  -6.273   4.009
  165    HB2  LYS  25          2HB       LYS  25   2.141  -7.262   2.698
  166    HB3  LYS  25          3HB       LYS  25   3.435  -7.010   1.534
  167    HG2  LYS  25          2HG       LYS  25   3.526  -8.724   4.005
  168    HG3  LYS  25          3HG       LYS  25   3.529  -9.266   2.325
  169    HD2  LYS  25          2HD       LYS  25   5.668  -7.726   2.194
  170    HD3  LYS  25          3HD       LYS  25   5.711  -8.028   3.932
  171    HE2  LYS  25          2HE       LYS  25   5.370 -10.312   2.037
  172    HE3  LYS  25          3HE       LYS  25   6.971  -9.618   2.286
  173    HZ1  LYS  25          1HZ       LYS  25   5.723 -10.030   4.778
  174    HZ2  LYS  25          2HZ       LYS  25   7.146 -10.722   4.181
  175    HZ3  LYS  25          3HZ       LYS  25   5.655 -11.467   3.886
  176    H    CYS  26           HN       CYS  26   2.364  -4.759   1.601
  177    HA   CYS  26           HA       CYS  26   4.426  -3.695   0.023
  178    HB2  CYS  26          2HB       CYS  26   1.546  -2.832   0.339
  179    HB3  CYS  26          3HB       CYS  26   2.631  -2.202  -0.897
  180    H    ILE  27           HN       ILE  27   2.730  -2.428   2.821
  181    HA   ILE  27           HA       ILE  27   3.699   0.234   2.619
  182    HB   ILE  27           HB       ILE  27   2.092  -1.285   4.482
  183   HG12  ILE  27          2HG1      ILE  27   2.376   1.710   4.269
  184   HG13  ILE  27          3HG1      ILE  27   1.527   0.763   3.052
  185   HG21  ILE  27          1HG2      ILE  27   2.687  -0.086   6.524
  186   HG22  ILE  27          2HG2      ILE  27   4.032  -1.071   5.949
  187   HG23  ILE  27          3HG2      ILE  27   4.043   0.673   5.689
  188   HD11  ILE  27          1HD1      ILE  27   0.623   1.688   5.620
  189   HD12  ILE  27          2HD1      ILE  27  -0.296   0.994   4.283
  190   HD13  ILE  27          3HD1      ILE  27   0.452  -0.063   5.481
  191    H    ASP  28           HN       ASP  28   5.136  -2.701   3.615
  192    HA   ASP  28           HA       ASP  28   7.177  -1.395   5.232
  193    HB2  ASP  28          2HB       ASP  28   6.080  -3.725   5.675
  194    HB3  ASP  28          3HB       ASP  28   7.234  -4.297   4.474
  195    H    LYS  29           HN       LYS  29   6.813  -2.992   2.118
  196    HA   LYS  29           HA       LYS  29   9.600  -2.924   1.473
  197    HB2  LYS  29          2HB       LYS  29   7.174  -3.941   0.292
  198    HB3  LYS  29          3HB       LYS  29   8.110  -3.069  -0.913
  199    HG2  LYS  29          2HG       LYS  29   9.764  -4.602  -0.939
  200    HG3  LYS  29          3HG       LYS  29   9.617  -4.950   0.785
  201    HD2  LYS  29          2HD       LYS  29   8.671  -6.872   0.123
  202    HD3  LYS  29          3HD       LYS  29   7.241  -5.887  -0.199
  203    HE2  LYS  29          2HE       LYS  29   9.412  -6.487  -2.206
  204    HE3  LYS  29          3HE       LYS  29   7.877  -7.349  -2.096
  205    HZ1  LYS  29          1HZ       LYS  29   7.575  -4.495  -2.246
  206    HZ2  LYS  29          2HZ       LYS  29   6.810  -5.711  -3.139
  207    HZ3  LYS  29          3HZ       LYS  29   8.336  -5.152  -3.608
  208    H    TRP  30           HN       TRP  30   6.887  -1.286  -0.163
  209    HA   TRP  30           HA       TRP  30   8.452   0.604  -1.487
  210    HB2  TRP  30          2HB       TRP  30   5.557   0.746  -0.621
  211    HB3  TRP  30          3HB       TRP  30   6.318   1.896  -1.718
  212    HD1  TRP  30          1HD       TRP  30   4.342  -1.176  -1.782
  213    HE1  TRP  30          1HE       TRP  30   4.451  -2.303  -4.093
  214    HE3  TRP  30          3HE       TRP  30   8.291   1.402  -3.758
  215    HZ2  TRP  30          2HZ       TRP  30   6.006  -2.124  -6.442
  216    HZ3  TRP  30          3HZ       TRP  30   9.026   0.862  -6.042
  217    HH2  TRP  30          2HH       TRP  30   7.907  -0.864  -7.356
  218    H    SER  31           HN       SER  31   6.407   1.163   1.388
  219    HA   SER  31           HA       SER  31   6.666   2.547   3.180
  220    HB2  SER  31          2HB       SER  31   9.219   1.704   2.682
  221    HB3  SER  31          3HB       SER  31   9.397   3.453   2.550
  222    HG   SER  31           HG       SER  31   8.949   1.900   4.758
  223    H    ASP  32           HN       ASP  32   5.348   3.608   1.135
  224    HA   ASP  32           HA       ASP  32   6.506   6.117   0.295
  225    HB2  ASP  32          2HB       ASP  32   4.020   4.600  -0.286
  226    HB3  ASP  32          3HB       ASP  32   3.943   6.349  -0.474
  227    H    ARG  33           HN       ARG  33   6.803   7.442   2.030
  228    HA   ARG  33           HA       ARG  33   4.378   8.204   3.521
  229    HB2  ARG  33          2HB       ARG  33   7.202   7.817   4.464
  230    HB3  ARG  33          3HB       ARG  33   6.116   8.902   5.323
  231    HG2  ARG  33          2HG       ARG  33   4.791   7.201   6.084
  232    HG3  ARG  33          3HG       ARG  33   5.185   6.142   4.729
  233    HD2  ARG  33          2HD       ARG  33   6.280   5.175   6.553
  234    HD3  ARG  33          3HD       ARG  33   7.545   6.067   5.710
  235    HE   ARG  33           HE       ARG  33   6.325   7.633   7.753
  236   HH11  ARG  33          1HH1      ARG  33   8.647   5.105   7.182
  237   HH12  ARG  33          2HH1      ARG  33   9.570   5.451   8.607
  238   HH21  ARG  33          1HH2      ARG  33   7.530   8.099   9.632
  239   HH22  ARG  33          2HH2      ARG  33   8.933   7.154  10.001
  240    H    HIS  34           HN       HIS  34   5.093   9.404   1.100
  241    HA   HIS  34           HA       HIS  34   6.367  11.936   1.811
  242    HB2  HIS  34          2HB       HIS  34   5.663  10.595  -0.777
  243    HB3  HIS  34          3HB       HIS  34   5.938  12.333  -0.741
  244    HD2  HIS  34          2HD       HIS  34   7.925   9.147  -1.108
  245    HE1  HIS  34          1HE       HIS  34  10.710  12.139   0.031
  246    HE2  HIS  34          2HE       HIS  34  10.413   9.834  -0.940
  247    H    ARG  35           HN       ARG  35   3.606  11.035   2.648
  248    HA   ARG  35           HA       ARG  35   1.672  12.147   3.152
  249    HB2  ARG  35          2HB       ARG  35   3.275  14.205   2.842
  250    HB3  ARG  35          3HB       ARG  35   2.380  14.425   1.344
  251    HG2  ARG  35          2HG       ARG  35   1.073  15.698   2.661
  252    HG3  ARG  35          3HG       ARG  35   0.329  14.144   3.041
  253    HD2  ARG  35          2HD       ARG  35   1.879  13.953   4.982
  254    HD3  ARG  35          3HD       ARG  35   2.441  15.588   4.633
  255    HE   ARG  35           HE       ARG  35  -0.056  14.829   5.859
  256   HH11  ARG  35          1HH1      ARG  35   1.690  17.314   4.158
  257   HH12  ARG  35          2HH1      ARG  35   0.690  18.601   4.744
  258   HH21  ARG  35          1HH2      ARG  35  -1.380  16.515   6.639
  259   HH22  ARG  35          2HH2      ARG  35  -1.056  18.146   6.157
  260    H    ASN  36           HN       ASN  36   2.531  10.848   0.361
  261    HA   ASN  36           HA       ASN  36  -0.131  11.232  -0.820
  262    HB2  ASN  36          2HB       ASN  36   1.831  10.701  -2.868
  263    HB3  ASN  36          3HB       ASN  36   0.687  12.035  -2.744
  264   HD21  ASN  36          1HD2      ASN  36   3.909  11.148  -2.694
  265   HD22  ASN  36          2HD2      ASN  36   4.578  12.623  -2.094
  266    H    CYS  37           HN       CYS  37  -0.022   9.503  -2.893
  267    HA   CYS  37           HA       CYS  37   0.625   6.924  -1.619
  268    HB2  CYS  37          2HB       CYS  37  -1.385   6.580  -3.610
  269    HB3  CYS  37          3HB       CYS  37  -1.507   6.310  -1.875
  270    HA   PRO  38           HA       PRO  38   3.106   5.921  -5.101
  271    HB2  PRO  38          2HB       PRO  38   2.810   3.223  -5.168
  272    HB3  PRO  38          3HB       PRO  38   3.763   4.055  -3.933
  273    HG2  PRO  38          2HG       PRO  38   0.964   3.006  -3.778
  274    HG3  PRO  38          3HG       PRO  38   2.267   2.898  -2.580
  275    HD2  PRO  38          2HD       PRO  38   0.269   4.717  -2.401
  276    HD3  PRO  38          3HD       PRO  38   1.913   5.044  -1.818
  277    H    ILE  39           HN       ILE  39  -0.196   5.786  -5.175
  278    HA   ILE  39           HA       ILE  39  -0.228   4.863  -7.974
  279    HB   ILE  39           HB       ILE  39  -2.627   4.895  -6.154
  280   HG12  ILE  39          2HG1      ILE  39  -0.603   2.710  -6.632
  281   HG13  ILE  39          3HG1      ILE  39  -1.139   3.374  -5.093
  282   HG21  ILE  39          1HG2      ILE  39  -3.225   4.860  -8.455
  283   HG22  ILE  39          2HG2      ILE  39  -2.024   3.620  -8.813
  284   HG23  ILE  39          3HG2      ILE  39  -3.440   3.222  -7.841
  285   HD11  ILE  39          1HD1      ILE  39  -2.450   1.394  -6.869
  286   HD12  ILE  39          2HD1      ILE  39  -2.286   1.411  -5.112
  287   HD13  ILE  39          3HD1      ILE  39  -3.468   2.457  -5.900
  288    H    CYS  40           HN       CYS  40  -0.305   7.559  -6.118
  289    HA   CYS  40           HA       CYS  40  -2.099   8.988  -7.969
  290    HB2  CYS  40          2HB       CYS  40  -1.560   9.290  -5.056
  291    HB3  CYS  40          3HB       CYS  40  -1.880  10.755  -5.981
  292    H    ARG  41           HN       ARG  41   1.106   8.529  -7.052
  293    HA   ARG  41           HA       ARG  41   2.185  11.109  -7.397
  294    HB2  ARG  41          2HB       ARG  41   4.332   9.901  -7.808
  295    HB3  ARG  41          3HB       ARG  41   3.503   9.404  -6.339
  296    HG2  ARG  41          2HG       ARG  41   3.753   7.315  -7.037
  297    HG3  ARG  41          3HG       ARG  41   2.544   7.670  -8.273
  298    HD2  ARG  41          2HD       ARG  41   4.172   7.052  -9.697
  299    HD3  ARG  41          3HD       ARG  41   4.763   8.692  -9.432
  300    HE   ARG  41           HE       ARG  41   5.954   7.284  -7.456
  301   HH11  ARG  41          1HH1      ARG  41   5.734   6.845 -10.903
  302   HH12  ARG  41          2HH1      ARG  41   7.271   6.055 -11.032
  303   HH21  ARG  41          1HH2      ARG  41   7.979   6.246  -7.613
  304   HH22  ARG  41          2HH2      ARG  41   8.546   5.714  -9.161
  305    H    LEU  42           HN       LEU  42   0.762   9.008  -9.619
  306    HA   LEU  42           HA       LEU  42   2.197  10.199 -11.887
  307    HB2  LEU  42          2HB       LEU  42   0.885   8.418 -13.178
  308    HB3  LEU  42          3HB       LEU  42   2.222   7.897 -12.156
  309    HG   LEU  42           HG       LEU  42  -0.541   7.851 -11.037
  310   HD11  LEU  42          1HD1      LEU  42  -1.283   6.106 -12.237
  311   HD12  LEU  42          2HD1      LEU  42   0.320   5.382 -12.369
  312   HD13  LEU  42          3HD1      LEU  42  -0.148   6.691 -13.454
  313   HD21  LEU  42          1HD2      LEU  42   0.842   5.555 -10.373
  314   HD22  LEU  42          2HD2      LEU  42   0.678   7.001  -9.376
  315   HD23  LEU  42          3HD2      LEU  42   2.092   6.799 -10.412
  Start of MODEL    8
    1    H1   GLU   1           HN       GLU   1 -10.405  -6.122   7.560
    2    HA   GLU   1           HA       GLU   1 -11.745  -4.480   6.156
    3    HB2  GLU   1          2HB       GLU   1 -10.000  -4.007   8.267
    4    HB3  GLU   1          3HB       GLU   1  -9.532  -2.819   7.059
    5    HG2  GLU   1          2HG       GLU   1 -12.343  -3.211   8.054
    6    HG3  GLU   1          3HG       GLU   1 -11.219  -2.005   8.678
    7    H    GLU   2           HN       GLU   2 -11.804  -4.061   4.053
    8    HA   GLU   2           HA       GLU   2 -11.183  -3.509   1.934
    9    HB2  GLU   2          2HB       GLU   2  -9.317  -1.871   3.617
   10    HB3  GLU   2          3HB       GLU   2  -9.165  -1.855   1.866
   11    HG2  GLU   2          2HG       GLU   2 -11.862  -1.399   2.995
   12    HG3  GLU   2          3HG       GLU   2 -10.668  -0.118   3.194
   13    H    GLU   3           HN       GLU   3  -9.039  -3.304   0.472
   14    HA   GLU   3           HA       GLU   3  -7.182  -5.454   1.186
   15    HB2  GLU   3          2HB       GLU   3  -8.655  -5.299  -1.450
   16    HB3  GLU   3          3HB       GLU   3  -7.398  -6.460  -1.044
   17    HG2  GLU   3          2HG       GLU   3  -8.947  -7.125   0.902
   18    HG3  GLU   3          3HG       GLU   3 -10.197  -6.277  -0.009
   19    H    CYS   4           HN       CYS   4  -5.125  -5.183   0.445
   20    HA   CYS   4           HA       CYS   4  -4.028  -2.767  -0.007
   21    HB2  CYS   4          2HB       CYS   4  -2.767  -4.901   0.284
   22    HB3  CYS   4          3HB       CYS   4  -3.092  -5.280  -1.405
   23    H    CYS   5           HN       CYS   5  -3.612  -1.387  -1.689
   24    HA   CYS   5           HA       CYS   5  -5.336  -1.664  -4.003
   25    HB2  CYS   5          2HB       CYS   5  -4.056   0.517  -2.578
   26    HB3  CYS   5          3HB       CYS   5  -3.809   0.655  -4.315
   27    HG   CYS   5           HG       CYS   5  -6.759   0.672  -2.608
   28    H    ILE   6           HN       ILE   6  -2.000  -2.038  -3.192
   29    HA   ILE   6           HA       ILE   6  -1.117  -1.944  -5.959
   30    HB   ILE   6           HB       ILE   6   0.539  -2.799  -3.595
   31   HG12  ILE   6          2HG1      ILE   6  -0.237  -0.044  -4.510
   32   HG13  ILE   6          3HG1      ILE   6  -0.217  -0.699  -2.876
   33   HG21  ILE   6          1HG2      ILE   6   1.447  -1.366  -6.069
   34   HG22  ILE   6          2HG2      ILE   6   2.398  -2.312  -4.926
   35   HG23  ILE   6          3HG2      ILE   6   1.280  -3.121  -6.023
   36   HD11  ILE   6          1HD1      ILE   6   2.376  -0.871  -3.388
   37   HD12  ILE   6          2HD1      ILE   6   1.978   0.446  -4.492
   38   HD13  ILE   6          3HD1      ILE   6   1.629   0.604  -2.771
   39    H    CYS   7           HN       CYS   7  -0.544  -4.347  -3.391
   40    HA   CYS   7           HA       CYS   7  -0.591  -6.456  -5.410
   41    HB2  CYS   7          2HB       CYS   7   0.523  -7.829  -3.839
   42    HB3  CYS   7          3HB       CYS   7   1.247  -6.235  -3.653
   43    H    MET   8           HN       MET   8  -3.080  -5.331  -4.935
   44    HA   MET   8           HA       MET   8  -4.797  -6.184  -3.086
   45    HB2  MET   8          2HB       MET   8  -6.526  -6.430  -4.837
   46    HB3  MET   8          3HB       MET   8  -5.550  -4.984  -5.053
   47    HG2  MET   8          2HG       MET   8  -4.157  -6.437  -6.661
   48    HG3  MET   8          3HG       MET   8  -5.555  -7.509  -6.650
   49    HE1  MET   8          1HE       MET   8  -6.124  -7.623  -8.712
   50    HE2  MET   8          2HE       MET   8  -7.695  -6.823  -8.751
   51    HE3  MET   8          3HE       MET   8  -6.441  -6.364  -9.905
   52    H    ASP   9           HN       ASP   9  -4.272  -8.070  -2.022
   53    HA   ASP   9           HA       ASP   9  -5.144 -10.513  -3.332
   54    HB2  ASP   9          2HB       ASP   9  -3.181 -11.695  -3.215
   55    HB3  ASP   9          3HB       ASP   9  -2.528 -10.084  -3.505
   56    H    GLY  10           HN       GLY  10  -3.847  -9.009  -0.394
   57    HA2  GLY  10          1HA       GLY  10  -5.399 -10.930   1.212
   58    HA3  GLY  10          2HA       GLY  10  -4.045  -9.975   1.800
   59    H    ARG  11           HN       ARG  11  -4.612  -8.406   3.135
   60    HA   ARG  11           HA       ARG  11  -7.254  -7.149   2.771
   61    HB2  ARG  11          2HB       ARG  11  -5.709  -7.403   5.356
   62    HB3  ARG  11          3HB       ARG  11  -7.343  -6.785   5.159
   63    HG2  ARG  11          2HG       ARG  11  -8.005  -8.842   5.694
   64    HG3  ARG  11          3HG       ARG  11  -7.519  -9.287   4.057
   65    HD2  ARG  11          2HD       ARG  11  -6.117 -10.742   4.995
   66    HD3  ARG  11          3HD       ARG  11  -5.157  -9.351   5.498
   67    HE   ARG  11           HE       ARG  11  -5.711  -9.888   7.634
   68   HH11  ARG  11          1HH1      ARG  11  -8.270 -10.982   5.544
   69   HH12  ARG  11          2HH1      ARG  11  -9.209 -11.662   6.832
   70   HH21  ARG  11          1HH2      ARG  11  -6.937 -10.779   9.339
   71   HH22  ARG  11          2HH2      ARG  11  -8.450 -11.544   8.990
   72    H    ALA  12           HN       ALA  12  -6.989  -5.019   4.471
   73    HA   ALA  12           HA       ALA  12  -4.661  -3.525   3.480
   74    HB1  ALA  12          1HB       ALA  12  -6.102  -2.555   2.036
   75    HB2  ALA  12          2HB       ALA  12  -7.517  -2.945   3.014
   76    HB3  ALA  12          3HB       ALA  12  -6.498  -1.571   3.445
   77    H    ASP  13           HN       ASP  13  -3.595  -3.335   5.384
   78    HA   ASP  13           HA       ASP  13  -4.784  -2.964   7.904
   79    HB2  ASP  13          2HB       ASP  13  -2.527  -3.787   7.758
   80    HB3  ASP  13          3HB       ASP  13  -2.000  -2.335   6.913
   81    H    LEU  14           HN       LEU  14  -3.531  -0.662   5.533
   82    HA   LEU  14           HA       LEU  14  -4.709   1.513   7.134
   83    HB2  LEU  14          2HB       LEU  14  -2.177   1.316   5.605
   84    HB3  LEU  14          3HB       LEU  14  -3.024   2.861   5.571
   85    HG   LEU  14           HG       LEU  14  -2.923   2.144   8.269
   86   HD11  LEU  14          1HD1      LEU  14  -1.275   0.481   7.955
   87   HD12  LEU  14          2HD1      LEU  14  -0.428   1.909   8.552
   88   HD13  LEU  14          3HD1      LEU  14  -0.359   1.495   6.839
   89   HD21  LEU  14          1HD2      LEU  14  -1.013   3.993   6.863
   90   HD22  LEU  14          2HD2      LEU  14  -1.657   4.122   8.501
   91   HD23  LEU  14          3HD2      LEU  14  -2.714   4.387   7.114
   92    H    ILE  15           HN       ILE  15  -5.973   3.032   6.107
   93    HA   ILE  15           HA       ILE  15  -6.500   2.617   3.244
   94    HB   ILE  15           HB       ILE  15  -8.635   3.085   5.328
   95   HG12  ILE  15          2HG1      ILE  15  -8.701   0.631   3.704
   96   HG13  ILE  15          3HG1      ILE  15  -7.355   0.718   4.834
   97   HG21  ILE  15          1HG2      ILE  15  -9.708   2.179   2.888
   98   HG22  ILE  15          2HG2      ILE  15  -9.896   3.765   3.635
   99   HG23  ILE  15          3HG2      ILE  15  -8.580   3.477   2.497
  100   HD11  ILE  15          1HD1      ILE  15  -8.980  -0.334   6.073
  101   HD12  ILE  15          2HD1      ILE  15  -9.183   1.350   6.558
  102   HD13  ILE  15          3HD1      ILE  15 -10.283   0.632   5.381
  103    H    LEU  16           HN       LEU  16  -5.121   4.473   2.964
  104    HA   LEU  16           HA       LEU  16  -5.238   6.937   4.064
  105    HB2  LEU  16          2HB       LEU  16  -4.918   6.136   1.190
  106    HB3  LEU  16          3HB       LEU  16  -4.804   7.821   1.696
  107    HG   LEU  16           HG       LEU  16  -3.033   5.603   2.721
  108   HD11  LEU  16          1HD1      LEU  16  -1.500   6.055   1.116
  109   HD12  LEU  16          2HD1      LEU  16  -1.992   7.741   0.960
  110   HD13  LEU  16          3HD1      LEU  16  -2.949   6.470   0.200
  111   HD21  LEU  16          1HD2      LEU  16  -2.120   8.363   2.899
  112   HD22  LEU  16          2HD2      LEU  16  -2.133   7.092   4.121
  113   HD23  LEU  16          3HD2      LEU  16  -3.582   8.055   3.836
  114    HA   PRO  17           HA       PRO  17  -9.173   8.763   3.401
  115    HB2  PRO  17          2HB       PRO  17  -8.504  11.375   3.080
  116    HB3  PRO  17          3HB       PRO  17  -8.425  10.547   4.640
  117    HG2  PRO  17          2HG       PRO  17  -6.226  11.142   2.699
  118    HG3  PRO  17          3HG       PRO  17  -6.230  11.293   4.466
  119    HD2  PRO  17          2HD       PRO  17  -5.103   9.189   3.186
  120    HD3  PRO  17          3HD       PRO  17  -5.859   9.039   4.784
  121    H    CYS  18           HN       CYS  18  -6.998   8.375   0.958
  122    HA   CYS  18           HA       CYS  18  -8.626   9.815  -1.020
  123    HB2  CYS  18          2HB       CYS  18  -6.267  10.373  -1.112
  124    HB3  CYS  18          3HB       CYS  18  -5.834   8.669  -1.218
  125    H    ALA  19           HN       ALA  19  -8.506   6.874   0.354
  126    HA   ALA  19           HA       ALA  19  -9.655   4.961  -0.219
  127    HB1  ALA  19          1HB       ALA  19 -10.973   4.871  -2.070
  128    HB2  ALA  19          2HB       ALA  19 -10.698   6.612  -2.016
  129    HB3  ALA  19          3HB       ALA  19  -9.754   5.605  -3.112
  130    H    HIS  20           HN       HIS  20  -6.719   5.576  -0.468
  131    HA   HIS  20           HA       HIS  20  -5.994   3.318  -2.219
  132    HB2  HIS  20          2HB       HIS  20  -4.596   5.915  -1.665
  133    HB3  HIS  20          3HB       HIS  20  -3.671   4.501  -2.160
  134    HD2  HIS  20          2HD       HIS  20  -5.633   3.408  -4.535
  135    HE1  HIS  20          1HE       HIS  20  -5.169   7.304  -6.150
  136    HE2  HIS  20          2HE       HIS  20  -5.926   4.943  -6.596
  137    H    SER  21           HN       SER  21  -6.127   1.730  -0.649
  138    HA   SER  21           HA       SER  21  -4.773   2.030   1.880
  139    HB2  SER  21          2HB       SER  21  -6.164  -0.331   0.597
  140    HB3  SER  21          3HB       SER  21  -5.470  -0.356   2.217
  141    HG   SER  21           HG       SER  21  -7.838   0.639   1.390
  142    H    PHE  22           HN       PHE  22  -3.273   0.214   2.596
  143    HA   PHE  22           HA       PHE  22  -1.653  -1.008   0.557
  144    HB2  PHE  22          2HB       PHE  22  -0.467   1.176   2.282
  145    HB3  PHE  22          3HB       PHE  22   0.447   0.112   1.217
  146    HD1  PHE  22          1HD       PHE  22   0.317   0.356  -1.198
  147    HD2  PHE  22          2HD       PHE  22  -1.783   2.986   1.409
  148    HE1  PHE  22          1HE       PHE  22  -0.021   1.927  -3.061
  149    HE2  PHE  22          2HE       PHE  22  -2.124   4.560  -0.450
  150    HZ   PHE  22           HZ       PHE  22  -1.244   4.032  -2.689
  151    H    CYS  23           HN       CYS  23  -1.607  -2.985   1.419
  152    HA   CYS  23           HA       CYS  23  -1.879  -3.740   4.038
  153    HB2  CYS  23          2HB       CYS  23  -0.969  -5.875   3.427
  154    HB3  CYS  23          3HB       CYS  23  -1.868  -5.260   2.045
  155    H    GLN  24           HN       GLN  24  -0.033  -5.030   5.240
  156    HA   GLN  24           HA       GLN  24   1.863  -3.057   6.071
  157    HB2  GLN  24          2HB       GLN  24   0.786  -4.707   7.607
  158    HB3  GLN  24          3HB       GLN  24   1.733  -5.976   6.842
  159    HG2  GLN  24          2HG       GLN  24   3.207  -5.590   8.465
  160    HG3  GLN  24          3HG       GLN  24   3.662  -4.177   7.515
  161   HE21  GLN  24          1HE2      GLN  24   3.825  -2.413   8.677
  162   HE22  GLN  24          2HE2      GLN  24   2.878  -2.006  10.062
  163    H    LYS  25           HN       LYS  25   1.971  -5.962   4.105
  164    HA   LYS  25           HA       LYS  25   4.698  -6.417   3.978
  165    HB2  LYS  25          2HB       LYS  25   2.846  -6.658   1.608
  166    HB3  LYS  25          3HB       LYS  25   4.296  -7.597   1.941
  167    HG2  LYS  25          2HG       LYS  25   3.002  -8.346   4.067
  168    HG3  LYS  25          3HG       LYS  25   1.584  -7.804   3.167
  169    HD2  LYS  25          2HD       LYS  25   3.514  -9.553   1.747
  170    HD3  LYS  25          3HD       LYS  25   2.521 -10.294   3.004
  171    HE2  LYS  25          2HE       LYS  25   0.695 -10.239   1.721
  172    HE3  LYS  25          3HE       LYS  25   0.977  -8.560   1.262
  173    HZ1  LYS  25          1HZ       LYS  25   1.213  -9.589  -0.740
  174    HZ2  LYS  25          2HZ       LYS  25   1.828 -11.020  -0.081
  175    HZ3  LYS  25          3HZ       LYS  25   2.820  -9.656  -0.213
  176    H    CYS  26           HN       CYS  26   2.906  -4.759   1.381
  177    HA   CYS  26           HA       CYS  26   5.079  -3.659   0.089
  178    HB2  CYS  26          2HB       CYS  26   2.348  -2.385   0.356
  179    HB3  CYS  26          3HB       CYS  26   3.526  -2.073  -0.914
  180    H    ILE  27           HN       ILE  27   3.287  -2.401   2.851
  181    HA   ILE  27           HA       ILE  27   4.505   0.144   2.935
  182    HB   ILE  27           HB       ILE  27   2.701  -1.380   4.601
  183   HG12  ILE  27          2HG1      ILE  27   3.267   1.588   4.586
  184   HG13  ILE  27          3HG1      ILE  27   2.300   0.784   3.356
  185   HG21  ILE  27          1HG2      ILE  27   4.774   0.272   6.036
  186   HG22  ILE  27          2HG2      ILE  27   3.304  -0.380   6.758
  187   HG23  ILE  27          3HG2      ILE  27   4.556  -1.472   6.166
  188   HD11  ILE  27          1HD1      ILE  27   1.665   0.748   6.293
  189   HD12  ILE  27          2HD1      ILE  27   0.973   1.882   5.132
  190   HD13  ILE  27          3HD1      ILE  27   0.658   0.153   4.974
  191    H    ASP  28           HN       ASP  28   5.532  -2.995   4.003
  192    HA   ASP  28           HA       ASP  28   7.708  -1.898   5.601
  193    HB2  ASP  28          2HB       ASP  28   6.232  -4.110   5.980
  194    HB3  ASP  28          3HB       ASP  28   7.553  -4.812   5.049
  195    H    LYS  29           HN       LYS  29   7.114  -3.120   2.439
  196    HA   LYS  29           HA       LYS  29   9.930  -3.618   1.896
  197    HB2  LYS  29          2HB       LYS  29   7.364  -4.117   0.477
  198    HB3  LYS  29          3HB       LYS  29   8.803  -3.905  -0.512
  199    HG2  LYS  29          2HG       LYS  29   9.445  -5.686   1.601
  200    HG3  LYS  29          3HG       LYS  29   7.928  -6.216   0.868
  201    HD2  LYS  29          2HD       LYS  29   9.372  -7.270  -0.538
  202    HD3  LYS  29          3HD       LYS  29   9.296  -5.711  -1.362
  203    HE2  LYS  29          2HE       LYS  29  11.338  -6.175   0.771
  204    HE3  LYS  29          3HE       LYS  29  11.605  -6.811  -0.851
  205    HZ1  LYS  29          1HZ       LYS  29  11.301  -4.553  -1.716
  206    HZ2  LYS  29          2HZ       LYS  29  12.602  -4.646  -0.639
  207    HZ3  LYS  29          3HZ       LYS  29  11.135  -3.966  -0.138
  208    H    TRP  30           HN       TRP  30   7.512  -1.873  -0.039
  209    HA   TRP  30           HA       TRP  30   9.468   0.312  -0.339
  210    HB2  TRP  30          2HB       TRP  30   9.362   0.113  -2.564
  211    HB3  TRP  30          3HB       TRP  30   8.410  -1.353  -2.341
  212    HD1  TRP  30          1HD       TRP  30   5.686  -1.042  -2.418
  213    HE1  TRP  30          1HE       TRP  30   4.255   0.666  -3.707
  214    HE3  TRP  30          3HE       TRP  30   9.288   2.448  -3.414
  215    HZ2  TRP  30          2HZ       TRP  30   4.608   3.162  -4.978
  216    HZ3  TRP  30          3HZ       TRP  30   8.659   4.467  -4.672
  217    HH2  TRP  30          2HH       TRP  30   6.366   4.814  -5.437
  218    H    SER  31           HN       SER  31   8.795   2.132   0.565
  219    HA   SER  31           HA       SER  31   6.333   3.357   0.023
  220    HB2  SER  31          2HB       SER  31   5.182   3.159   2.158
  221    HB3  SER  31          3HB       SER  31   5.452   1.551   1.486
  222    HG   SER  31           HG       SER  31   7.356   2.637   3.235
  223    H    ASP  32           HN       ASP  32   5.933   4.909   2.254
  224    HA   ASP  32           HA       ASP  32   8.473   5.981   3.140
  225    HB2  ASP  32          2HB       ASP  32   7.034   8.238   2.159
  226    HB3  ASP  32          3HB       ASP  32   8.630   7.666   1.682
  227    H    ARG  33           HN       ARG  33   7.770   5.565   5.224
  228    HA   ARG  33           HA       ARG  33   5.427   5.887   6.469
  229    HB2  ARG  33          2HB       ARG  33   8.222   6.322   7.314
  230    HB3  ARG  33          3HB       ARG  33   7.002   7.051   8.351
  231    HG2  ARG  33          2HG       ARG  33   6.408   5.085   9.209
  232    HG3  ARG  33          3HG       ARG  33   6.366   4.310   7.624
  233    HD2  ARG  33          2HD       ARG  33   8.040   3.260   9.036
  234    HD3  ARG  33          3HD       ARG  33   8.808   4.087   7.680
  235    HE   ARG  33           HE       ARG  33   8.720   5.830   9.876
  236   HH11  ARG  33          1HH1      ARG  33  10.290   2.898   8.851
  237   HH12  ARG  33          2HH1      ARG  33  11.714   3.174   9.798
  238   HH21  ARG  33          1HH2      ARG  33  10.589   6.206  11.128
  239   HH22  ARG  33          2HH2      ARG  33  11.883   5.056  11.093
  240    H    HIS  34           HN       HIS  34   4.046   7.438   5.689
  241    HA   HIS  34           HA       HIS  34   3.889   9.893   6.899
  242    HB2  HIS  34          2HB       HIS  34   5.721   9.902   4.607
  243    HB3  HIS  34          3HB       HIS  34   4.465  11.133   4.514
  244    HD2  HIS  34          2HD       HIS  34   5.604  10.496   8.110
  245    HE1  HIS  34          1HE       HIS  34   7.687  13.925   6.732
  246    HE2  HIS  34          2HE       HIS  34   7.178  12.459   8.715
  247    H    ARG  35           HN       ARG  35   2.279   7.727   5.886
  248    HA   ARG  35           HA       ARG  35   0.413   7.277   4.613
  249    HB2  ARG  35          2HB       ARG  35  -0.412  10.084   5.288
  250    HB3  ARG  35          3HB       ARG  35  -1.393   8.625   5.242
  251    HG2  ARG  35          2HG       ARG  35  -0.588   7.874   7.298
  252    HG3  ARG  35          3HG       ARG  35   0.806   8.956   7.249
  253    HD2  ARG  35          2HD       ARG  35  -1.695  10.410   7.114
  254    HD3  ARG  35          3HD       ARG  35  -1.604   9.399   8.556
  255    HE   ARG  35           HE       ARG  35  -0.051  11.751   7.982
  256   HH11  ARG  35          1HH1      ARG  35  -0.198   8.781   9.792
  257   HH12  ARG  35          2HH1      ARG  35   0.884   9.329  11.031
  258   HH21  ARG  35          1HH2      ARG  35   1.374  12.485   9.606
  259   HH22  ARG  35          2HH2      ARG  35   1.777  11.436  10.924
  260    H    ASN  36           HN       ASN  36   2.334   7.884   2.841
  261    HA   ASN  36           HA       ASN  36   1.532  10.048   1.111
  262    HB2  ASN  36          2HB       ASN  36   3.819   8.283   1.375
  263    HB3  ASN  36          3HB       ASN  36   3.302   8.413  -0.303
  264   HD21  ASN  36          1HD2      ASN  36   4.624  10.072   2.427
  265   HD22  ASN  36          2HD2      ASN  36   5.070  11.520   1.596
  266    H    CYS  37           HN       CYS  37   0.880   9.778  -1.101
  267    HA   CYS  37           HA       CYS  37  -0.670   7.309  -1.520
  268    HB2  CYS  37          2HB       CYS  37  -1.470  10.010  -1.597
  269    HB3  CYS  37          3HB       CYS  37  -1.455   9.461  -3.269
  270    HA   PRO  38           HA       PRO  38   2.663   7.214  -4.711
  271    HB2  PRO  38          2HB       PRO  38   3.009   4.526  -4.579
  272    HB3  PRO  38          3HB       PRO  38   3.825   5.653  -3.490
  273    HG2  PRO  38          2HG       PRO  38   1.372   4.004  -3.018
  274    HG3  PRO  38          3HG       PRO  38   2.746   4.299  -1.937
  275    HD2  PRO  38          2HD       PRO  38   0.394   5.616  -1.695
  276    HD3  PRO  38          3HD       PRO  38   1.952   6.362  -1.284
  277    H    ILE  39           HN       ILE  39  -0.397   5.660  -4.287
  278    HA   ILE  39           HA       ILE  39  -0.448   4.626  -7.008
  279    HB   ILE  39           HB       ILE  39  -2.633   4.580  -4.924
  280   HG12  ILE  39          2HG1      ILE  39  -0.424   3.362  -4.401
  281   HG13  ILE  39          3HG1      ILE  39  -1.918   2.438  -4.275
  282   HG21  ILE  39          1HG2      ILE  39  -3.801   4.133  -6.818
  283   HG22  ILE  39          2HG2      ILE  39  -2.383   3.549  -7.687
  284   HG23  ILE  39          3HG2      ILE  39  -3.185   2.511  -6.509
  285   HD11  ILE  39          1HD1      ILE  39  -1.301   1.025  -5.882
  286   HD12  ILE  39          2HD1      ILE  39  -0.697   2.319  -6.918
  287   HD13  ILE  39          3HD1      ILE  39   0.320   1.670  -5.630
  288    H    CYS  40           HN       CYS  40  -0.414   7.565  -6.261
  289    HA   CYS  40           HA       CYS  40  -2.883   8.356  -7.663
  290    HB2  CYS  40          2HB       CYS  40  -1.523   9.437  -5.318
  291    HB3  CYS  40          3HB       CYS  40  -1.843  10.665  -6.538
  292    H    ARG  41           HN       ARG  41   0.586   8.535  -7.597
  293    HA   ARG  41           HA       ARG  41   0.528  10.140 -10.068
  294    HB2  ARG  41          2HB       ARG  41   3.095  10.382  -9.239
  295    HB3  ARG  41          3HB       ARG  41   1.822  11.527  -8.841
  296    HG2  ARG  41          2HG       ARG  41   2.459   9.178  -7.087
  297    HG3  ARG  41          3HG       ARG  41   3.298  10.724  -6.941
  298    HD2  ARG  41          2HD       ARG  41   0.730  11.557  -6.958
  299    HD3  ARG  41          3HD       ARG  41   0.547   9.976  -6.198
  300    HE   ARG  41           HE       ARG  41   1.473  10.855  -4.315
  301   HH11  ARG  41          1HH1      ARG  41   2.456  12.797  -7.032
  302   HH12  ARG  41          2HH1      ARG  41   3.286  13.968  -6.062
  303   HH21  ARG  41          1HH2      ARG  41   2.563  12.389  -3.026
  304   HH22  ARG  41          2HH2      ARG  41   3.348  13.735  -3.783
  305    H    LEU  42           HN       LEU  42   0.267   7.229  -9.783
  306    HA   LEU  42           HA       LEU  42   2.661   5.899 -10.395
  307    HB2  LEU  42          2HB       LEU  42  -0.200   5.309 -10.473
  308    HB3  LEU  42          3HB       LEU  42   0.733   4.440 -11.689
  309    HG   LEU  42           HG       LEU  42   1.204   4.363  -8.708
  310   HD11  LEU  42          1HD1      LEU  42  -0.850   3.206  -9.530
  311   HD12  LEU  42          2HD1      LEU  42   0.336   2.144  -8.774
  312   HD13  LEU  42          3HD1      LEU  42   0.190   2.191 -10.531
  313   HD21  LEU  42          1HD2      LEU  42   2.634   2.336  -9.557
  314   HD22  LEU  42          2HD2      LEU  42   3.305   3.968  -9.547
  315   HD23  LEU  42          3HD2      LEU  42   2.694   3.274 -11.050
  Start of MODEL    9
    1    H1   GLU   1           HN       GLU   1 -14.433   1.136   0.809
    2    HA   GLU   1           HA       GLU   1 -13.664  -1.269  -0.341
    3    HB2  GLU   1          2HB       GLU   1 -12.978   1.510  -0.620
    4    HB3  GLU   1          3HB       GLU   1 -11.522   0.530  -0.716
    5    HG2  GLU   1          2HG       GLU   1 -13.979   0.324  -2.433
    6    HG3  GLU   1          3HG       GLU   1 -12.361   0.827  -2.920
    7    H    GLU   2           HN       GLU   2 -12.150  -2.767   0.077
    8    HA   GLU   2           HA       GLU   2 -10.163  -2.195   2.170
    9    HB2  GLU   2          2HB       GLU   2 -12.334  -3.852   2.541
   10    HB3  GLU   2          3HB       GLU   2 -11.062  -4.978   2.087
   11    HG2  GLU   2          2HG       GLU   2  -9.784  -4.494   3.943
   12    HG3  GLU   2          3HG       GLU   2 -10.543  -2.922   4.185
   13    H    GLU   3           HN       GLU   3  -9.048  -4.823   2.106
   14    HA   GLU   3           HA       GLU   3  -7.408  -5.985   1.040
   15    HB2  GLU   3          2HB       GLU   3  -8.562  -5.347  -1.636
   16    HB3  GLU   3          3HB       GLU   3  -7.929  -6.868  -1.023
   17    HG2  GLU   3          2HG       GLU   3  -9.901  -7.359   0.131
   18    HG3  GLU   3          3HG       GLU   3 -10.480  -5.697   0.024
   19    H    CYS   4           HN       CYS   4  -5.474  -5.758  -0.200
   20    HA   CYS   4           HA       CYS   4  -4.439  -3.124  -0.208
   21    HB2  CYS   4          2HB       CYS   4  -3.055  -5.142   0.167
   22    HB3  CYS   4          3HB       CYS   4  -3.302  -5.606  -1.514
   23    H    CYS   5           HN       CYS   5  -4.025  -1.705  -1.851
   24    HA   CYS   5           HA       CYS   5  -5.501  -2.166  -4.324
   25    HB2  CYS   5          2HB       CYS   5  -4.243   0.314  -3.142
   26    HB3  CYS   5          3HB       CYS   5  -5.020   0.277  -4.719
   27    HG   CYS   5           HG       CYS   5  -7.211  -1.001  -2.766
   28    H    ILE   6           HN       ILE   6  -2.832  -3.387  -3.648
   29    HA   ILE   6           HA       ILE   6  -1.497  -2.609  -6.142
   30    HB   ILE   6           HB       ILE   6  -0.186  -2.877  -3.444
   31   HG12  ILE   6          2HG1      ILE   6  -0.095  -0.706  -5.551
   32   HG13  ILE   6          3HG1      ILE   6  -1.050  -0.652  -4.073
   33   HG21  ILE   6          1HG2      ILE   6   1.968  -2.591  -4.736
   34   HG22  ILE   6          2HG2      ILE   6   1.194  -4.170  -4.861
   35   HG23  ILE   6          3HG2      ILE   6   1.049  -3.011  -6.182
   36   HD11  ILE   6          1HD1      ILE   6   1.643   0.139  -4.488
   37   HD12  ILE   6          2HD1      ILE   6   0.664   0.260  -3.025
   38   HD13  ILE   6          3HD1      ILE   6   1.618  -1.191  -3.331
   39    H    CYS   7           HN       CYS   7  -0.584  -4.845  -3.543
   40    HA   CYS   7           HA       CYS   7  -0.080  -6.950  -5.414
   41    HB2  CYS   7          2HB       CYS   7   0.671  -8.221  -3.549
   42    HB3  CYS   7          3HB       CYS   7   1.168  -6.561  -3.241
   43    H    MET   8           HN       MET   8  -2.729  -6.035  -3.348
   44    HA   MET   8           HA       MET   8  -4.740  -7.017  -2.873
   45    HB2  MET   8          2HB       MET   8  -4.948  -8.222  -5.553
   46    HB3  MET   8          3HB       MET   8  -6.023  -7.094  -4.738
   47    HG2  MET   8          2HG       MET   8  -4.719  -5.237  -5.378
   48    HG3  MET   8          3HG       MET   8  -3.383  -6.262  -5.894
   49    HE1  MET   8          1HE       MET   8  -6.580  -4.745  -6.320
   50    HE2  MET   8          2HE       MET   8  -6.506  -4.335  -8.033
   51    HE3  MET   8          3HE       MET   8  -7.456  -5.722  -7.498
   52    H    ASP   9           HN       ASP   9  -2.992  -8.600  -1.744
   53    HA   ASP   9           HA       ASP   9  -3.968 -11.297  -2.364
   54    HB2  ASP   9          2HB       ASP   9  -1.128 -10.386  -2.195
   55    HB3  ASP   9          3HB       ASP   9  -1.533 -11.992  -1.597
   56    H    GLY  10           HN       GLY  10  -4.929  -9.547  -0.384
   57    HA2  GLY  10          1HA       GLY  10  -4.886 -11.206   1.881
   58    HA3  GLY  10          2HA       GLY  10  -3.756  -9.887   2.146
   59    H    ARG  11           HN       ARG  11  -4.549  -8.140   3.098
   60    HA   ARG  11           HA       ARG  11  -7.296  -7.315   2.573
   61    HB2  ARG  11          2HB       ARG  11  -7.957  -7.236   4.856
   62    HB3  ARG  11          3HB       ARG  11  -7.295  -8.842   4.582
   63    HG2  ARG  11          2HG       ARG  11  -5.587  -6.645   5.682
   64    HG3  ARG  11          3HG       ARG  11  -6.651  -7.588   6.728
   65    HD2  ARG  11          2HD       ARG  11  -4.628  -8.829   4.875
   66    HD3  ARG  11          3HD       ARG  11  -4.273  -8.409   6.550
   67    HE   ARG  11           HE       ARG  11  -6.521  -9.948   6.696
   68   HH11  ARG  11          1HH1      ARG  11  -3.341 -10.358   5.339
   69   HH12  ARG  11          2HH1      ARG  11  -3.318 -12.074   5.579
   70   HH21  ARG  11          1HH2      ARG  11  -6.502 -12.206   7.017
   71   HH22  ARG  11          2HH2      ARG  11  -5.117 -13.124   6.532
   72    H    ALA  12           HN       ALA  12  -7.755  -5.137   3.386
   73    HA   ALA  12           HA       ALA  12  -5.498  -3.403   2.960
   74    HB1  ALA  12          1HB       ALA  12  -8.428  -2.950   3.407
   75    HB2  ALA  12          2HB       ALA  12  -7.282  -1.608   3.404
   76    HB3  ALA  12          3HB       ALA  12  -7.459  -2.621   1.971
   77    H    ASP  13           HN       ASP  13  -4.158  -3.831   4.753
   78    HA   ASP  13           HA       ASP  13  -4.942  -3.731   7.437
   79    HB2  ASP  13          2HB       ASP  13  -2.245  -2.949   6.314
   80    HB3  ASP  13          3HB       ASP  13  -2.589  -3.477   7.960
   81    H    LEU  14           HN       LEU  14  -4.133  -1.194   5.172
   82    HA   LEU  14           HA       LEU  14  -4.984   0.784   7.161
   83    HB2  LEU  14          2HB       LEU  14  -2.330   0.467   6.189
   84    HB3  LEU  14          3HB       LEU  14  -2.979   1.969   5.538
   85    HG   LEU  14           HG       LEU  14  -3.557   1.806   8.342
   86   HD11  LEU  14          1HD1      LEU  14  -1.461   1.607   9.330
   87   HD12  LEU  14          2HD1      LEU  14  -0.613   1.782   7.794
   88   HD13  LEU  14          3HD1      LEU  14  -1.488   0.293   8.153
   89   HD21  LEU  14          1HD2      LEU  14  -2.161   3.620   6.442
   90   HD22  LEU  14          2HD2      LEU  14  -1.910   3.855   8.172
   91   HD23  LEU  14          3HD2      LEU  14  -3.538   3.932   7.498
   92    H    ILE  15           HN       ILE  15  -5.441   2.934   6.119
   93    HA   ILE  15           HA       ILE  15  -6.183   2.739   3.298
   94    HB   ILE  15           HB       ILE  15  -8.155   3.644   5.396
   95   HG12  ILE  15          2HG1      ILE  15  -7.694   1.001   4.088
   96   HG13  ILE  15          3HG1      ILE  15  -8.209   1.363   5.731
   97   HG21  ILE  15          1HG2      ILE  15  -8.207   4.635   3.046
   98   HG22  ILE  15          2HG2      ILE  15  -8.700   3.030   2.508
   99   HG23  ILE  15          3HG2      ILE  15  -9.701   3.922   3.654
  100   HD11  ILE  15          1HD1      ILE  15  -9.924   1.643   3.275
  101   HD12  ILE  15          2HD1      ILE  15  -9.966   0.293   4.410
  102   HD13  ILE  15          3HD1      ILE  15 -10.428   1.909   4.944
  103    H    LEU  16           HN       LEU  16  -4.849   4.330   2.608
  104    HA   LEU  16           HA       LEU  16  -4.140   6.653   3.948
  105    HB2  LEU  16          2HB       LEU  16  -4.351   6.082   1.001
  106    HB3  LEU  16          3HB       LEU  16  -3.653   7.563   1.652
  107    HG   LEU  16           HG       LEU  16  -2.596   4.755   1.919
  108   HD11  LEU  16          1HD1      LEU  16  -1.113   7.142   0.903
  109   HD12  LEU  16          2HD1      LEU  16  -2.218   6.266  -0.155
  110   HD13  LEU  16          3HD1      LEU  16  -0.846   5.431   0.572
  111   HD21  LEU  16          1HD2      LEU  16  -0.694   6.018   3.123
  112   HD22  LEU  16          2HD2      LEU  16  -2.149   5.610   4.031
  113   HD23  LEU  16          3HD2      LEU  16  -1.917   7.251   3.428
  114    HA   PRO  17           HA       PRO  17  -7.599   9.350   3.795
  115    HB2  PRO  17          2HB       PRO  17  -6.380  11.761   3.523
  116    HB3  PRO  17          3HB       PRO  17  -6.349  10.832   5.027
  117    HG2  PRO  17          2HG       PRO  17  -4.262  11.049   2.892
  118    HG3  PRO  17          3HG       PRO  17  -4.066  11.076   4.654
  119    HD2  PRO  17          2HD       PRO  17  -3.578   8.866   3.168
  120    HD3  PRO  17          3HD       PRO  17  -4.197   8.782   4.829
  121    H    CYS  18           HN       CYS  18  -5.810   8.650   1.119
  122    HA   CYS  18           HA       CYS  18  -7.268  10.535  -0.606
  123    HB2  CYS  18          2HB       CYS  18  -5.604   9.935  -2.342
  124    HB3  CYS  18          3HB       CYS  18  -4.859  10.626  -0.905
  125    H    ALA  19           HN       ALA  19  -7.776   7.635   0.631
  126    HA   ALA  19           HA       ALA  19  -9.261   5.985   0.071
  127    HB1  ALA  19          1HB       ALA  19  -9.527   6.902  -2.744
  128    HB2  ALA  19          2HB       ALA  19 -10.751   6.286  -1.632
  129    HB3  ALA  19          3HB       ALA  19 -10.159   7.938  -1.464
  130    H    HIS  20           HN       HIS  20  -6.665   5.362   0.066
  131    HA   HIS  20           HA       HIS  20  -6.496   3.380  -2.067
  132    HB2  HIS  20          2HB       HIS  20  -4.436   5.510  -1.543
  133    HB3  HIS  20          3HB       HIS  20  -3.995   3.972  -2.278
  134    HD2  HIS  20          2HD       HIS  20  -6.125   3.563  -4.561
  135    HE1  HIS  20          1HE       HIS  20  -5.410   7.599  -5.659
  136    HE2  HIS  20          2HE       HIS  20  -6.429   5.404  -6.354
  137    H    SER  21           HN       SER  21  -6.630   1.631  -0.778
  138    HA   SER  21           HA       SER  21  -5.362   1.478   1.782
  139    HB2  SER  21          2HB       SER  21  -5.984  -1.129   1.024
  140    HB3  SER  21          3HB       SER  21  -7.007  -0.042   1.963
  141    HG   SER  21           HG       SER  21  -8.198   0.366   0.232
  142    H    PHE  22           HN       PHE  22  -3.786  -0.184   2.376
  143    HA   PHE  22           HA       PHE  22  -2.153  -1.377   0.344
  144    HB2  PHE  22          2HB       PHE  22  -1.002   0.902   1.967
  145    HB3  PHE  22          3HB       PHE  22  -0.078  -0.167   0.917
  146    HD1  PHE  22          1HD       PHE  22  -0.749  -0.227  -1.564
  147    HD2  PHE  22          2HD       PHE  22  -1.919   2.855   1.129
  148    HE1  PHE  22          1HE       PHE  22  -1.183   1.268  -3.469
  149    HE2  PHE  22          2HE       PHE  22  -2.357   4.354  -0.773
  150    HZ   PHE  22           HZ       PHE  22  -1.989   3.561  -3.075
  151    H    CYS  23           HN       CYS  23  -1.811  -3.306   1.211
  152    HA   CYS  23           HA       CYS  23  -2.011  -3.928   3.930
  153    HB2  CYS  23          2HB       CYS  23  -1.276  -6.115   3.352
  154    HB3  CYS  23          3HB       CYS  23  -2.189  -5.523   1.968
  155    H    GLN  24           HN       GLN  24  -0.489  -4.355   5.522
  156    HA   GLN  24           HA       GLN  24   1.588  -2.674   5.921
  157    HB2  GLN  24          2HB       GLN  24   0.567  -4.629   7.392
  158    HB3  GLN  24          3HB       GLN  24   1.998  -5.484   6.832
  159    HG2  GLN  24          2HG       GLN  24   2.210  -2.768   8.068
  160    HG3  GLN  24          3HG       GLN  24   2.104  -4.219   9.063
  161   HE21  GLN  24          1HE2      GLN  24   4.209  -2.096   7.864
  162   HE22  GLN  24          2HE2      GLN  24   5.613  -3.091   7.706
  163    H    LYS  25           HN       LYS  25   2.048  -6.009   4.735
  164    HA   LYS  25           HA       LYS  25   4.663  -6.151   4.235
  165    HB2  LYS  25          2HB       LYS  25   2.314  -7.292   3.014
  166    HB3  LYS  25          3HB       LYS  25   3.555  -7.023   1.796
  167    HG2  LYS  25          2HG       LYS  25   5.048  -8.475   2.811
  168    HG3  LYS  25          3HG       LYS  25   4.231  -8.381   4.372
  169    HD2  LYS  25          2HD       LYS  25   2.661  -9.456   2.103
  170    HD3  LYS  25          3HD       LYS  25   3.973 -10.467   2.713
  171    HE2  LYS  25          2HE       LYS  25   2.488  -9.373   4.908
  172    HE3  LYS  25          3HE       LYS  25   1.385 -10.156   3.777
  173    HZ1  LYS  25          1HZ       LYS  25   3.763 -11.683   4.305
  174    HZ2  LYS  25          2HZ       LYS  25   2.141 -12.165   4.331
  175    HZ3  LYS  25          3HZ       LYS  25   2.824 -11.419   5.687
  176    H    CYS  26           HN       CYS  26   2.397  -4.601   1.960
  177    HA   CYS  26           HA       CYS  26   4.457  -3.618   0.260
  178    HB2  CYS  26          2HB       CYS  26   1.527  -2.947   0.531
  179    HB3  CYS  26          3HB       CYS  26   2.571  -2.173  -0.657
  180    H    ILE  27           HN       ILE  27   2.489  -2.159   2.821
  181    HA   ILE  27           HA       ILE  27   3.278   0.476   2.613
  182    HB   ILE  27           HB       ILE  27   2.056  -1.163   4.639
  183   HG12  ILE  27          2HG1      ILE  27   2.068   1.844   4.328
  184   HG13  ILE  27          3HG1      ILE  27   1.080   0.766   3.350
  185   HG21  ILE  27          1HG2      ILE  27   4.057  -0.823   5.939
  186   HG22  ILE  27          2HG2      ILE  27   4.012   0.910   5.619
  187   HG23  ILE  27          3HG2      ILE  27   2.757   0.164   6.607
  188   HD11  ILE  27          1HD1      ILE  27   0.321   1.943   5.692
  189   HD12  ILE  27          2HD1      ILE  27  -0.439   0.530   4.959
  190   HD13  ILE  27          3HD1      ILE  27   0.784   0.322   6.211
  191    H    ASP  28           HN       ASP  28   5.012  -2.244   3.991
  192    HA   ASP  28           HA       ASP  28   7.083  -0.649   5.170
  193    HB2  ASP  28          2HB       ASP  28   6.337  -3.039   5.821
  194    HB3  ASP  28          3HB       ASP  28   7.359  -3.564   4.485
  195    H    LYS  29           HN       LYS  29   6.699  -2.487   2.178
  196    HA   LYS  29           HA       LYS  29   9.343  -2.226   1.248
  197    HB2  LYS  29          2HB       LYS  29   7.207  -3.607   0.392
  198    HB3  LYS  29          3HB       LYS  29   7.133  -2.260  -0.736
  199    HG2  LYS  29          2HG       LYS  29   9.692  -2.817  -1.034
  200    HG3  LYS  29          3HG       LYS  29   9.168  -4.404  -0.468
  201    HD2  LYS  29          2HD       LYS  29   7.259  -3.670  -2.351
  202    HD3  LYS  29          3HD       LYS  29   8.793  -3.144  -3.047
  203    HE2  LYS  29          2HE       LYS  29   8.763  -5.296  -3.798
  204    HE3  LYS  29          3HE       LYS  29   9.560  -5.547  -2.245
  205    HZ1  LYS  29          1HZ       LYS  29   7.665  -7.093  -2.810
  206    HZ2  LYS  29          2HZ       LYS  29   6.627  -5.779  -2.567
  207    HZ3  LYS  29          3HZ       LYS  29   7.588  -6.344  -1.294
  208    H    TRP  30           HN       TRP  30   6.431  -0.397   0.289
  209    HA   TRP  30           HA       TRP  30   8.058   1.619  -1.000
  210    HB2  TRP  30          2HB       TRP  30   5.067   1.559  -0.547
  211    HB3  TRP  30          3HB       TRP  30   5.936   2.648  -1.625
  212    HD1  TRP  30          1HD       TRP  30   4.421  -0.792  -1.470
  213    HE1  TRP  30          1HE       TRP  30   4.709  -1.964  -3.743
  214    HE3  TRP  30          3HE       TRP  30   7.658   2.494  -3.673
  215    HZ2  TRP  30          2HZ       TRP  30   6.122  -1.551  -6.151
  216    HZ3  TRP  30          3HZ       TRP  30   8.432   2.032  -5.963
  217    HH2  TRP  30          2HH       TRP  30   7.678   0.050  -7.175
  218    H    SER  31           HN       SER  31   9.181   2.828   0.434
  219    HA   SER  31           HA       SER  31   7.747   4.737   2.010
  220    HB2  SER  31          2HB       SER  31   8.742   2.311   3.286
  221    HB3  SER  31          3HB       SER  31   9.420   3.771   4.007
  222    HG   SER  31           HG       SER  31   7.567   4.089   4.919
  223    H    ASP  32           HN       ASP  32  10.957   3.177   1.981
  224    HA   ASP  32           HA       ASP  32  12.296   5.710   2.225
  225    HB2  ASP  32          2HB       ASP  32  13.311   3.797   3.276
  226    HB3  ASP  32          3HB       ASP  32  13.323   2.906   1.756
  227    H    ARG  33           HN       ARG  33  11.271   6.638   0.279
  228    HA   ARG  33           HA       ARG  33  12.972   7.039  -1.800
  229    HB2  ARG  33          2HB       ARG  33  11.727   4.445  -2.025
  230    HB3  ARG  33          3HB       ARG  33  11.271   5.462  -3.385
  231    HG2  ARG  33          2HG       ARG  33  13.420   5.607  -4.176
  232    HG3  ARG  33          3HG       ARG  33  14.138   5.305  -2.593
  233    HD2  ARG  33          2HD       ARG  33  12.890   2.972  -2.937
  234    HD3  ARG  33          3HD       ARG  33  13.136   3.399  -4.630
  235    HE   ARG  33           HE       ARG  33  15.142   2.602  -2.733
  236   HH11  ARG  33          1HH1      ARG  33  14.524   4.347  -5.682
  237   HH12  ARG  33          2HH1      ARG  33  16.147   4.188  -6.268
  238   HH21  ARG  33          1HH2      ARG  33  17.281   2.387  -3.495
  239   HH22  ARG  33          2HH2      ARG  33  17.714   3.072  -5.025
  240    H    HIS  34           HN       HIS  34   9.734   6.804  -0.644
  241    HA   HIS  34           HA       HIS  34   8.941   9.324  -1.426
  242    HB2  HIS  34          2HB       HIS  34   8.651   7.306  -3.561
  243    HB3  HIS  34          3HB       HIS  34   7.218   8.283  -3.257
  244    HD2  HIS  34          2HD       HIS  34   9.415  10.949  -2.590
  245    HE1  HIS  34          1HE       HIS  34   9.789  10.644  -6.804
  246    HE2  HIS  34          2HE       HIS  34  10.259  12.054  -4.772
  247    H    ARG  35           HN       ARG  35   8.268   8.783   0.789
  248    HA   ARG  35           HA       ARG  35   6.440   6.922   1.591
  249    HB2  ARG  35          2HB       ARG  35   7.374   9.467   2.563
  250    HB3  ARG  35          3HB       ARG  35   5.653   9.302   2.879
  251    HG2  ARG  35          2HG       ARG  35   6.359   6.937   3.765
  252    HG3  ARG  35          3HG       ARG  35   7.936   7.713   3.930
  253    HD2  ARG  35          2HD       ARG  35   6.017   9.511   4.954
  254    HD3  ARG  35          3HD       ARG  35   5.637   7.921   5.615
  255    HE   ARG  35           HE       ARG  35   7.749   9.575   6.419
  256   HH11  ARG  35          1HH1      ARG  35   7.129   6.243   5.621
  257   HH12  ARG  35          2HH1      ARG  35   8.376   5.628   6.656
  258   HH21  ARG  35          1HH2      ARG  35   9.393   8.777   7.785
  259   HH22  ARG  35          2HH2      ARG  35   9.663   7.069   7.886
  260    H    ASN  36           HN       ASN  36   5.917   9.547  -0.555
  261    HA   ASN  36           HA       ASN  36   3.179  10.008  -0.225
  262    HB2  ASN  36          2HB       ASN  36   3.220  10.980  -2.431
  263    HB3  ASN  36          3HB       ASN  36   4.732  11.385  -1.623
  264   HD21  ASN  36          1HD2      ASN  36   6.461  11.186  -2.829
  265   HD22  ASN  36          2HD2      ASN  36   6.662  10.100  -4.158
  266    H    CYS  37           HN       CYS  37   1.349   9.160  -1.214
  267    HA   CYS  37           HA       CYS  37   1.161   6.422  -1.496
  268    HB2  CYS  37          2HB       CYS  37  -0.889   7.456  -1.198
  269    HB3  CYS  37          3HB       CYS  37  -0.549   8.707  -2.389
  270    HA   PRO  38           HA       PRO  38   2.891   5.458  -5.425
  271    HB2  PRO  38          2HB       PRO  38   1.585   3.130  -5.916
  272    HB3  PRO  38          3HB       PRO  38   2.883   3.271  -4.725
  273    HG2  PRO  38          2HG       PRO  38  -0.081   3.280  -4.305
  274    HG3  PRO  38          3HG       PRO  38   1.179   2.451  -3.371
  275    HD2  PRO  38          2HD       PRO  38   0.048   4.772  -2.554
  276    HD3  PRO  38          3HD       PRO  38   1.737   4.354  -2.197
  277    H    ILE  39           HN       ILE  39  -0.622   4.843  -5.239
  278    HA   ILE  39           HA       ILE  39  -1.177   5.033  -7.955
  279    HB   ILE  39           HB       ILE  39  -2.993   5.867  -5.690
  280   HG12  ILE  39          2HG1      ILE  39  -2.292   3.632  -5.251
  281   HG13  ILE  39          3HG1      ILE  39  -3.885   3.511  -5.990
  282   HG21  ILE  39          1HG2      ILE  39  -3.335   6.006  -8.483
  283   HG22  ILE  39          2HG2      ILE  39  -4.328   4.668  -7.912
  284   HG23  ILE  39          3HG2      ILE  39  -4.540   6.278  -7.226
  285   HD11  ILE  39          1HD1      ILE  39  -2.928   1.978  -7.294
  286   HD12  ILE  39          2HD1      ILE  39  -2.248   3.357  -8.160
  287   HD13  ILE  39          3HD1      ILE  39  -1.298   2.537  -6.921
  288    H    CYS  40           HN       CYS  40  -2.144   7.566  -5.652
  289    HA   CYS  40           HA       CYS  40  -2.691   9.616  -7.274
  290    HB2  CYS  40          2HB       CYS  40  -1.021   9.792  -4.757
  291    HB3  CYS  40          3HB       CYS  40  -1.796  11.166  -5.537
  292    H    ARG  41           HN       ARG  41   0.587   8.594  -6.418
  293    HA   ARG  41           HA       ARG  41   2.127  10.571  -7.479
  294    HB2  ARG  41          2HB       ARG  41   2.537   7.923  -6.683
  295    HB3  ARG  41          3HB       ARG  41   3.155   7.998  -8.327
  296    HG2  ARG  41          2HG       ARG  41   4.496  10.000  -7.628
  297    HG3  ARG  41          3HG       ARG  41   4.004   9.656  -5.968
  298    HD2  ARG  41          2HD       ARG  41   6.122   8.646  -6.247
  299    HD3  ARG  41          3HD       ARG  41   4.944   7.336  -6.304
  300    HE   ARG  41           HE       ARG  41   5.297   8.031  -8.914
  301   HH11  ARG  41          1HH1      ARG  41   7.420   7.075  -6.325
  302   HH12  ARG  41          2HH1      ARG  41   8.580   6.331  -7.376
  303   HH21  ARG  41          1HH2      ARG  41   6.817   7.055 -10.307
  304   HH22  ARG  41          2HH2      ARG  41   8.237   6.322  -9.640
  305    H    LEU  42           HN       LEU  42   0.758   7.831  -9.293
  306    HA   LEU  42           HA       LEU  42   0.885   9.474 -11.719
  307    HB2  LEU  42          2HB       LEU  42   2.163   8.050 -12.881
  308    HB3  LEU  42          3HB       LEU  42   2.691   7.505 -11.290
  309    HG   LEU  42           HG       LEU  42   0.584   5.879 -11.640
  310   HD11  LEU  42          1HD1      LEU  42  -0.176   5.863 -13.721
  311   HD12  LEU  42          2HD1      LEU  42   1.406   5.309 -14.263
  312   HD13  LEU  42          3HD1      LEU  42   1.044   7.033 -14.219
  313   HD21  LEU  42          1HD2      LEU  42   2.537   4.837 -11.064
  314   HD22  LEU  42          2HD2      LEU  42   3.473   5.650 -12.317
  315   HD23  LEU  42          3HD2      LEU  42   2.396   4.319 -12.743
  Start of MODEL   10
    1    H1   GLU   1           HN       GLU   1 -13.566  -3.388   6.357
    2    HA   GLU   1           HA       GLU   1 -11.836  -4.869   5.677
    3    HB2  GLU   1          2HB       GLU   1 -14.428  -5.762   5.807
    4    HB3  GLU   1          3HB       GLU   1 -13.918  -6.346   4.230
    5    HG2  GLU   1          2HG       GLU   1 -11.990  -6.815   6.385
    6    HG3  GLU   1          3HG       GLU   1 -13.530  -7.654   6.571
    7    H    GLU   2           HN       GLU   2 -11.438  -2.879   3.928
    8    HA   GLU   2           HA       GLU   2 -11.816  -3.674   1.205
    9    HB2  GLU   2          2HB       GLU   2 -10.059  -1.545   2.436
   10    HB3  GLU   2          3HB       GLU   2 -10.294  -1.761   0.706
   11    HG2  GLU   2          2HG       GLU   2 -12.168  -0.716   2.760
   12    HG3  GLU   2          3HG       GLU   2 -11.797  -0.100   1.151
   13    H    GLU   3           HN       GLU   3 -10.005  -3.985  -0.316
   14    HA   GLU   3           HA       GLU   3  -7.872  -5.593   0.927
   15    HB2  GLU   3          2HB       GLU   3  -8.845  -5.835  -1.918
   16    HB3  GLU   3          3HB       GLU   3  -7.818  -6.953  -1.032
   17    HG2  GLU   3          2HG       GLU   3  -9.558  -7.890   0.090
   18    HG3  GLU   3          3HG       GLU   3 -10.522  -6.414   0.054
   19    H    CYS   4           HN       CYS   4  -5.756  -5.369   0.217
   20    HA   CYS   4           HA       CYS   4  -4.779  -2.881  -0.335
   21    HB2  CYS   4          2HB       CYS   4  -3.424  -4.860   0.352
   22    HB3  CYS   4          3HB       CYS   4  -3.527  -5.460  -1.300
   23    H    CYS   5           HN       CYS   5  -4.595  -1.582  -2.055
   24    HA   CYS   5           HA       CYS   5  -5.710  -2.506  -4.587
   25    HB2  CYS   5          2HB       CYS   5  -5.913  -0.116  -3.177
   26    HB3  CYS   5          3HB       CYS   5  -4.847   0.273  -4.521
   27    HG   CYS   5           HG       CYS   5  -6.943  -1.167  -6.205
   28    H    ILE   6           HN       ILE   6  -3.235  -3.612  -4.009
   29    HA   ILE   6           HA       ILE   6  -1.661  -2.546  -6.221
   30    HB   ILE   6           HB       ILE   6  -0.613  -2.857  -3.416
   31   HG12  ILE   6          2HG1      ILE   6  -0.410  -0.610  -5.434
   32   HG13  ILE   6          3HG1      ILE   6  -1.530  -0.659  -4.076
   33   HG21  ILE   6          1HG2      ILE   6   1.270  -3.699  -4.251
   34   HG22  ILE   6          2HG2      ILE   6   0.729  -3.439  -5.910
   35   HG23  ILE   6          3HG2      ILE   6   1.529  -2.136  -5.028
   36   HD11  ILE   6          1HD1      ILE   6   0.044  -0.061  -2.595
   37   HD12  ILE   6          2HD1      ILE   6   1.303  -1.009  -3.388
   38   HD13  ILE   6          3HD1      ILE   6   0.857   0.574  -4.026
   39    H    CYS   7           HN       CYS   7  -1.203  -4.933  -3.608
   40    HA   CYS   7           HA       CYS   7  -0.308  -6.894  -5.554
   41    HB2  CYS   7          2HB       CYS   7   0.147  -8.298  -3.550
   42    HB3  CYS   7          3HB       CYS   7   0.950  -6.732  -3.493
   43    H    MET   8           HN       MET   8  -3.107  -6.194  -3.607
   44    HA   MET   8           HA       MET   8  -5.220  -7.047  -3.648
   45    HB2  MET   8          2HB       MET   8  -4.613  -9.092  -5.712
   46    HB3  MET   8          3HB       MET   8  -5.992  -8.010  -5.571
   47    HG2  MET   8          2HG       MET   8  -4.123  -6.200  -6.113
   48    HG3  MET   8          3HG       MET   8  -3.375  -7.596  -6.886
   49    HE1  MET   8          1HE       MET   8  -4.747  -9.167  -8.571
   50    HE2  MET   8          2HE       MET   8  -6.259  -9.141  -7.663
   51    HE3  MET   8          3HE       MET   8  -6.246  -8.685  -9.369
   52    H    ASP   9           HN       ASP   9  -2.632  -8.487  -2.532
   53    HA   ASP   9           HA       ASP   9  -4.140 -10.781  -1.492
   54    HB2  ASP   9          2HB       ASP   9  -1.258 -10.891  -2.411
   55    HB3  ASP   9          3HB       ASP   9  -2.151 -12.208  -1.657
   56    H    GLY  10           HN       GLY  10  -4.044  -8.525  -0.071
   57    HA2  GLY  10          1HA       GLY  10  -2.607  -9.324   2.280
   58    HA3  GLY  10          2HA       GLY  10  -1.921  -7.889   1.533
   59    H    ARG  11           HN       ARG  11  -5.332  -8.495   1.317
   60    HA   ARG  11           HA       ARG  11  -7.075  -7.132   1.926
   61    HB2  ARG  11          2HB       ARG  11  -5.836  -7.332   4.667
   62    HB3  ARG  11          3HB       ARG  11  -7.541  -7.211   4.256
   63    HG2  ARG  11          2HG       ARG  11  -6.014  -9.550   3.246
   64    HG3  ARG  11          3HG       ARG  11  -6.449  -9.498   4.955
   65    HD2  ARG  11          2HD       ARG  11  -8.399 -10.382   4.308
   66    HD3  ARG  11          3HD       ARG  11  -8.783  -8.761   3.730
   67    HE   ARG  11           HE       ARG  11  -7.516  -9.816   1.618
   68   HH11  ARG  11          1HH1      ARG  11 -10.080 -11.034   3.633
   69   HH12  ARG  11          2HH1      ARG  11 -10.803 -11.974   2.370
   70   HH21  ARG  11          1HH2      ARG  11  -8.458 -11.049  -0.054
   71   HH22  ARG  11          2HH2      ARG  11  -9.879 -11.982   0.273
   72    H    ALA  12           HN       ALA  12  -7.149  -5.353   4.217
   73    HA   ALA  12           HA       ALA  12  -5.347  -3.206   3.312
   74    HB1  ALA  12          1HB       ALA  12  -7.513  -2.751   2.366
   75    HB2  ALA  12          2HB       ALA  12  -8.285  -2.959   3.938
   76    HB3  ALA  12          3HB       ALA  12  -7.197  -1.599   3.663
   77    H    ASP  13           HN       ASP  13  -3.988  -2.891   4.956
   78    HA   ASP  13           HA       ASP  13  -5.020  -3.005   7.703
   79    HB2  ASP  13          2HB       ASP  13  -2.936  -4.335   6.847
   80    HB3  ASP  13          3HB       ASP  13  -2.106  -2.792   7.026
   81    H    LEU  14           HN       LEU  14  -4.273  -0.803   5.309
   82    HA   LEU  14           HA       LEU  14  -4.352   1.391   7.208
   83    HB2  LEU  14          2HB       LEU  14  -1.918   0.532   5.997
   84    HB3  LEU  14          3HB       LEU  14  -2.353   2.107   5.336
   85    HG   LEU  14           HG       LEU  14  -0.902   2.494   7.171
   86   HD11  LEU  14          1HD1      LEU  14  -3.422   3.559   7.029
   87   HD12  LEU  14          2HD1      LEU  14  -2.117   4.141   8.062
   88   HD13  LEU  14          3HD1      LEU  14  -3.323   3.029   8.708
   89   HD21  LEU  14          1HD2      LEU  14  -2.684   1.055   9.088
   90   HD22  LEU  14          2HD2      LEU  14  -0.971   1.453   9.226
   91   HD23  LEU  14          3HD2      LEU  14  -1.491   0.152   8.154
   92    H    ILE  15           HN       ILE  15  -6.084   2.428   6.451
   93    HA   ILE  15           HA       ILE  15  -6.547   2.622   3.581
   94    HB   ILE  15           HB       ILE  15  -8.273   3.745   5.785
   95   HG12  ILE  15          2HG1      ILE  15  -8.651   1.077   4.425
   96   HG13  ILE  15          3HG1      ILE  15  -7.804   1.244   5.960
   97   HG21  ILE  15          1HG2      ILE  15 -10.045   3.478   4.042
   98   HG22  ILE  15          2HG2      ILE  15  -8.808   4.670   3.651
   99   HG23  ILE  15          3HG2      ILE  15  -8.771   3.079   2.890
  100   HD11  ILE  15          1HD1      ILE  15 -10.425   0.733   5.745
  101   HD12  ILE  15          2HD1      ILE  15  -9.702   1.574   7.117
  102   HD13  ILE  15          3HD1      ILE  15 -10.464   2.495   5.821
  103    H    LEU  16           HN       LEU  16  -5.119   4.101   2.774
  104    HA   LEU  16           HA       LEU  16  -4.298   6.479   3.961
  105    HB2  LEU  16          2HB       LEU  16  -4.495   5.581   1.110
  106    HB3  LEU  16          3HB       LEU  16  -3.947   7.207   1.509
  107    HG   LEU  16           HG       LEU  16  -2.611   4.582   2.091
  108   HD11  LEU  16          1HD1      LEU  16  -2.341   6.165  -0.025
  109   HD12  LEU  16          2HD1      LEU  16  -0.985   5.280   0.671
  110   HD13  LEU  16          3HD1      LEU  16  -1.219   6.985   1.061
  111   HD21  LEU  16          1HD2      LEU  16  -2.237   5.515   4.143
  112   HD22  LEU  16          2HD2      LEU  16  -2.376   7.167   3.542
  113   HD23  LEU  16          3HD2      LEU  16  -0.909   6.238   3.235
  114    HA   PRO  17           HA       PRO  17  -7.636   9.308   3.641
  115    HB2  PRO  17          2HB       PRO  17  -6.344  11.629   3.081
  116    HB3  PRO  17          3HB       PRO  17  -6.283  10.854   4.669
  117    HG2  PRO  17          2HG       PRO  17  -4.282  10.774   2.444
  118    HG3  PRO  17          3HG       PRO  17  -4.011  10.968   4.186
  119    HD2  PRO  17          2HD       PRO  17  -3.665   8.604   2.913
  120    HD3  PRO  17          3HD       PRO  17  -4.216   8.710   4.596
  121    H    CYS  18           HN       CYS  18  -5.991   8.271   0.983
  122    HA   CYS  18           HA       CYS  18  -7.455  10.031  -0.864
  123    HB2  CYS  18          2HB       CYS  18  -5.885   9.147  -2.597
  124    HB3  CYS  18          3HB       CYS  18  -5.085  10.033  -1.303
  125    H    ALA  19           HN       ALA  19  -8.074   7.339   0.685
  126    HA   ALA  19           HA       ALA  19  -9.593   5.667   0.350
  127    HB1  ALA  19          1HB       ALA  19 -10.523   7.513  -1.293
  128    HB2  ALA  19          2HB       ALA  19 -10.002   6.350  -2.513
  129    HB3  ALA  19          3HB       ALA  19 -11.173   5.872  -1.284
  130    H    HIS  20           HN       HIS  20  -6.770   5.338  -0.109
  131    HA   HIS  20           HA       HIS  20  -6.860   3.066  -1.979
  132    HB2  HIS  20          2HB       HIS  20  -4.705   5.145  -1.639
  133    HB3  HIS  20          3HB       HIS  20  -4.376   3.573  -2.362
  134    HD2  HIS  20          2HD       HIS  20  -7.001   3.377  -4.319
  135    HE1  HIS  20          1HE       HIS  20  -5.588   7.064  -5.873
  136    HE2  HIS  20          2HE       HIS  20  -7.147   5.117  -6.228
  137    H    SER  21           HN       SER  21  -6.725   1.265  -0.819
  138    HA   SER  21           HA       SER  21  -5.635   1.183   1.813
  139    HB2  SER  21          2HB       SER  21  -5.944  -1.349   1.474
  140    HB3  SER  21          3HB       SER  21  -7.389  -0.342   1.410
  141    HG   SER  21           HG       SER  21  -7.433  -0.534  -0.780
  142    H    PHE  22           HN       PHE  22  -3.877  -0.202   2.515
  143    HA   PHE  22           HA       PHE  22  -1.922  -1.044   0.564
  144    HB2  PHE  22          2HB       PHE  22  -1.396   1.274   2.423
  145    HB3  PHE  22          3HB       PHE  22  -0.105   0.343   1.670
  146    HD1  PHE  22          1HD       PHE  22   0.333   0.513  -0.700
  147    HD2  PHE  22          2HD       PHE  22  -2.794   2.754   1.121
  148    HE1  PHE  22          1HE       PHE  22   0.187   1.932  -2.705
  149    HE2  PHE  22          2HE       PHE  22  -2.946   4.175  -0.881
  150    HZ   PHE  22           HZ       PHE  22  -1.456   3.765  -2.798
  151    H    CYS  23           HN       CYS  23  -1.989  -3.085   1.404
  152    HA   CYS  23           HA       CYS  23  -2.114  -3.835   4.064
  153    HB2  CYS  23          2HB       CYS  23  -1.391  -6.002   3.374
  154    HB3  CYS  23          3HB       CYS  23  -2.323  -5.333   2.039
  155    H    GLN  24           HN       GLN  24  -0.586  -4.412   5.619
  156    HA   GLN  24           HA       GLN  24   1.597  -2.753   5.955
  157    HB2  GLN  24          2HB       GLN  24   0.450  -4.179   7.704
  158    HB3  GLN  24          3HB       GLN  24   1.399  -5.534   7.110
  159    HG2  GLN  24          2HG       GLN  24   2.712  -4.853   8.836
  160    HG3  GLN  24          3HG       GLN  24   3.405  -3.895   7.530
  161   HE21  GLN  24          1HE2      GLN  24   3.737  -1.854   8.001
  162   HE22  GLN  24          2HE2      GLN  24   2.857  -0.913   9.151
  163    H    LYS  25           HN       LYS  25   1.395  -5.856   4.343
  164    HA   LYS  25           HA       LYS  25   4.132  -6.439   4.160
  165    HB2  LYS  25          2HB       LYS  25   1.915  -7.130   2.222
  166    HB3  LYS  25          3HB       LYS  25   3.504  -7.885   2.265
  167    HG2  LYS  25          2HG       LYS  25   2.223  -7.989   4.851
  168    HG3  LYS  25          3HG       LYS  25   1.219  -8.720   3.597
  169    HD2  LYS  25          2HD       LYS  25   2.827 -10.318   3.070
  170    HD3  LYS  25          3HD       LYS  25   4.135  -9.380   3.793
  171    HE2  LYS  25          2HE       LYS  25   2.969  -9.753   6.018
  172    HE3  LYS  25          3HE       LYS  25   1.972 -10.943   5.182
  173    HZ1  LYS  25          1HZ       LYS  25   3.585 -12.425   5.382
  174    HZ2  LYS  25          2HZ       LYS  25   4.497 -11.315   6.275
  175    HZ3  LYS  25          3HZ       LYS  25   4.689 -11.409   4.597
  176    H    CYS  26           HN       CYS  26   2.056  -4.352   2.256
  177    HA   CYS  26           HA       CYS  26   4.060  -3.890   0.229
  178    HB2  CYS  26          2HB       CYS  26   1.271  -2.969   0.735
  179    HB3  CYS  26          3HB       CYS  26   2.294  -1.966  -0.288
  180    H    ILE  27           HN       ILE  27   2.597  -2.021   2.872
  181    HA   ILE  27           HA       ILE  27   4.004   0.356   2.508
  182    HB   ILE  27           HB       ILE  27   2.543  -0.894   4.745
  183   HG12  ILE  27          2HG1      ILE  27   2.662   1.977   3.810
  184   HG13  ILE  27          3HG1      ILE  27   1.631   0.760   3.068
  185   HG21  ILE  27          1HG2      ILE  27   4.731   1.114   5.188
  186   HG22  ILE  27          2HG2      ILE  27   3.354   0.975   6.280
  187   HG23  ILE  27          3HG2      ILE  27   4.432  -0.399   6.043
  188   HD11  ILE  27          1HD1      ILE  27   0.190   1.792   4.525
  189   HD12  ILE  27          2HD1      ILE  27   0.750   0.424   5.488
  190   HD13  ILE  27          3HD1      ILE  27   1.431   2.028   5.756
  191    H    ASP  28           HN       ASP  28   4.956  -2.643   4.041
  192    HA   ASP  28           HA       ASP  28   7.147  -1.838   5.524
  193    HB2  ASP  28          2HB       ASP  28   6.035  -4.259   4.809
  194    HB3  ASP  28          3HB       ASP  28   7.621  -4.320   4.045
  195    H    LYS  29           HN       LYS  29   7.139  -2.904   2.122
  196    HA   LYS  29           HA       LYS  29   9.874  -2.277   1.690
  197    HB2  LYS  29          2HB       LYS  29   7.583  -2.756  -0.217
  198    HB3  LYS  29          3HB       LYS  29   9.240  -2.493  -0.746
  199    HG2  LYS  29          2HG       LYS  29   9.934  -4.466   0.567
  200    HG3  LYS  29          3HG       LYS  29   8.240  -4.751   0.976
  201    HD2  LYS  29          2HD       LYS  29   7.935  -4.649  -1.636
  202    HD3  LYS  29          3HD       LYS  29   9.650  -5.069  -1.633
  203    HE2  LYS  29          2HE       LYS  29   8.871  -7.180  -1.547
  204    HE3  LYS  29          3HE       LYS  29   8.707  -6.839   0.175
  205    HZ1  LYS  29          1HZ       LYS  29   6.415  -6.331  -0.116
  206    HZ2  LYS  29          2HZ       LYS  29   6.700  -7.819  -0.869
  207    HZ3  LYS  29          3HZ       LYS  29   6.535  -6.417  -1.802
  208    H    TRP  30           HN       TRP  30   7.116  -0.794   0.002
  209    HA   TRP  30           HA       TRP  30   8.507   1.542  -0.693
  210    HB2  TRP  30          2HB       TRP  30   5.519   1.470  -0.362
  211    HB3  TRP  30          3HB       TRP  30   6.476   2.340  -1.558
  212    HD1  TRP  30          1HD       TRP  30   4.327  -0.577  -1.305
  213    HE1  TRP  30          1HE       TRP  30   4.708  -2.202  -3.265
  214    HE3  TRP  30          3HE       TRP  30   8.744   1.299  -3.069
  215    HZ2  TRP  30          2HZ       TRP  30   6.627  -2.632  -5.290
  216    HZ3  TRP  30          3HZ       TRP  30   9.787   0.223  -5.021
  217    HH2  TRP  30          2HH       TRP  30   8.749  -1.702  -6.107
  218    H    SER  31           HN       SER  31   7.062   3.721  -0.043
  219    HA   SER  31           HA       SER  31   7.047   5.374   1.531
  220    HB2  SER  31          2HB       SER  31   5.795   3.113   3.104
  221    HB3  SER  31          3HB       SER  31   5.767   4.804   3.601
  222    HG   SER  31           HG       SER  31   4.843   5.048   1.313
  223    H    ASP  32           HN       ASP  32   9.480   5.060   1.473
  224    HA   ASP  32           HA       ASP  32  10.468   4.213   4.116
  225    HB2  ASP  32          2HB       ASP  32  11.537   2.887   2.462
  226    HB3  ASP  32          3HB       ASP  32  11.812   4.278   1.418
  227    H    ARG  33           HN       ARG  33   9.878   6.874   2.134
  228    HA   ARG  33           HA       ARG  33  11.684   8.547   3.754
  229    HB2  ARG  33          2HB       ARG  33  12.188   8.351   1.252
  230    HB3  ARG  33          3HB       ARG  33  10.712   9.273   0.997
  231    HG2  ARG  33          2HG       ARG  33  12.252  10.952   0.984
  232    HG3  ARG  33          3HG       ARG  33  11.838  10.927   2.699
  233    HD2  ARG  33          2HD       ARG  33  13.827   9.107   2.653
  234    HD3  ARG  33          3HD       ARG  33  14.335  10.160   1.334
  235    HE   ARG  33           HE       ARG  33  13.621  11.564   3.741
  236   HH11  ARG  33          1HH1      ARG  33  16.171   9.946   2.010
  237   HH12  ARG  33          2HH1      ARG  33  17.442  10.786   2.836
  238   HH21  ARG  33          1HH2      ARG  33  15.284  12.677   4.834
  239   HH22  ARG  33          2HH2      ARG  33  16.936  12.340   4.443
  240    H    HIS  34           HN       HIS  34   8.809   8.953   1.677
  241    HA   HIS  34           HA       HIS  34   7.691  10.737   3.732
  242    HB2  HIS  34          2HB       HIS  34   6.127  11.205   1.578
  243    HB3  HIS  34          3HB       HIS  34   7.603  12.103   1.922
  244    HD2  HIS  34          2HD       HIS  34   7.317   8.580   0.133
  245    HE1  HIS  34          1HE       HIS  34   9.365  11.308  -2.390
  246    HE2  HIS  34          2HE       HIS  34   8.498   8.957  -2.138
  247    H    ARG  35           HN       ARG  35   5.075  10.781   3.118
  248    HA   ARG  35           HA       ARG  35   4.221   7.985   3.492
  249    HB2  ARG  35          2HB       ARG  35   2.333   8.915   4.828
  250    HB3  ARG  35          3HB       ARG  35   3.913   9.195   5.546
  251    HG2  ARG  35          2HG       ARG  35   3.566  11.454   4.058
  252    HG3  ARG  35          3HG       ARG  35   1.920  11.099   4.585
  253    HD2  ARG  35          2HD       ARG  35   2.610  11.072   6.890
  254    HD3  ARG  35          3HD       ARG  35   4.303  11.239   6.425
  255    HE   ARG  35           HE       ARG  35   3.215  13.443   5.358
  256   HH11  ARG  35          1HH1      ARG  35   2.957  12.027   8.528
  257   HH12  ARG  35          2HH1      ARG  35   2.726  13.545   9.331
  258   HH21  ARG  35          1HH2      ARG  35   2.911  15.448   6.403
  259   HH22  ARG  35          2HH2      ARG  35   2.699  15.490   8.120
  260    H    ASN  36           HN       ASN  36   4.442   9.747   1.041
  261    HA   ASN  36           HA       ASN  36   1.841  10.429   0.175
  262    HB2  ASN  36          2HB       ASN  36   3.947   9.620  -1.789
  263    HB3  ASN  36          3HB       ASN  36   2.815  10.969  -1.853
  264   HD21  ASN  36          1HD2      ASN  36   3.362  11.908   0.800
  265   HD22  ASN  36          2HD2      ASN  36   4.929  12.636   0.763
  266    H    CYS  37           HN       CYS  37   1.413   9.291  -2.247
  267    HA   CYS  37           HA       CYS  37   1.204   6.403  -1.734
  268    HB2  CYS  37          2HB       CYS  37  -0.975   7.003  -1.225
  269    HB3  CYS  37          3HB       CYS  37  -0.982   8.345  -2.364
  270    HA   PRO  38           HA       PRO  38   2.764   5.997  -5.830
  271    HB2  PRO  38          2HB       PRO  38   1.902   3.481  -6.373
  272    HB3  PRO  38          3HB       PRO  38   3.242   3.820  -5.271
  273    HG2  PRO  38          2HG       PRO  38   0.378   3.215  -4.641
  274    HG3  PRO  38          3HG       PRO  38   1.848   2.612  -3.854
  275    HD2  PRO  38          2HD       PRO  38   0.356   4.618  -2.813
  276    HD3  PRO  38          3HD       PRO  38   2.117   4.531  -2.604
  277    H    ILE  39           HN       ILE  39  -0.534   4.683  -5.432
  278    HA   ILE  39           HA       ILE  39  -1.329   4.909  -8.093
  279    HB   ILE  39           HB       ILE  39  -3.059   5.147  -5.629
  280   HG12  ILE  39          2HG1      ILE  39  -3.342   2.634  -6.884
  281   HG13  ILE  39          3HG1      ILE  39  -1.611   2.940  -6.781
  282   HG21  ILE  39          1HG2      ILE  39  -4.759   4.153  -7.326
  283   HG22  ILE  39          2HG2      ILE  39  -4.436   5.885  -7.328
  284   HG23  ILE  39          3HG2      ILE  39  -3.680   4.847  -8.537
  285   HD11  ILE  39          1HD1      ILE  39  -1.581   2.777  -4.534
  286   HD12  ILE  39          2HD1      ILE  39  -3.192   3.472  -4.348
  287   HD13  ILE  39          3HD1      ILE  39  -3.008   1.786  -4.831
  288    H    CYS  40           HN       CYS  40  -1.004   7.323  -5.636
  289    HA   CYS  40           HA       CYS  40  -2.589   9.280  -7.084
  290    HB2  CYS  40          2HB       CYS  40  -1.016   9.401  -4.510
  291    HB3  CYS  40          3HB       CYS  40  -1.802  10.810  -5.216
  292    H    ARG  41           HN       ARG  41   0.804   8.686  -6.268
  293    HA   ARG  41           HA       ARG  41   1.752  11.021  -7.632
  294    HB2  ARG  41          2HB       ARG  41   3.143   8.587  -6.517
  295    HB3  ARG  41          3HB       ARG  41   4.003   9.893  -7.321
  296    HG2  ARG  41          2HG       ARG  41   2.597  11.312  -5.526
  297    HG3  ARG  41          3HG       ARG  41   2.779   9.794  -4.645
  298    HD2  ARG  41          2HD       ARG  41   4.766  10.616  -4.020
  299    HD3  ARG  41          3HD       ARG  41   5.290  10.174  -5.644
  300    HE   ARG  41           HE       ARG  41   5.613  12.393  -6.002
  301   HH11  ARG  41          1HH1      ARG  41   3.016  12.031  -3.710
  302   HH12  ARG  41          2HH1      ARG  41   2.758  13.735  -3.538
  303   HH21  ARG  41          1HH2      ARG  41   5.282  14.639  -5.782
  304   HH22  ARG  41          2HH2      ARG  41   4.046  15.218  -4.717
  305    H    LEU  42           HN       LEU  42   0.842   7.871  -8.583
  306    HA   LEU  42           HA       LEU  42   1.879   8.390 -11.279
  307    HB2  LEU  42          2HB       LEU  42   2.938   6.402 -11.488
  308    HB3  LEU  42          3HB       LEU  42   3.133   6.620  -9.749
  309    HG   LEU  42           HG       LEU  42   0.795   5.252  -9.829
  310   HD11  LEU  42          1HD1      LEU  42   2.467   4.095 -12.050
  311   HD12  LEU  42          2HD1      LEU  42   0.992   5.029 -12.297
  312   HD13  LEU  42          3HD1      LEU  42   0.927   3.489 -11.441
  313   HD21  LEU  42          1HD2      LEU  42   3.301   3.660  -9.953
  314   HD22  LEU  42          2HD2      LEU  42   1.968   3.585  -8.800
  315   HD23  LEU  42          3HD2      LEU  42   3.154   4.887  -8.695
  Start of MODEL   11
    1    H1   GLU   1           HN       GLU   1 -11.956   2.479   1.406
    2    HA   GLU   1           HA       GLU   1 -13.226  -0.120   0.940
    3    HB2  GLU   1          2HB       GLU   1 -10.824   0.957  -0.520
    4    HB3  GLU   1          3HB       GLU   1 -11.952  -0.285  -1.045
    5    HG2  GLU   1          2HG       GLU   1 -13.709   1.404  -1.253
    6    HG3  GLU   1          3HG       GLU   1 -12.565   2.647  -0.748
    7    H    GLU   2           HN       GLU   2 -11.863  -2.048   0.868
    8    HA   GLU   2           HA       GLU   2  -9.655  -1.895   2.815
    9    HB2  GLU   2          2HB       GLU   2 -12.037  -3.425   2.898
   10    HB3  GLU   2          3HB       GLU   2 -10.718  -4.550   2.603
   11    HG2  GLU   2          2HG       GLU   2  -9.655  -4.021   4.602
   12    HG3  GLU   2          3HG       GLU   2 -10.540  -2.508   4.782
   13    H    GLU   3           HN       GLU   3  -8.605  -4.395   2.564
   14    HA   GLU   3           HA       GLU   3  -7.107  -5.608   1.356
   15    HB2  GLU   3          2HB       GLU   3  -8.534  -4.919  -1.184
   16    HB3  GLU   3          3HB       GLU   3  -7.792  -6.438  -0.701
   17    HG2  GLU   3          2HG       GLU   3  -9.600  -7.045   0.628
   18    HG3  GLU   3          3HG       GLU   3 -10.212  -5.394   0.713
   19    H    CYS   4           HN       CYS   4  -5.221  -5.378   0.129
   20    HA   CYS   4           HA       CYS   4  -4.200  -2.754  -0.059
   21    HB2  CYS   4          2HB       CYS   4  -2.884  -4.900   0.293
   22    HB3  CYS   4          3HB       CYS   4  -3.056  -5.185  -1.437
   23    H    CYS   5           HN       CYS   5  -3.636  -1.510  -1.863
   24    HA   CYS   5           HA       CYS   5  -5.339  -1.979  -4.191
   25    HB2  CYS   5          2HB       CYS   5  -5.307   0.235  -2.928
   26    HB3  CYS   5          3HB       CYS   5  -3.708   0.491  -3.613
   27    HG   CYS   5           HG       CYS   5  -4.563   0.531  -6.253
   28    H    ILE   6           HN       ILE   6  -2.108  -2.284  -3.219
   29    HA   ILE   6           HA       ILE   6  -1.051  -2.037  -5.930
   30    HB   ILE   6           HB       ILE   6   0.283  -2.459  -3.263
   31   HG12  ILE   6          2HG1      ILE   6   0.296  -0.237  -5.310
   32   HG13  ILE   6          3HG1      ILE   6  -0.326  -0.173  -3.664
   33   HG21  ILE   6          1HG2      ILE   6   1.523  -3.819  -4.764
   34   HG22  ILE   6          2HG2      ILE   6   1.482  -2.584  -6.020
   35   HG23  ILE   6          3HG2      ILE   6   2.431  -2.321  -4.557
   36   HD11  ILE   6          1HD1      ILE   6   2.531  -0.282  -4.565
   37   HD12  ILE   6          2HD1      ILE   6   1.718   0.975  -3.632
   38   HD13  ILE   6          3HD1      ILE   6   2.045  -0.596  -2.900
   39    H    CYS   7           HN       CYS   7  -1.201  -4.452  -3.319
   40    HA   CYS   7           HA       CYS   7  -0.777  -6.545  -5.351
   41    HB2  CYS   7          2HB       CYS   7   0.217  -7.924  -3.662
   42    HB3  CYS   7          3HB       CYS   7   0.985  -6.342  -3.570
   43    H    MET   8           HN       MET   8  -3.304  -5.593  -5.154
   44    HA   MET   8           HA       MET   8  -5.142  -6.394  -3.401
   45    HB2  MET   8          2HB       MET   8  -6.168  -5.510  -5.234
   46    HB3  MET   8          3HB       MET   8  -5.120  -6.356  -6.363
   47    HG2  MET   8          2HG       MET   8  -6.457  -8.186  -6.458
   48    HG3  MET   8          3HG       MET   8  -7.038  -7.984  -4.807
   49    HE1  MET   8          1HE       MET   8  -8.754  -6.100  -8.614
   50    HE2  MET   8          2HE       MET   8  -7.067  -5.831  -8.178
   51    HE3  MET   8          3HE       MET   8  -7.642  -7.466  -8.506
   52    H    ASP   9           HN       ASP   9  -4.632  -8.166  -2.151
   53    HA   ASP   9           HA       ASP   9  -5.328 -10.733  -3.295
   54    HB2  ASP   9          2HB       ASP   9  -2.924 -10.654  -3.728
   55    HB3  ASP   9          3HB       ASP   9  -2.614 -10.276  -2.036
   56    H    GLY  10           HN       GLY  10  -3.668  -9.519  -0.371
   57    HA2  GLY  10          1HA       GLY  10  -5.342 -11.186   1.304
   58    HA3  GLY  10          2HA       GLY  10  -4.041 -10.135   1.842
   59    H    ARG  11           HN       ARG  11  -4.730  -8.586   3.142
   60    HA   ARG  11           HA       ARG  11  -7.334  -7.332   2.567
   61    HB2  ARG  11          2HB       ARG  11  -6.157  -7.822   5.308
   62    HB3  ARG  11          3HB       ARG  11  -7.713  -7.081   4.957
   63    HG2  ARG  11          2HG       ARG  11  -8.599  -9.100   5.177
   64    HG3  ARG  11          3HG       ARG  11  -7.821  -9.518   3.649
   65    HD2  ARG  11          2HD       ARG  11  -7.062 -11.189   5.054
   66    HD3  ARG  11          3HD       ARG  11  -5.752 -10.012   5.135
   67    HE   ARG  11           HE       ARG  11  -7.672  -9.565   7.182
   68   HH11  ARG  11          1HH1      ARG  11  -5.010 -11.616   6.271
   69   HH12  ARG  11          2HH1      ARG  11  -4.582 -12.006   7.904
   70   HH21  ARG  11          1HH2      ARG  11  -7.117 -10.071   9.336
   71   HH22  ARG  11          2HH2      ARG  11  -5.782 -11.127   9.647
   72    H    ALA  12           HN       ALA  12  -7.442  -5.204   4.032
   73    HA   ALA  12           HA       ALA  12  -5.041  -3.669   3.314
   74    HB1  ALA  12          1HB       ALA  12  -7.924  -2.903   3.626
   75    HB2  ALA  12          2HB       ALA  12  -6.641  -1.692   3.630
   76    HB3  ALA  12          3HB       ALA  12  -6.875  -2.724   2.219
   77    H    ASP  13           HN       ASP  13  -3.765  -2.892   4.860
   78    HA   ASP  13           HA       ASP  13  -4.713  -2.997   7.636
   79    HB2  ASP  13          2HB       ASP  13  -2.502  -4.124   6.667
   80    HB3  ASP  13          3HB       ASP  13  -1.845  -2.521   6.988
   81    H    LEU  14           HN       LEU  14  -3.753  -0.844   5.136
   82    HA   LEU  14           HA       LEU  14  -4.122   1.416   6.963
   83    HB2  LEU  14          2HB       LEU  14  -1.634   0.707   6.202
   84    HB3  LEU  14          3HB       LEU  14  -2.072   1.780   4.874
   85    HG   LEU  14           HG       LEU  14  -1.113   3.312   6.236
   86   HD11  LEU  14          1HD1      LEU  14  -3.580   3.364   7.883
   87   HD12  LEU  14          2HD1      LEU  14  -3.746   3.565   6.139
   88   HD13  LEU  14          3HD1      LEU  14  -2.736   4.677   7.062
   89   HD21  LEU  14          1HD2      LEU  14  -0.881   3.148   8.611
   90   HD22  LEU  14          2HD2      LEU  14  -0.507   1.570   7.917
   91   HD23  LEU  14          3HD2      LEU  14  -2.069   1.847   8.690
   92    H    ILE  15           HN       ILE  15  -6.019   2.127   6.160
   93    HA   ILE  15           HA       ILE  15  -6.407   2.326   3.280
   94    HB   ILE  15           HB       ILE  15  -8.327   3.112   5.472
   95   HG12  ILE  15          2HG1      ILE  15  -8.172   0.504   3.945
   96   HG13  ILE  15          3HG1      ILE  15  -7.660   0.723   5.615
   97   HG21  ILE  15          1HG2      ILE  15  -8.962   2.339   2.640
   98   HG22  ILE  15          2HG2      ILE  15  -9.999   3.144   3.817
   99   HG23  ILE  15          3HG2      ILE  15  -8.630   4.005   3.112
  100   HD11  ILE  15          1HD1      ILE  15 -10.145  -0.075   4.767
  101   HD12  ILE  15          2HD1      ILE  15  -9.737   0.527   6.375
  102   HD13  ILE  15          3HD1      ILE  15 -10.377   1.629   5.156
  103    H    LEU  16           HN       LEU  16  -5.121   3.996   2.586
  104    HA   LEU  16           HA       LEU  16  -4.661   6.428   3.820
  105    HB2  LEU  16          2HB       LEU  16  -4.702   5.572   0.953
  106    HB3  LEU  16          3HB       LEU  16  -4.418   7.260   1.373
  107    HG   LEU  16           HG       LEU  16  -2.694   4.868   1.942
  108   HD11  LEU  16          1HD1      LEU  16  -2.704   6.856  -0.025
  109   HD12  LEU  16          2HD1      LEU  16  -1.428   5.686   0.315
  110   HD13  LEU  16          3HD1      LEU  16  -1.390   7.277   1.074
  111   HD21  LEU  16          1HD2      LEU  16  -2.730   5.956   4.040
  112   HD22  LEU  16          2HD2      LEU  16  -2.671   7.554   3.298
  113   HD23  LEU  16          3HD2      LEU  16  -1.259   6.499   3.234
  114    HA   PRO  17           HA       PRO  17  -8.329   8.820   3.540
  115    HB2  PRO  17          2HB       PRO  17  -7.344  11.298   3.033
  116    HB3  PRO  17          3HB       PRO  17  -7.186  10.505   4.604
  117    HG2  PRO  17          2HG       PRO  17  -5.189  10.729   2.385
  118    HG3  PRO  17          3HG       PRO  17  -4.947  10.920   4.131
  119    HD2  PRO  17          2HD       PRO  17  -4.300   8.646   2.810
  120    HD3  PRO  17          3HD       PRO  17  -4.861   8.645   4.496
  121    H    CYS  18           HN       CYS  18  -6.555   8.066   0.867
  122    HA   CYS  18           HA       CYS  18  -8.231   9.660  -0.950
  123    HB2  CYS  18          2HB       CYS  18  -5.841   9.934  -1.326
  124    HB3  CYS  18          3HB       CYS  18  -5.638   8.191  -1.465
  125    H    ALA  19           HN       ALA  19  -8.346   6.794   0.517
  126    HA   ALA  19           HA       ALA  19  -9.771   5.024   0.137
  127    HB1  ALA  19          1HB       ALA  19 -10.672   6.752  -1.729
  128    HB2  ALA  19          2HB       ALA  19 -10.077   5.451  -2.760
  129    HB3  ALA  19          3HB       ALA  19 -11.289   5.112  -1.524
  130    H    HIS  20           HN       HIS  20  -6.781   5.480  -0.770
  131    HA   HIS  20           HA       HIS  20  -6.520   2.978  -2.295
  132    HB2  HIS  20          2HB       HIS  20  -4.755   5.405  -2.060
  133    HB3  HIS  20          3HB       HIS  20  -4.127   3.872  -2.657
  134    HD2  HIS  20          2HD       HIS  20  -6.585   3.058  -4.656
  135    HE1  HIS  20          1HE       HIS  20  -5.844   6.837  -6.434
  136    HE2  HIS  20          2HE       HIS  20  -6.989   4.608  -6.686
  137    H    SER  21           HN       SER  21  -6.544   1.457  -0.687
  138    HA   SER  21           HA       SER  21  -5.130   1.719   1.762
  139    HB2  SER  21          2HB       SER  21  -5.730  -1.002   0.732
  140    HB3  SER  21          3HB       SER  21  -6.051  -0.300   2.317
  141    HG   SER  21           HG       SER  21  -7.603   1.056   0.870
  142    H    PHE  22           HN       PHE  22  -3.412   0.170   2.454
  143    HA   PHE  22           HA       PHE  22  -1.676  -0.881   0.403
  144    HB2  PHE  22          2HB       PHE  22  -0.824   1.476   2.094
  145    HB3  PHE  22          3HB       PHE  22   0.296   0.465   1.187
  146    HD1  PHE  22          1HD       PHE  22  -2.113   3.151   1.033
  147    HD2  PHE  22          2HD       PHE  22   0.199   0.432  -1.287
  148    HE1  PHE  22          1HE       PHE  22  -2.475   4.548  -0.960
  149    HE2  PHE  22          2HE       PHE  22  -0.157   1.826  -3.282
  150    HZ   PHE  22           HZ       PHE  22  -1.496   3.888  -3.121
  151    H    CYS  23           HN       CYS  23  -1.892  -2.851   1.432
  152    HA   CYS  23           HA       CYS  23  -1.873  -3.537   4.041
  153    HB2  CYS  23          2HB       CYS  23  -1.029  -5.684   3.431
  154    HB3  CYS  23          3HB       CYS  23  -1.958  -5.097   2.055
  155    H    GLN  24           HN       GLN  24  -0.430  -3.810   5.696
  156    HA   GLN  24           HA       GLN  24   1.731  -2.105   5.929
  157    HB2  GLN  24          2HB       GLN  24   0.466  -3.416   7.748
  158    HB3  GLN  24          3HB       GLN  24   1.599  -4.718   7.414
  159    HG2  GLN  24          2HG       GLN  24   2.783  -3.740   9.048
  160    HG3  GLN  24          3HG       GLN  24   3.322  -2.688   7.741
  161   HE21  GLN  24          1HE2      GLN  24   2.261  -0.645   7.483
  162   HE22  GLN  24          2HE2      GLN  24   1.546   0.137   8.847
  163    H    LYS  25           HN       LYS  25   1.575  -5.285   4.540
  164    HA   LYS  25           HA       LYS  25   4.324  -5.919   4.604
  165    HB2  LYS  25          2HB       LYS  25   2.326  -6.794   2.515
  166    HB3  LYS  25          3HB       LYS  25   3.812  -7.616   2.977
  167    HG2  LYS  25          2HG       LYS  25   2.280  -7.330   5.322
  168    HG3  LYS  25          3HG       LYS  25   1.187  -7.895   4.056
  169    HD2  LYS  25          2HD       LYS  25   3.815  -9.228   4.175
  170    HD3  LYS  25          3HD       LYS  25   2.742  -9.525   5.544
  171    HE2  LYS  25          2HE       LYS  25   2.477 -11.199   3.759
  172    HE3  LYS  25          3HE       LYS  25   0.997 -10.289   4.053
  173    HZ1  LYS  25          1HZ       LYS  25   1.929  -8.807   2.146
  174    HZ2  LYS  25          2HZ       LYS  25   1.111 -10.242   1.784
  175    HZ3  LYS  25          3HZ       LYS  25   2.802 -10.199   1.740
  176    H    CYS  26           HN       CYS  26   2.383  -3.965   2.453
  177    HA   CYS  26           HA       CYS  26   4.500  -3.718   0.490
  178    HB2  CYS  26          2HB       CYS  26   1.677  -2.785   0.722
  179    HB3  CYS  26          3HB       CYS  26   2.759  -1.880  -0.332
  180    H    ILE  27           HN       ILE  27   2.902  -1.666   2.900
  181    HA   ILE  27           HA       ILE  27   4.343   0.688   2.365
  182    HB   ILE  27           HB       ILE  27   2.764  -0.309   4.688
  183   HG12  ILE  27          2HG1      ILE  27   2.666   2.107   2.876
  184   HG13  ILE  27          3HG1      ILE  27   1.552   0.745   2.903
  185   HG21  ILE  27          1HG2      ILE  27   4.588   2.088   4.763
  186   HG22  ILE  27          2HG2      ILE  27   3.275   1.808   5.905
  187   HG23  ILE  27          3HG2      ILE  27   4.626   0.678   5.822
  188   HD11  ILE  27          1HD1      ILE  27   1.821   2.985   4.866
  189   HD12  ILE  27          2HD1      ILE  27   0.399   2.458   3.965
  190   HD13  ILE  27          3HD1      ILE  27   1.016   1.475   5.292
  191    H    ASP  28           HN       ASP  28   5.364  -2.238   3.702
  192    HA   ASP  28           HA       ASP  28   7.521  -1.038   5.260
  193    HB2  ASP  28          2HB       ASP  28   6.096  -3.149   5.899
  194    HB3  ASP  28          3HB       ASP  28   7.226  -3.990   4.841
  195    H    LYS  29           HN       LYS  29   7.021  -3.018   2.379
  196    HA   LYS  29           HA       LYS  29   9.814  -3.305   1.817
  197    HB2  LYS  29          2HB       LYS  29   7.265  -4.008   0.448
  198    HB3  LYS  29          3HB       LYS  29   8.715  -3.896  -0.541
  199    HG2  LYS  29          2HG       LYS  29   9.807  -5.586   0.755
  200    HG3  LYS  29          3HG       LYS  29   8.486  -5.605   1.926
  201    HD2  LYS  29          2HD       LYS  29   6.986  -6.254  -0.035
  202    HD3  LYS  29          3HD       LYS  29   8.478  -6.567  -0.924
  203    HE2  LYS  29          2HE       LYS  29   7.773  -7.825   1.724
  204    HE3  LYS  29          3HE       LYS  29   7.491  -8.583   0.158
  205    HZ1  LYS  29          1HZ       LYS  29   9.680  -9.004   1.549
  206    HZ2  LYS  29          2HZ       LYS  29  10.192  -7.625   0.715
  207    HZ3  LYS  29          3HZ       LYS  29   9.685  -8.991  -0.143
  208    H    TRP  30           HN       TRP  30   7.550  -2.053  -0.568
  209    HA   TRP  30           HA       TRP  30   9.304  -0.401  -1.878
  210    HB2  TRP  30          2HB       TRP  30   6.412   0.366  -1.549
  211    HB3  TRP  30          3HB       TRP  30   7.451   0.570  -2.958
  212    HD1  TRP  30          1HD       TRP  30   4.915  -1.731  -1.508
  213    HE1  TRP  30          1HE       TRP  30   4.706  -3.850  -2.957
  214    HE3  TRP  30          3HE       TRP  30   9.054  -1.117  -4.446
  215    HZ2  TRP  30          2HZ       TRP  30   6.112  -5.095  -5.065
  216    HZ3  TRP  30          3HZ       TRP  30   9.551  -2.818  -6.154
  217    HH2  TRP  30          2HH       TRP  30   8.110  -4.764  -6.455
  218    H    SER  31           HN       SER  31  10.586   1.046  -0.910
  219    HA   SER  31           HA       SER  31  10.072   2.450   1.430
  220    HB2  SER  31          2HB       SER  31  12.319   2.407   0.751
  221    HB3  SER  31          3HB       SER  31  11.932   2.953  -0.881
  222    HG   SER  31           HG       SER  31  12.870   4.519   0.725
  223    H    ASP  32           HN       ASP  32   7.959   3.273   1.351
  224    HA   ASP  32           HA       ASP  32   7.155   5.142  -0.672
  225    HB2  ASP  32          2HB       ASP  32   5.922   4.395   1.987
  226    HB3  ASP  32          3HB       ASP  32   5.175   5.489   0.825
  227    H    ARG  33           HN       ARG  33   8.336   6.974  -0.756
  228    HA   ARG  33           HA       ARG  33   9.711   8.332   1.111
  229    HB2  ARG  33          2HB       ARG  33   7.944   9.515  -1.034
  230    HB3  ARG  33          3HB       ARG  33   9.126  10.441  -0.118
  231    HG2  ARG  33          2HG       ARG  33  10.862   8.807  -0.958
  232    HG3  ARG  33          3HG       ARG  33   9.624   8.211  -2.065
  233    HD2  ARG  33          2HD       ARG  33  10.330   9.801  -3.464
  234    HD3  ARG  33          3HD       ARG  33   9.493  10.935  -2.403
  235    HE   ARG  33           HE       ARG  33  11.524  11.728  -1.727
  236   HH11  ARG  33          1HH1      ARG  33  11.974   8.610  -3.208
  237   HH12  ARG  33          2HH1      ARG  33  13.703   8.691  -3.158
  238   HH21  ARG  33          1HH2      ARG  33  13.800  11.847  -1.656
  239   HH22  ARG  33          2HH2      ARG  33  14.742  10.532  -2.274
  240    H    HIS  34           HN       HIS  34   6.248   8.896   0.476
  241    HA   HIS  34           HA       HIS  34   5.926   9.665   3.284
  242    HB2  HIS  34          2HB       HIS  34   4.298  11.484   2.363
  243    HB3  HIS  34          3HB       HIS  34   6.027  11.814   2.406
  244    HD2  HIS  34          2HD       HIS  34   6.977  12.728   0.047
  245    HE1  HIS  34          1HE       HIS  34   3.898  11.235  -2.460
  246    HE2  HIS  34          2HE       HIS  34   6.059  12.525  -2.361
  247    H    ARG  35           HN       ARG  35   3.830   9.358   4.124
  248    HA   ARG  35           HA       ARG  35   2.359   7.257   2.804
  249    HB2  ARG  35          2HB       ARG  35   1.788   8.682   5.410
  250    HB3  ARG  35          3HB       ARG  35   1.013   7.206   4.849
  251    HG2  ARG  35          2HG       ARG  35   2.565   6.097   5.981
  252    HG3  ARG  35          3HG       ARG  35   3.717   6.621   4.751
  253    HD2  ARG  35          2HD       ARG  35   3.089   8.495   6.971
  254    HD3  ARG  35          3HD       ARG  35   4.100   7.095   7.331
  255    HE   ARG  35           HE       ARG  35   4.807   9.392   5.728
  256   HH11  ARG  35          1HH1      ARG  35   5.533   6.086   6.543
  257   HH12  ARG  35          2HH1      ARG  35   7.182   6.181   6.017
  258   HH21  ARG  35          1HH2      ARG  35   6.975   9.530   5.033
  259   HH22  ARG  35          2HH2      ARG  35   8.001   8.141   5.159
  260    H    ASN  36           HN       ASN  36   2.221   9.449   1.208
  261    HA   ASN  36           HA       ASN  36  -0.300  10.810   1.732
  262    HB2  ASN  36          2HB       ASN  36   1.851  11.145  -0.351
  263    HB3  ASN  36          3HB       ASN  36   0.298  11.964  -0.486
  264   HD21  ASN  36          1HD2      ASN  36  -0.247  12.695   2.048
  265   HD22  ASN  36          2HD2      ASN  36   0.948  13.798   2.631
  266    H    CYS  37           HN       CYS  37   1.073   9.268  -1.177
  267    HA   CYS  37           HA       CYS  37  -0.898   7.346  -1.548
  268    HB2  CYS  37          2HB       CYS  37  -1.987   9.855  -1.955
  269    HB3  CYS  37          3HB       CYS  37  -1.591   9.322  -3.585
  270    HA   PRO  38           HA       PRO  38   2.769   7.167  -4.336
  271    HB2  PRO  38          2HB       PRO  38   3.270   4.542  -3.857
  272    HB3  PRO  38          3HB       PRO  38   3.878   5.840  -2.824
  273    HG2  PRO  38          2HG       PRO  38   1.498   4.066  -2.435
  274    HG3  PRO  38          3HG       PRO  38   2.715   4.581  -1.252
  275    HD2  PRO  38          2HD       PRO  38   0.270   5.731  -1.422
  276    HD3  PRO  38          3HD       PRO  38   1.717   6.634  -0.933
  277    H    ILE  39           HN       ILE  39  -0.347   6.109  -4.379
  278    HA   ILE  39           HA       ILE  39  -0.024   4.369  -6.713
  279    HB   ILE  39           HB       ILE  39  -2.206   4.817  -4.744
  280   HG12  ILE  39          2HG1      ILE  39  -0.459   2.839  -5.030
  281   HG13  ILE  39          3HG1      ILE  39  -2.103   2.538  -4.476
  282   HG21  ILE  39          1HG2      ILE  39  -3.439   5.349  -6.686
  283   HG22  ILE  39          2HG2      ILE  39  -2.657   4.077  -7.622
  284   HG23  ILE  39          3HG2      ILE  39  -3.792   3.656  -6.339
  285   HD11  ILE  39          1HD1      ILE  39  -1.319   0.942  -6.188
  286   HD12  ILE  39          2HD1      ILE  39  -2.764   1.831  -6.671
  287   HD13  ILE  39          3HD1      ILE  39  -1.190   2.279  -7.331
  288    H    CYS  40           HN       CYS  40  -1.131   7.528  -5.776
  289    HA   CYS  40           HA       CYS  40  -2.396   8.029  -8.344
  290    HB2  CYS  40          2HB       CYS  40  -2.061   9.649  -5.827
  291    HB3  CYS  40          3HB       CYS  40  -2.658  10.376  -7.317
  292    H    ARG  41           HN       ARG  41   0.623   8.588  -6.743
  293    HA   ARG  41           HA       ARG  41   1.679  10.770  -8.008
  294    HB2  ARG  41          2HB       ARG  41   3.858   9.847  -7.611
  295    HB3  ARG  41          3HB       ARG  41   2.817   9.371  -6.275
  296    HG2  ARG  41          2HG       ARG  41   2.953   7.181  -6.773
  297    HG3  ARG  41          3HG       ARG  41   2.963   7.467  -8.514
  298    HD2  ARG  41          2HD       ARG  41   5.305   8.216  -8.351
  299    HD3  ARG  41          3HD       ARG  41   5.282   7.854  -6.625
  300    HE   ARG  41           HE       ARG  41   4.552   5.613  -8.259
  301   HH11  ARG  41          1HH1      ARG  41   7.217   7.405  -6.914
  302   HH12  ARG  41          2HH1      ARG  41   8.312   6.064  -6.962
  303   HH21  ARG  41          1HH2      ARG  41   5.985   3.840  -8.325
  304   HH22  ARG  41          2HH2      ARG  41   7.610   4.036  -7.765
  305    H    LEU  42           HN       LEU  42   0.851   7.728  -9.404
  306    HA   LEU  42           HA       LEU  42   2.496   7.599 -11.626
  307    HB2  LEU  42          2HB       LEU  42  -0.395   6.826 -11.303
  308    HB3  LEU  42          3HB       LEU  42   0.564   6.429 -12.728
  309    HG   LEU  42           HG       LEU  42   1.385   5.547  -9.976
  310   HD11  LEU  42          1HD1      LEU  42  -0.864   4.618 -11.566
  311   HD12  LEU  42          2HD1      LEU  42  -0.434   4.264  -9.894
  312   HD13  LEU  42          3HD1      LEU  42   0.296   3.339 -11.205
  313   HD21  LEU  42          1HD2      LEU  42   2.974   4.346 -11.018
  314   HD22  LEU  42          2HD2      LEU  42   2.726   5.499 -12.329
  315   HD23  LEU  42          3HD2      LEU  42   1.921   3.930 -12.370
  Start of MODEL   12
    1    H1   GLU   1           HN       GLU   1 -14.590  -5.991   5.800
    2    HA   GLU   1           HA       GLU   1 -13.662  -3.670   5.182
    3    HB2  GLU   1          2HB       GLU   1 -12.423  -5.922   6.326
    4    HB3  GLU   1          3HB       GLU   1 -11.266  -5.276   5.170
    5    HG2  GLU   1          2HG       GLU   1 -11.472  -3.067   6.232
    6    HG3  GLU   1          3HG       GLU   1 -12.569  -3.764   7.422
    7    H    GLU   2           HN       GLU   2 -11.232  -3.373   4.041
    8    HA   GLU   2           HA       GLU   2 -11.816  -3.846   1.201
    9    HB2  GLU   2          2HB       GLU   2 -10.401  -1.678   2.689
   10    HB3  GLU   2          3HB       GLU   2  -9.906  -2.019   1.037
   11    HG2  GLU   2          2HG       GLU   2 -12.283  -1.721   0.342
   12    HG3  GLU   2          3HG       GLU   2 -12.636  -1.189   1.985
   13    H    GLU   3           HN       GLU   3  -9.547  -3.668  -0.076
   14    HA   GLU   3           HA       GLU   3  -7.591  -5.425   1.220
   15    HB2  GLU   3          2HB       GLU   3  -8.790  -5.916  -1.512
   16    HB3  GLU   3          3HB       GLU   3  -7.445  -6.812  -0.821
   17    HG2  GLU   3          2HG       GLU   3  -9.129  -7.273   1.120
   18    HG3  GLU   3          3HG       GLU   3 -10.334  -6.879  -0.105
   19    H    CYS   4           HN       CYS   4  -5.492  -5.401   0.228
   20    HA   CYS   4           HA       CYS   4  -4.452  -2.948  -0.340
   21    HB2  CYS   4          2HB       CYS   4  -3.251  -5.194   0.074
   22    HB3  CYS   4          3HB       CYS   4  -3.345  -5.409  -1.672
   23    H    CYS   5           HN       CYS   5  -4.213  -1.639  -2.073
   24    HA   CYS   5           HA       CYS   5  -5.706  -2.361  -4.479
   25    HB2  CYS   5          2HB       CYS   5  -5.861  -0.058  -4.953
   26    HB3  CYS   5          3HB       CYS   5  -6.044  -0.162  -3.207
   27    HG   CYS   5           HG       CYS   5  -3.214   0.432  -2.856
   28    H    ILE   6           HN       ILE   6  -3.174  -3.605  -4.038
   29    HA   ILE   6           HA       ILE   6  -1.856  -2.792  -6.502
   30    HB   ILE   6           HB       ILE   6  -0.402  -2.915  -3.859
   31   HG12  ILE   6          2HG1      ILE   6  -0.996  -0.723  -5.837
   32   HG13  ILE   6          3HG1      ILE   6  -1.331  -0.758  -4.109
   33   HG21  ILE   6          1HG2      ILE   6   0.813  -2.501  -6.584
   34   HG22  ILE   6          2HG2      ILE   6   1.652  -2.683  -5.044
   35   HG23  ILE   6          3HG2      ILE   6   0.793  -4.052  -5.747
   36   HD11  ILE   6          1HD1      ILE   6   0.537   0.742  -4.806
   37   HD12  ILE   6          2HD1      ILE   6   0.963  -0.454  -3.583
   38   HD13  ILE   6          3HD1      ILE   6   1.444  -0.700  -5.261
   39    H    CYS   7           HN       CYS   7  -1.067  -4.879  -3.719
   40    HA   CYS   7           HA       CYS   7  -0.367  -7.047  -5.498
   41    HB2  CYS   7          2HB       CYS   7   0.374  -8.205  -3.525
   42    HB3  CYS   7          3HB       CYS   7   0.914  -6.533  -3.410
   43    H    MET   8           HN       MET   8  -3.032  -6.136  -3.443
   44    HA   MET   8           HA       MET   8  -5.040  -7.110  -2.976
   45    HB2  MET   8          2HB       MET   8  -5.001  -8.641  -5.518
   46    HB3  MET   8          3HB       MET   8  -6.260  -7.619  -4.840
   47    HG2  MET   8          2HG       MET   8  -4.384  -5.767  -5.378
   48    HG3  MET   8          3HG       MET   8  -4.040  -6.946  -6.642
   49    HE1  MET   8          1HE       MET   8  -5.033  -4.673  -8.584
   50    HE2  MET   8          2HE       MET   8  -6.227  -3.700  -7.724
   51    HE3  MET   8          3HE       MET   8  -4.687  -4.090  -6.956
   52    H    ASP   9           HN       ASP   9  -2.974  -8.474  -1.797
   53    HA   ASP   9           HA       ASP   9  -4.112 -11.134  -1.614
   54    HB2  ASP   9          2HB       ASP   9  -2.247 -11.135  -3.391
   55    HB3  ASP   9          3HB       ASP   9  -1.139 -10.916  -2.039
   56    H    GLY  10           HN       GLY  10  -4.002  -8.849   0.128
   57    HA2  GLY  10          1HA       GLY  10  -3.048 -10.166   2.495
   58    HA3  GLY  10          2HA       GLY  10  -2.064  -8.779   2.055
   59    H    ARG  11           HN       ARG  11  -5.406  -8.661   1.246
   60    HA   ARG  11           HA       ARG  11  -7.086  -7.280   1.921
   61    HB2  ARG  11          2HB       ARG  11  -5.941  -8.307   4.488
   62    HB3  ARG  11          3HB       ARG  11  -7.185  -7.065   4.541
   63    HG2  ARG  11          2HG       ARG  11  -8.775  -8.564   4.191
   64    HG3  ARG  11          3HG       ARG  11  -7.961  -9.164   2.744
   65    HD2  ARG  11          2HD       ARG  11  -6.932 -10.863   3.859
   66    HD3  ARG  11          3HD       ARG  11  -6.841  -9.960   5.370
   67    HE   ARG  11           HE       ARG  11  -9.528 -10.526   4.848
   68   HH11  ARG  11          1HH1      ARG  11  -6.577 -12.192   5.644
   69   HH12  ARG  11          2HH1      ARG  11  -7.378 -13.492   6.463
   70   HH21  ARG  11          1HH2      ARG  11 -10.595 -12.232   5.923
   71   HH22  ARG  11          2HH2      ARG  11  -9.663 -13.513   6.620
   72    H    ALA  12           HN       ALA  12  -7.489  -5.334   3.641
   73    HA   ALA  12           HA       ALA  12  -5.278  -3.454   3.143
   74    HB1  ALA  12          1HB       ALA  12  -8.225  -2.917   3.488
   75    HB2  ALA  12          2HB       ALA  12  -6.986  -1.678   3.276
   76    HB3  ALA  12          3HB       ALA  12  -7.306  -2.836   1.984
   77    H    ASP  13           HN       ASP  13  -4.071  -3.188   4.904
   78    HA   ASP  13           HA       ASP  13  -5.287  -3.360   7.552
   79    HB2  ASP  13          2HB       ASP  13  -3.077  -4.501   6.868
   80    HB3  ASP  13          3HB       ASP  13  -2.365  -2.893   6.992
   81    H    LEU  14           HN       LEU  14  -4.346  -1.013   5.283
   82    HA   LEU  14           HA       LEU  14  -4.885   1.100   7.213
   83    HB2  LEU  14          2HB       LEU  14  -2.271   0.460   6.440
   84    HB3  LEU  14          3HB       LEU  14  -2.696   1.904   5.523
   85    HG   LEU  14           HG       LEU  14  -3.162   1.850   8.474
   86   HD11  LEU  14          1HD1      LEU  14  -0.696   1.195   7.513
   87   HD12  LEU  14          2HD1      LEU  14  -1.006   1.988   9.057
   88   HD13  LEU  14          3HD1      LEU  14  -0.584   2.951   7.641
   89   HD21  LEU  14          1HD2      LEU  14  -2.749   4.235   8.245
   90   HD22  LEU  14          2HD2      LEU  14  -4.002   3.712   7.120
   91   HD23  LEU  14          3HD2      LEU  14  -2.366   4.021   6.536
   92    H    ILE  15           HN       ILE  15  -6.216   2.558   6.363
   93    HA   ILE  15           HA       ILE  15  -6.490   2.646   3.434
   94    HB   ILE  15           HB       ILE  15  -8.533   3.601   5.432
   95   HG12  ILE  15          2HG1      ILE  15  -8.782   1.001   3.964
   96   HG13  ILE  15          3HG1      ILE  15  -7.853   1.064   5.457
   97   HG21  ILE  15          1HG2      ILE  15  -9.342   2.650   2.776
   98   HG22  ILE  15          2HG2      ILE  15  -9.853   4.076   3.677
   99   HG23  ILE  15          3HG2      ILE  15  -8.340   4.101   2.771
  100   HD11  ILE  15          1HD1      ILE  15 -10.664   2.087   5.304
  101   HD12  ILE  15          2HD1      ILE  15 -10.296   0.391   5.617
  102   HD13  ILE  15          3HD1      ILE  15  -9.727   1.636   6.728
  103    H    LEU  16           HN       LEU  16  -5.130   4.243   2.800
  104    HA   LEU  16           HA       LEU  16  -4.522   6.584   4.179
  105    HB2  LEU  16          2HB       LEU  16  -4.453   5.861   1.270
  106    HB3  LEU  16          3HB       LEU  16  -3.985   7.467   1.825
  107    HG   LEU  16           HG       LEU  16  -2.644   4.839   2.422
  108   HD11  LEU  16          1HD1      LEU  16  -1.378   7.326   1.345
  109   HD12  LEU  16          2HD1      LEU  16  -2.237   6.219   0.277
  110   HD13  LEU  16          3HD1      LEU  16  -0.849   5.650   1.202
  111   HD21  LEU  16          1HD2      LEU  16  -2.566   5.931   4.495
  112   HD22  LEU  16          2HD2      LEU  16  -2.338   7.515   3.752
  113   HD23  LEU  16          3HD2      LEU  16  -1.032   6.329   3.721
  114    HA   PRO  17           HA       PRO  17  -7.966   9.266   3.728
  115    HB2  PRO  17          2HB       PRO  17  -6.750  11.674   3.423
  116    HB3  PRO  17          3HB       PRO  17  -6.789  10.806   4.961
  117    HG2  PRO  17          2HG       PRO  17  -4.599  10.957   2.927
  118    HG3  PRO  17          3HG       PRO  17  -4.492  11.055   4.694
  119    HD2  PRO  17          2HD       PRO  17  -3.916   8.792   3.322
  120    HD3  PRO  17          3HD       PRO  17  -4.617   8.767   4.953
  121    H    CYS  18           HN       CYS  18  -6.044   8.472   1.175
  122    HA   CYS  18           HA       CYS  18  -7.379  10.303  -0.696
  123    HB2  CYS  18          2HB       CYS  18  -5.673   9.574  -2.328
  124    HB3  CYS  18          3HB       CYS  18  -4.950  10.268  -0.881
  125    H    ALA  19           HN       ALA  19  -7.949   7.412   0.635
  126    HA   ALA  19           HA       ALA  19  -9.490   5.801   0.099
  127    HB1  ALA  19          1HB       ALA  19 -10.947   6.097  -1.627
  128    HB2  ALA  19          2HB       ALA  19 -10.303   7.735  -1.512
  129    HB3  ALA  19          3HB       ALA  19  -9.691   6.632  -2.744
  130    H    HIS  20           HN       HIS  20  -6.624   5.540  -0.180
  131    HA   HIS  20           HA       HIS  20  -6.569   3.320  -2.109
  132    HB2  HIS  20          2HB       HIS  20  -4.429   5.406  -1.661
  133    HB3  HIS  20          3HB       HIS  20  -4.154   3.901  -2.532
  134    HD2  HIS  20          2HD       HIS  20  -6.985   4.044  -4.313
  135    HE1  HIS  20          1HE       HIS  20  -5.263   7.640  -5.762
  136    HE2  HIS  20          2HE       HIS  20  -7.051   5.902  -6.110
  137    H    SER  21           HN       SER  21  -6.523   1.564  -0.855
  138    HA   SER  21           HA       SER  21  -5.249   1.550   1.722
  139    HB2  SER  21          2HB       SER  21  -6.836  -0.018   1.983
  140    HB3  SER  21          3HB       SER  21  -7.070  -0.161   0.240
  141    HG   SER  21           HG       SER  21  -6.063  -1.987   0.384
  142    H    PHE  22           HN       PHE  22  -3.626  -0.074   2.334
  143    HA   PHE  22           HA       PHE  22  -1.983  -1.254   0.301
  144    HB2  PHE  22          2HB       PHE  22  -0.839   1.047   1.898
  145    HB3  PHE  22          3HB       PHE  22   0.055   0.019   0.785
  146    HD1  PHE  22          1HD       PHE  22  -1.923   2.962   1.145
  147    HD2  PHE  22          2HD       PHE  22  -0.643   0.030  -1.661
  148    HE1  PHE  22          1HE       PHE  22  -2.479   4.491  -0.700
  149    HE2  PHE  22          2HE       PHE  22  -1.197   1.554  -3.511
  150    HZ   PHE  22           HZ       PHE  22  -2.116   3.788  -3.033
  151    H    CYS  23           HN       CYS  23  -2.070  -3.176   1.354
  152    HA   CYS  23           HA       CYS  23  -2.067  -3.731   4.024
  153    HB2  CYS  23          2HB       CYS  23  -1.371  -5.933   3.495
  154    HB3  CYS  23          3HB       CYS  23  -2.243  -5.360   2.076
  155    H    GLN  24           HN       GLN  24  -0.564  -4.042   5.637
  156    HA   GLN  24           HA       GLN  24   1.523  -2.385   5.982
  157    HB2  GLN  24          2HB       GLN  24   0.650  -3.923   7.712
  158    HB3  GLN  24          3HB       GLN  24   1.491  -5.256   6.929
  159    HG2  GLN  24          2HG       GLN  24   2.848  -4.625   8.727
  160    HG3  GLN  24          3HG       GLN  24   3.623  -3.951   7.295
  161   HE21  GLN  24          1HE2      GLN  24   4.574  -2.147   7.944
  162   HE22  GLN  24          2HE2      GLN  24   3.818  -0.874   8.834
  163    H    LYS  25           HN       LYS  25   1.865  -5.687   4.685
  164    HA   LYS  25           HA       LYS  25   4.514  -5.885   4.234
  165    HB2  LYS  25          2HB       LYS  25   2.152  -7.008   3.047
  166    HB3  LYS  25          3HB       LYS  25   3.356  -6.721   1.797
  167    HG2  LYS  25          2HG       LYS  25   4.342  -8.610   2.384
  168    HG3  LYS  25          3HG       LYS  25   4.739  -7.876   3.940
  169    HD2  LYS  25          2HD       LYS  25   2.622  -8.656   4.864
  170    HD3  LYS  25          3HD       LYS  25   2.184  -9.352   3.302
  171    HE2  LYS  25          2HE       LYS  25   4.728 -10.365   3.940
  172    HE3  LYS  25          3HE       LYS  25   3.768 -10.474   5.415
  173    HZ1  LYS  25          1HZ       LYS  25   2.023 -11.575   4.047
  174    HZ2  LYS  25          2HZ       LYS  25   3.453 -12.467   4.195
  175    HZ3  LYS  25          3HZ       LYS  25   3.123 -11.632   2.761
  176    H    CYS  26           HN       CYS  26   2.380  -4.644   1.658
  177    HA   CYS  26           HA       CYS  26   4.428  -3.574   0.088
  178    HB2  CYS  26          2HB       CYS  26   1.503  -2.846   0.283
  179    HB3  CYS  26          3HB       CYS  26   2.584  -2.188  -0.940
  180    H    ILE  27           HN       ILE  27   2.675  -2.236   2.804
  181    HA   ILE  27           HA       ILE  27   3.455   0.463   2.457
  182    HB   ILE  27           HB       ILE  27   2.065  -1.089   4.474
  183   HG12  ILE  27          2HG1      ILE  27   2.090   1.852   3.759
  184   HG13  ILE  27          3HG1      ILE  27   1.019   0.630   3.081
  185   HG21  ILE  27          1HG2      ILE  27   3.934  -0.641   5.901
  186   HG22  ILE  27          2HG2      ILE  27   3.964   1.052   5.413
  187   HG23  ILE  27          3HG2      ILE  27   2.616   0.434   6.369
  188   HD11  ILE  27          1HD1      ILE  27   0.402   0.293   5.630
  189   HD12  ILE  27          2HD1      ILE  27   0.946   1.969   5.718
  190   HD13  ILE  27          3HD1      ILE  27  -0.368   1.524   4.630
  191    H    ASP  28           HN       ASP  28   5.017  -2.314   3.855
  192    HA   ASP  28           HA       ASP  28   7.056  -0.772   5.198
  193    HB2  ASP  28          2HB       ASP  28   6.087  -3.219   5.687
  194    HB3  ASP  28          3HB       ASP  28   7.447  -3.670   4.663
  195    H    LYS  29           HN       LYS  29   6.542  -2.083   2.070
  196    HA   LYS  29           HA       LYS  29   9.378  -1.980   1.380
  197    HB2  LYS  29          2HB       LYS  29   8.182  -3.897   0.541
  198    HB3  LYS  29          3HB       LYS  29   6.943  -2.873  -0.171
  199    HG2  LYS  29          2HG       LYS  29   8.079  -2.836  -2.065
  200    HG3  LYS  29          3HG       LYS  29   9.424  -2.045  -1.238
  201    HD2  LYS  29          2HD       LYS  29  10.112  -4.390  -0.490
  202    HD3  LYS  29          3HD       LYS  29   8.976  -4.981  -1.705
  203    HE2  LYS  29          2HE       LYS  29  10.458  -4.629  -3.323
  204    HE3  LYS  29          3HE       LYS  29  10.639  -2.943  -2.842
  205    HZ1  LYS  29          1HZ       LYS  29  12.212  -5.286  -1.989
  206    HZ2  LYS  29          2HZ       LYS  29  12.152  -3.899  -1.023
  207    HZ3  LYS  29          3HZ       LYS  29  12.757  -3.805  -2.600
  208    H    TRP  30           HN       TRP  30   6.522  -0.951  -0.467
  209    HA   TRP  30           HA       TRP  30   7.972   1.262  -1.587
  210    HB2  TRP  30          2HB       TRP  30   5.002   0.879  -1.843
  211    HB3  TRP  30          3HB       TRP  30   6.130   1.576  -3.002
  212    HD1  TRP  30          1HD       TRP  30   4.827  -1.790  -1.745
  213    HE1  TRP  30          1HE       TRP  30   5.513  -3.619  -3.421
  214    HE3  TRP  30          3HE       TRP  30   7.892   0.979  -4.756
  215    HZ2  TRP  30          2HZ       TRP  30   7.138  -3.856  -5.717
  216    HZ3  TRP  30          3HZ       TRP  30   8.975  -0.123  -6.670
  217    HH2  TRP  30          2HH       TRP  30   8.604  -2.491  -7.139
  218    H    SER  31           HN       SER  31   7.498   3.470  -1.349
  219    HA   SER  31           HA       SER  31   7.152   5.345  -0.100
  220    HB2  SER  31          2HB       SER  31   4.618   3.950  -0.328
  221    HB3  SER  31          3HB       SER  31   4.690   4.905   1.152
  222    HG   SER  31           HG       SER  31   5.094   6.725  -0.059
  223    H    ASP  32           HN       ASP  32   8.866   4.820   1.362
  224    HA   ASP  32           HA       ASP  32   7.909   4.008   4.030
  225    HB2  ASP  32          2HB       ASP  32   9.715   2.613   2.605
  226    HB3  ASP  32          3HB       ASP  32  10.798   3.751   3.402
  227    H    ARG  33           HN       ARG  33   9.675   6.307   2.133
  228    HA   ARG  33           HA       ARG  33  10.945   7.657   4.300
  229    HB2  ARG  33          2HB       ARG  33  10.385   8.397   1.435
  230    HB3  ARG  33          3HB       ARG  33  11.140   9.526   2.552
  231    HG2  ARG  33          2HG       ARG  33  13.079   8.644   1.934
  232    HG3  ARG  33          3HG       ARG  33  12.619   7.214   2.860
  233    HD2  ARG  33          2HD       ARG  33  11.969   6.044   0.987
  234    HD3  ARG  33          3HD       ARG  33  11.645   7.507   0.058
  235    HE   ARG  33           HE       ARG  33  14.098   6.073   0.177
  236   HH11  ARG  33          1HH1      ARG  33  12.760   9.275  -0.108
  237   HH12  ARG  33          2HH1      ARG  33  14.130   9.911  -0.958
  238   HH21  ARG  33          1HH2      ARG  33  15.906   6.900  -0.942
  239   HH22  ARG  33          2HH2      ARG  33  15.918   8.559  -1.432
  240    H    HIS  34           HN       HIS  34   8.934   9.528   2.156
  241    HA   HIS  34           HA       HIS  34   7.828  11.023   4.306
  242    HB2  HIS  34          2HB       HIS  34   7.692  11.063   1.363
  243    HB3  HIS  34          3HB       HIS  34   6.252  11.671   2.175
  244    HD2  HIS  34          2HD       HIS  34  10.055  12.579   1.845
  245    HE1  HIS  34          1HE       HIS  34   7.977  15.896   3.481
  246    HE2  HIS  34          2HE       HIS  34  10.152  15.077   2.509
  247    H    ARG  35           HN       ARG  35   6.875   8.156   2.664
  248    HA   ARG  35           HA       ARG  35   5.222   6.664   3.245
  249    HB2  ARG  35          2HB       ARG  35   5.199   8.304   5.432
  250    HB3  ARG  35          3HB       ARG  35   3.571   8.527   4.809
  251    HG2  ARG  35          2HG       ARG  35   3.239   6.090   4.860
  252    HG3  ARG  35          3HG       ARG  35   4.852   5.907   5.553
  253    HD2  ARG  35          2HD       ARG  35   2.637   7.528   6.799
  254    HD3  ARG  35          3HD       ARG  35   3.009   5.859   7.230
  255    HE   ARG  35           HE       ARG  35   5.259   7.636   7.432
  256   HH11  ARG  35          1HH1      ARG  35   2.465   6.353   9.065
  257   HH12  ARG  35          2HH1      ARG  35   3.095   6.649  10.653
  258   HH21  ARG  35          1HH2      ARG  35   6.100   8.029   9.516
  259   HH22  ARG  35          2HH2      ARG  35   5.163   7.602  10.907
  260    H    ASN  36           HN       ASN  36   5.223   8.710   1.093
  261    HA   ASN  36           HA       ASN  36   2.633   9.696   0.638
  262    HB2  ASN  36          2HB       ASN  36   4.262   8.900  -1.714
  263    HB3  ASN  36          3HB       ASN  36   3.437  10.419  -1.378
  264   HD21  ASN  36          1HD2      ASN  36   4.479  12.010  -0.215
  265   HD22  ASN  36          2HD2      ASN  36   6.177  11.969   0.102
  266    H    CYS  37           HN       CYS  37   1.837   8.843  -1.842
  267    HA   CYS  37           HA       CYS  37   1.205   5.995  -1.424
  268    HB2  CYS  37          2HB       CYS  37  -0.836   6.981  -0.929
  269    HB3  CYS  37          3HB       CYS  37  -0.591   8.301  -2.066
  270    HA   PRO  38           HA       PRO  38   2.723   5.356  -5.505
  271    HB2  PRO  38          2HB       PRO  38   1.442   3.033  -6.082
  272    HB3  PRO  38          3HB       PRO  38   2.806   3.125  -4.962
  273    HG2  PRO  38          2HG       PRO  38  -0.127   3.026  -4.370
  274    HG3  PRO  38          3HG       PRO  38   1.205   2.168  -3.573
  275    HD2  PRO  38          2HD       PRO  38   0.075   4.395  -2.528
  276    HD3  PRO  38          3HD       PRO  38   1.791   4.000  -2.302
  277    H    ILE  39           HN       ILE  39  -0.758   4.635  -5.156
  278    HA   ILE  39           HA       ILE  39  -1.468   5.015  -7.823
  279    HB   ILE  39           HB       ILE  39  -3.222   5.644  -5.449
  280   HG12  ILE  39          2HG1      ILE  39  -1.934   3.282  -5.783
  281   HG13  ILE  39          3HG1      ILE  39  -3.516   3.435  -5.027
  282   HG21  ILE  39          1HG2      ILE  39  -4.960   4.713  -7.115
  283   HG22  ILE  39          2HG2      ILE  39  -4.364   6.357  -7.341
  284   HG23  ILE  39          3HG2      ILE  39  -3.733   5.047  -8.337
  285   HD11  ILE  39          1HD1      ILE  39  -3.396   3.094  -7.972
  286   HD12  ILE  39          2HD1      ILE  39  -3.064   1.698  -6.945
  287   HD13  ILE  39          3HD1      ILE  39  -4.607   2.544  -6.814
  288    H    CYS  40           HN       CYS  40  -0.774   7.322  -5.333
  289    HA   CYS  40           HA       CYS  40  -1.940   9.533  -6.823
  290    HB2  CYS  40          2HB       CYS  40  -0.482   9.399  -4.180
  291    HB3  CYS  40          3HB       CYS  40  -1.050  10.901  -4.902
  292    H    ARG  41           HN       ARG  41   1.181   8.120  -6.135
  293    HA   ARG  41           HA       ARG  41   2.827  10.250  -6.919
  294    HB2  ARG  41          2HB       ARG  41   3.930   8.520  -5.808
  295    HB3  ARG  41          3HB       ARG  41   3.188   7.276  -6.805
  296    HG2  ARG  41          2HG       ARG  41   4.803   7.380  -8.347
  297    HG3  ARG  41          3HG       ARG  41   4.875   9.143  -8.293
  298    HD2  ARG  41          2HD       ARG  41   6.603   9.133  -6.874
  299    HD3  ARG  41          3HD       ARG  41   5.873   7.887  -5.863
  300    HE   ARG  41           HE       ARG  41   7.930   7.507  -7.739
  301   HH11  ARG  41          1HH1      ARG  41   4.967   6.030  -6.663
  302   HH12  ARG  41          2HH1      ARG  41   5.459   4.425  -7.092
  303   HH21  ARG  41          1HH2      ARG  41   8.589   5.399  -8.308
  304   HH22  ARG  41          2HH2      ARG  41   7.520   4.067  -8.026
  305    H    LEU  42           HN       LEU  42   1.022   7.916  -8.766
  306    HA   LEU  42           HA       LEU  42   2.376   8.554 -11.248
  307    HB2  LEU  42          2HB       LEU  42  -0.148   6.956 -10.892
  308    HB3  LEU  42          3HB       LEU  42   0.959   6.933 -12.263
  309    HG   LEU  42           HG       LEU  42   1.869   6.046  -9.549
  310   HD11  LEU  42          1HD1      LEU  42   1.101   3.875 -11.298
  311   HD12  LEU  42          2HD1      LEU  42  -0.280   4.875 -10.850
  312   HD13  LEU  42          3HD1      LEU  42   0.721   4.143  -9.597
  313   HD21  LEU  42          1HD2      LEU  42   3.177   4.503 -11.218
  314   HD22  LEU  42          2HD2      LEU  42   3.703   6.160 -10.919
  315   HD23  LEU  42          3HD2      LEU  42   2.779   5.776 -12.373
  Start of MODEL   13
    1    H1   GLU   1           HN       GLU   1 -13.116  -0.533  -3.319
    2    HA   GLU   1           HA       GLU   1 -13.157  -0.119  -0.699
    3    HB2  GLU   1          2HB       GLU   1 -14.746  -2.120  -0.490
    4    HB3  GLU   1          3HB       GLU   1 -15.169  -0.863  -1.645
    5    HG2  GLU   1          2HG       GLU   1 -13.821  -2.450  -3.286
    6    HG3  GLU   1          3HG       GLU   1 -14.319  -3.662  -2.105
    7    H    GLU   2           HN       GLU   2 -11.750  -0.586   0.850
    8    HA   GLU   2           HA       GLU   2 -10.125  -1.669   2.044
    9    HB2  GLU   2          2HB       GLU   2 -12.540  -3.099   2.128
   10    HB3  GLU   2          3HB       GLU   2 -11.283  -4.312   1.935
   11    HG2  GLU   2          2HG       GLU   2 -11.955  -3.696   4.302
   12    HG3  GLU   2          3HG       GLU   2 -10.233  -3.711   3.932
   13    H    GLU   3           HN       GLU   3  -9.170  -4.247   2.072
   14    HA   GLU   3           HA       GLU   3  -7.605  -5.575   1.093
   15    HB2  GLU   3          2HB       GLU   3  -8.769  -5.088  -1.613
   16    HB3  GLU   3          3HB       GLU   3  -8.185  -6.586  -0.901
   17    HG2  GLU   3          2HG       GLU   3 -10.152  -6.898   0.332
   18    HG3  GLU   3          3HG       GLU   3 -10.672  -5.233   0.085
   19    H    CYS   4           HN       CYS   4  -5.652  -5.529  -0.095
   20    HA   CYS   4           HA       CYS   4  -4.440  -3.016  -0.301
   21    HB2  CYS   4          2HB       CYS   4  -3.291  -5.250   0.011
   22    HB3  CYS   4          3HB       CYS   4  -3.512  -5.518  -1.716
   23    H    CYS   5           HN       CYS   5  -4.070  -1.628  -1.960
   24    HA   CYS   5           HA       CYS   5  -5.573  -2.125  -4.425
   25    HB2  CYS   5          2HB       CYS   5  -5.345   0.120  -2.770
   26    HB3  CYS   5          3HB       CYS   5  -4.422   0.525  -4.212
   27    HG   CYS   5           HG       CYS   5  -6.835  -0.495  -5.736
   28    H    ILE   6           HN       ILE   6  -3.028  -3.402  -3.967
   29    HA   ILE   6           HA       ILE   6  -1.669  -2.474  -6.367
   30    HB   ILE   6           HB       ILE   6  -0.352  -2.597  -3.665
   31   HG12  ILE   6          2HG1      ILE   6  -0.461  -0.526  -5.866
   32   HG13  ILE   6          3HG1      ILE   6  -1.228  -0.429  -4.284
   33   HG21  ILE   6          1HG2      ILE   6   1.062  -3.915  -5.061
   34   HG22  ILE   6          2HG2      ILE   6   0.942  -2.749  -6.378
   35   HG23  ILE   6          3HG2      ILE   6   1.808  -2.325  -4.900
   36   HD11  ILE   6          1HD1      ILE   6   1.398  -0.796  -3.633
   37   HD12  ILE   6          2HD1      ILE   6   1.497   0.197  -5.087
   38   HD13  ILE   6          3HD1      ILE   6   0.561   0.755  -3.700
   39    H    CYS   7           HN       CYS   7  -1.355  -4.768  -3.652
   40    HA   CYS   7           HA       CYS   7  -0.558  -6.844  -5.564
   41    HB2  CYS   7          2HB       CYS   7   0.425  -8.008  -3.772
   42    HB3  CYS   7          3HB       CYS   7   0.788  -6.318  -3.441
   43    H    MET   8           HN       MET   8  -3.159  -5.842  -3.555
   44    HA   MET   8           HA       MET   8  -5.115  -6.846  -2.895
   45    HB2  MET   8          2HB       MET   8  -5.157  -8.195  -5.565
   46    HB3  MET   8          3HB       MET   8  -6.462  -7.391  -4.704
   47    HG2  MET   8          2HG       MET   8  -5.582  -5.238  -5.234
   48    HG3  MET   8          3HG       MET   8  -4.114  -5.948  -5.903
   49    HE1  MET   8          1HE       MET   8  -3.629  -6.169  -7.897
   50    HE2  MET   8          2HE       MET   8  -4.490  -7.446  -8.756
   51    HE3  MET   8          3HE       MET   8  -4.600  -5.776  -9.317
   52    H    ASP   9           HN       ASP   9  -3.383  -8.255  -1.612
   53    HA   ASP   9           HA       ASP   9  -4.446 -10.915  -1.619
   54    HB2  ASP   9          2HB       ASP   9  -2.080 -10.435  -3.133
   55    HB3  ASP   9          3HB       ASP   9  -1.631 -11.366  -1.707
   56    H    GLY  10           HN       GLY  10  -3.947  -8.490   0.105
   57    HA2  GLY  10          1HA       GLY  10  -3.104  -9.988   2.455
   58    HA3  GLY  10          2HA       GLY  10  -2.110  -8.601   2.036
   59    H    ARG  11           HN       ARG  11  -5.519  -8.537   1.395
   60    HA   ARG  11           HA       ARG  11  -7.190  -7.205   2.177
   61    HB2  ARG  11          2HB       ARG  11  -5.783  -7.737   4.800
   62    HB3  ARG  11          3HB       ARG  11  -7.379  -7.014   4.651
   63    HG2  ARG  11          2HG       ARG  11  -6.552  -9.808   4.457
   64    HG3  ARG  11          3HG       ARG  11  -8.113  -9.110   4.893
   65    HD2  ARG  11          2HD       ARG  11  -8.532  -8.663   2.493
   66    HD3  ARG  11          3HD       ARG  11  -7.016  -9.479   2.109
   67    HE   ARG  11           HE       ARG  11  -8.695 -11.153   3.664
   68   HH11  ARG  11          1HH1      ARG  11  -8.286  -9.882   0.448
   69   HH12  ARG  11          2HH1      ARG  11  -9.074 -11.220  -0.322
   70   HH21  ARG  11          1HH2      ARG  11  -9.733 -12.919   2.662
   71   HH22  ARG  11          2HH2      ARG  11  -9.898 -12.946   0.939
   72    H    ALA  12           HN       ALA  12  -7.527  -5.193   3.816
   73    HA   ALA  12           HA       ALA  12  -5.404  -3.279   3.101
   74    HB1  ALA  12          1HB       ALA  12  -7.330  -2.598   1.967
   75    HB2  ALA  12          2HB       ALA  12  -8.377  -2.961   3.340
   76    HB3  ALA  12          3HB       ALA  12  -7.292  -1.573   3.402
   77    H    ASP  13           HN       ASP  13  -4.193  -3.695   4.999
   78    HA   ASP  13           HA       ASP  13  -5.300  -3.485   7.608
   79    HB2  ASP  13          2HB       ASP  13  -2.806  -4.182   6.481
   80    HB3  ASP  13          3HB       ASP  13  -2.498  -2.837   7.575
   81    H    LEU  14           HN       LEU  14  -4.152  -1.183   5.298
   82    HA   LEU  14           HA       LEU  14  -4.794   0.975   7.169
   83    HB2  LEU  14          2HB       LEU  14  -2.176   0.306   6.431
   84    HB3  LEU  14          3HB       LEU  14  -2.584   1.739   5.491
   85    HG   LEU  14           HG       LEU  14  -2.981   1.654   8.465
   86   HD11  LEU  14          1HD1      LEU  14  -0.568   1.119   7.573
   87   HD12  LEU  14          2HD1      LEU  14  -0.816   2.243   8.908
   88   HD13  LEU  14          3HD1      LEU  14  -0.531   2.858   7.281
   89   HD21  LEU  14          1HD2      LEU  14  -2.570   4.133   8.106
   90   HD22  LEU  14          2HD2      LEU  14  -4.081   3.482   7.471
   91   HD23  LEU  14          3HD2      LEU  14  -2.732   3.805   6.381
   92    H    ILE  15           HN       ILE  15  -6.046   2.487   6.276
   93    HA   ILE  15           HA       ILE  15  -6.284   2.520   3.339
   94    HB   ILE  15           HB       ILE  15  -8.379   3.340   5.354
   95   HG12  ILE  15          2HG1      ILE  15  -9.284   1.151   3.862
   96   HG13  ILE  15          3HG1      ILE  15  -7.630   0.744   4.303
   97   HG21  ILE  15          1HG2      ILE  15  -8.447   4.502   3.160
   98   HG22  ILE  15          2HG2      ILE  15  -8.624   2.932   2.379
   99   HG23  ILE  15          3HG2      ILE  15  -9.872   3.514   3.479
  100   HD11  ILE  15          1HD1      ILE  15  -9.948   0.545   5.875
  101   HD12  ILE  15          2HD1      ILE  15  -8.281   0.214   6.344
  102   HD13  ILE  15          3HD1      ILE  15  -8.960   1.824   6.580
  103    H    LEU  16           HN       LEU  16  -4.903   4.129   2.764
  104    HA   LEU  16           HA       LEU  16  -4.375   6.481   4.149
  105    HB2  LEU  16          2HB       LEU  16  -4.157   5.665   1.287
  106    HB3  LEU  16          3HB       LEU  16  -3.875   7.347   1.730
  107    HG   LEU  16           HG       LEU  16  -2.362   5.039   2.937
  108   HD11  LEU  16          1HD1      LEU  16  -1.225   4.849   1.044
  109   HD12  LEU  16          2HD1      LEU  16  -0.702   6.522   1.229
  110   HD13  LEU  16          3HD1      LEU  16  -2.157   6.151   0.305
  111   HD21  LEU  16          1HD2      LEU  16  -1.900   8.019   2.895
  112   HD22  LEU  16          2HD2      LEU  16  -0.764   6.829   3.530
  113   HD23  LEU  16          3HD2      LEU  16  -2.342   7.035   4.291
  114    HA   PRO  17           HA       PRO  17  -7.813   9.148   3.585
  115    HB2  PRO  17          2HB       PRO  17  -6.613  11.554   3.213
  116    HB3  PRO  17          3HB       PRO  17  -6.651  10.731   4.777
  117    HG2  PRO  17          2HG       PRO  17  -4.455  10.838   2.745
  118    HG3  PRO  17          3HG       PRO  17  -4.355  10.989   4.509
  119    HD2  PRO  17          2HD       PRO  17  -3.758   8.691   3.207
  120    HD3  PRO  17          3HD       PRO  17  -4.465   8.709   4.836
  121    H    CYS  18           HN       CYS  18  -5.878   8.291   1.064
  122    HA   CYS  18           HA       CYS  18  -7.196  10.068  -0.866
  123    HB2  CYS  18          2HB       CYS  18  -5.506   9.232  -2.474
  124    HB3  CYS  18          3HB       CYS  18  -4.778   9.997  -1.065
  125    H    ALA  19           HN       ALA  19  -7.777   7.206   0.553
  126    HA   ALA  19           HA       ALA  19  -9.323   5.583   0.080
  127    HB1  ALA  19          1HB       ALA  19 -10.795   5.797  -1.687
  128    HB2  ALA  19          2HB       ALA  19 -10.276   7.464  -1.436
  129    HB3  ALA  19          3HB       ALA  19  -9.581   6.515  -2.749
  130    H    HIS  20           HN       HIS  20  -6.511   5.236  -0.223
  131    HA   HIS  20           HA       HIS  20  -6.511   3.042  -2.178
  132    HB2  HIS  20          2HB       HIS  20  -4.379   5.143  -1.793
  133    HB3  HIS  20          3HB       HIS  20  -4.064   3.607  -2.596
  134    HD2  HIS  20          2HD       HIS  20  -6.707   3.491  -4.521
  135    HE1  HIS  20          1HE       HIS  20  -5.359   7.268  -5.902
  136    HE2  HIS  20          2HE       HIS  20  -6.901   5.325  -6.335
  137    H    SER  21           HN       SER  21  -6.574   1.341  -0.822
  138    HA   SER  21           HA       SER  21  -5.226   1.288   1.693
  139    HB2  SER  21          2HB       SER  21  -5.800  -1.356   1.024
  140    HB3  SER  21          3HB       SER  21  -6.826  -0.268   1.960
  141    HG   SER  21           HG       SER  21  -8.147  -0.740   0.355
  142    H    PHE  22           HN       PHE  22  -3.573  -0.269   2.303
  143    HA   PHE  22           HA       PHE  22  -1.955  -1.463   0.242
  144    HB2  PHE  22          2HB       PHE  22  -0.793   0.790   1.894
  145    HB3  PHE  22          3HB       PHE  22   0.086  -0.211   0.743
  146    HD1  PHE  22          1HD       PHE  22  -0.762  -0.173  -1.697
  147    HD2  PHE  22          2HD       PHE  22  -1.735   2.782   1.206
  148    HE1  PHE  22          1HE       PHE  22  -1.318   1.408  -3.499
  149    HE2  PHE  22          2HE       PHE  22  -2.293   4.369  -0.591
  150    HZ   PHE  22           HZ       PHE  22  -2.086   3.682  -2.947
  151    H    CYS  23           HN       CYS  23  -2.071  -3.406   1.261
  152    HA   CYS  23           HA       CYS  23  -2.096  -4.047   3.895
  153    HB2  CYS  23          2HB       CYS  23  -1.306  -6.213   3.321
  154    HB3  CYS  23          3HB       CYS  23  -2.174  -5.625   1.906
  155    H    GLN  24           HN       GLN  24  -0.646  -4.353   5.550
  156    HA   GLN  24           HA       GLN  24   1.372  -2.666   6.038
  157    HB2  GLN  24          2HB       GLN  24   0.435  -4.512   7.545
  158    HB3  GLN  24          3HB       GLN  24   1.658  -5.557   6.834
  159    HG2  GLN  24          2HG       GLN  24   2.376  -2.946   8.117
  160    HG3  GLN  24          3HG       GLN  24   2.189  -4.426   9.057
  161   HE21  GLN  24          1HE2      GLN  24   4.480  -2.568   8.048
  162   HE22  GLN  24          2HE2      GLN  24   5.691  -3.700   7.563
  163    H    LYS  25           HN       LYS  25   1.998  -5.937   4.755
  164    HA   LYS  25           HA       LYS  25   4.639  -5.925   4.316
  165    HB2  LYS  25          2HB       LYS  25   2.631  -6.763   2.215
  166    HB3  LYS  25          3HB       LYS  25   4.294  -7.321   2.342
  167    HG2  LYS  25          2HG       LYS  25   3.267  -7.907   4.820
  168    HG3  LYS  25          3HG       LYS  25   1.906  -8.220   3.740
  169    HD2  LYS  25          2HD       LYS  25   3.076  -9.845   2.542
  170    HD3  LYS  25          3HD       LYS  25   4.644  -9.273   3.116
  171    HE2  LYS  25          2HE       LYS  25   4.280 -10.173   5.278
  172    HE3  LYS  25          3HE       LYS  25   2.574 -10.469   4.943
  173    HZ1  LYS  25          1HZ       LYS  25   3.224 -12.523   4.439
  174    HZ2  LYS  25          2HZ       LYS  25   4.858 -12.098   4.351
  175    HZ3  LYS  25          3HZ       LYS  25   3.854 -11.876   3.008
  176    H    CYS  26           HN       CYS  26   2.459  -4.803   1.723
  177    HA   CYS  26           HA       CYS  26   4.391  -3.626   0.129
  178    HB2  CYS  26          2HB       CYS  26   1.473  -2.951   0.499
  179    HB3  CYS  26          3HB       CYS  26   2.478  -2.192  -0.731
  180    H    ILE  27           HN       ILE  27   2.439  -2.130   2.691
  181    HA   ILE  27           HA       ILE  27   3.334   0.484   2.455
  182    HB   ILE  27           HB       ILE  27   1.988  -1.086   4.491
  183   HG12  ILE  27          2HG1      ILE  27   1.943   1.898   4.039
  184   HG13  ILE  27          3HG1      ILE  27   1.088   0.766   2.996
  185   HG21  ILE  27          1HG2      ILE  27   2.566   0.446   6.376
  186   HG22  ILE  27          2HG2      ILE  27   3.871  -0.634   5.890
  187   HG23  ILE  27          3HG2      ILE  27   3.900   1.058   5.397
  188   HD11  ILE  27          1HD1      ILE  27   0.521   1.573   5.794
  189   HD12  ILE  27          2HD1      ILE  27  -0.578   1.341   4.434
  190   HD13  ILE  27          3HD1      ILE  27   0.084  -0.057   5.282
  191    H    ASP  28           HN       ASP  28   4.931  -2.303   3.788
  192    HA   ASP  28           HA       ASP  28   7.017  -0.727   5.047
  193    HB2  ASP  28          2HB       ASP  28   5.988  -3.168   5.635
  194    HB3  ASP  28          3HB       ASP  28   7.412  -3.636   4.710
  195    H    LYS  29           HN       LYS  29   6.511  -2.610   2.139
  196    HA   LYS  29           HA       LYS  29   9.257  -2.631   1.339
  197    HB2  LYS  29          2HB       LYS  29   7.141  -4.099   0.596
  198    HB3  LYS  29          3HB       LYS  29   7.107  -2.904  -0.694
  199    HG2  LYS  29          2HG       LYS  29   8.783  -3.898  -1.746
  200    HG3  LYS  29          3HG       LYS  29   9.785  -3.873  -0.293
  201    HD2  LYS  29          2HD       LYS  29   7.620  -5.912  -0.772
  202    HD3  LYS  29          3HD       LYS  29   9.302  -6.156  -1.250
  203    HE2  LYS  29          2HE       LYS  29   9.803  -6.813   0.811
  204    HE3  LYS  29          3HE       LYS  29   9.258  -5.263   1.449
  205    HZ1  LYS  29          1HZ       LYS  29   7.931  -7.829   1.454
  206    HZ2  LYS  29          2HZ       LYS  29   6.935  -6.531   1.022
  207    HZ3  LYS  29          3HZ       LYS  29   7.752  -6.514   2.504
  208    H    TRP  30           HN       TRP  30   6.533  -0.500   0.857
  209    HA   TRP  30           HA       TRP  30   8.082   1.133  -1.022
  210    HB2  TRP  30          2HB       TRP  30   5.172   0.917  -0.354
  211    HB3  TRP  30          3HB       TRP  30   5.785   2.417  -1.043
  212    HD1  TRP  30          1HD       TRP  30   4.462  -0.865  -2.052
  213    HE1  TRP  30          1HE       TRP  30   4.862  -1.278  -4.561
  214    HE3  TRP  30          3HE       TRP  30   7.805   2.892  -2.971
  215    HZ2  TRP  30          2HZ       TRP  30   6.391  -0.160  -6.652
  216    HZ3  TRP  30          3HZ       TRP  30   8.689   3.153  -5.253
  217    HH2  TRP  30          2HH       TRP  30   7.996   1.656  -7.054
  218    H    SER  31           HN       SER  31   9.217   1.274   1.377
  219    HA   SER  31           HA       SER  31   8.365   3.900   2.404
  220    HB2  SER  31          2HB       SER  31   7.940   1.881   3.947
  221    HB3  SER  31          3HB       SER  31   9.692   1.822   4.139
  222    HG   SER  31           HG       SER  31   7.928   3.929   4.827
  223    H    ASP  32           HN       ASP  32  10.352   3.137   0.360
  224    HA   ASP  32           HA       ASP  32  12.803   4.092   1.686
  225    HB2  ASP  32          2HB       ASP  32  12.895   1.833   0.566
  226    HB3  ASP  32          3HB       ASP  32  12.629   2.657  -0.968
  227    H    ARG  33           HN       ARG  33  10.441   5.593   0.525
  228    HA   ARG  33           HA       ARG  33  11.970   7.265  -1.360
  229    HB2  ARG  33          2HB       ARG  33   9.331   6.100  -1.586
  230    HB3  ARG  33          3HB       ARG  33   9.254   7.853  -1.707
  231    HG2  ARG  33          2HG       ARG  33  10.733   7.874  -3.563
  232    HG3  ARG  33          3HG       ARG  33  11.130   6.168  -3.343
  233    HD2  ARG  33          2HD       ARG  33   8.755   5.615  -3.819
  234    HD3  ARG  33          3HD       ARG  33   8.468   7.319  -4.171
  235    HE   ARG  33           HE       ARG  33  10.602   6.125  -5.701
  236   HH11  ARG  33          1HH1      ARG  33   7.188   6.790  -5.532
  237   HH12  ARG  33          2HH1      ARG  33   6.950   6.681  -7.244
  238   HH21  ARG  33          1HH2      ARG  33  10.300   5.978  -7.957
  239   HH22  ARG  33          2HH2      ARG  33   8.720   6.219  -8.622
  240    H    HIS  34           HN       HIS  34   8.866   7.887   0.209
  241    HA   HIS  34           HA       HIS  34  10.070   9.831   2.007
  242    HB2  HIS  34          2HB       HIS  34   8.303  10.544  -0.307
  243    HB3  HIS  34          3HB       HIS  34   8.241  11.505   1.168
  244    HD2  HIS  34          2HD       HIS  34  10.488  11.001  -1.928
  245    HE1  HIS  34          1HE       HIS  34  12.390  13.826   0.603
  246    HE2  HIS  34          2HE       HIS  34  12.342  12.789  -1.692
  247    H    ARG  35           HN       ARG  35   6.746  10.047   1.011
  248    HA   ARG  35           HA       ARG  35   5.655   8.224   2.886
  249    HB2  ARG  35          2HB       ARG  35   4.604  10.128   4.306
  250    HB3  ARG  35          3HB       ARG  35   6.243   9.600   4.662
  251    HG2  ARG  35          2HG       ARG  35   6.841  11.541   2.964
  252    HG3  ARG  35          3HG       ARG  35   5.276  12.151   3.505
  253    HD2  ARG  35          2HD       ARG  35   6.846  11.224   5.737
  254    HD3  ARG  35          3HD       ARG  35   7.742  12.415   4.795
  255    HE   ARG  35           HE       ARG  35   5.346  12.865   6.353
  256   HH11  ARG  35          1HH1      ARG  35   7.484  14.060   3.880
  257   HH12  ARG  35          2HH1      ARG  35   6.996  15.711   4.071
  258   HH21  ARG  35          1HH2      ARG  35   4.693  15.036   6.615
  259   HH22  ARG  35          2HH2      ARG  35   5.409  16.265   5.628
  260    H    ASN  36           HN       ASN  36   5.373   9.258   0.118
  261    HA   ASN  36           HA       ASN  36   2.565  10.138   0.207
  262    HB2  ASN  36          2HB       ASN  36   3.215  10.574  -2.356
  263    HB3  ASN  36          3HB       ASN  36   3.504  11.765  -1.091
  264   HD21  ASN  36          1HD2      ASN  36   5.132   8.832  -2.259
  265   HD22  ASN  36          2HD2      ASN  36   6.698   9.552  -2.395
  266    H    CYS  37           HN       CYS  37   1.023   9.109  -1.075
  267    HA   CYS  37           HA       CYS  37   1.353   6.320  -1.402
  268    HB2  CYS  37          2HB       CYS  37  -0.849   6.927  -0.994
  269    HB3  CYS  37          3HB       CYS  37  -0.786   8.293  -2.103
  270    HA   PRO  38           HA       PRO  38   3.154   6.053  -5.408
  271    HB2  PRO  38          2HB       PRO  38   2.330   3.555  -6.084
  272    HB3  PRO  38          3HB       PRO  38   3.603   3.859  -4.895
  273    HG2  PRO  38          2HG       PRO  38   0.709   3.233  -4.453
  274    HG3  PRO  38          3HG       PRO  38   2.132   2.605  -3.602
  275    HD2  PRO  38          2HD       PRO  38   0.578   4.575  -2.584
  276    HD3  PRO  38          3HD       PRO  38   2.324   4.480  -2.276
  277    H    ILE  39           HN       ILE  39  -0.159   4.726  -5.247
  278    HA   ILE  39           HA       ILE  39  -0.843   4.947  -7.908
  279    HB   ILE  39           HB       ILE  39  -2.537   5.228  -5.436
  280   HG12  ILE  39          2HG1      ILE  39  -2.263   3.040  -7.507
  281   HG13  ILE  39          3HG1      ILE  39  -1.560   3.019  -5.894
  282   HG21  ILE  39          1HG2      ILE  39  -3.377   5.329  -8.320
  283   HG22  ILE  39          2HG2      ILE  39  -4.479   4.867  -7.024
  284   HG23  ILE  39          3HG2      ILE  39  -3.749   6.473  -7.030
  285   HD11  ILE  39          1HD1      ILE  39  -4.136   3.414  -5.266
  286   HD12  ILE  39          2HD1      ILE  39  -4.319   2.505  -6.766
  287   HD13  ILE  39          3HD1      ILE  39  -3.399   1.820  -5.427
  288    H    CYS  40           HN       CYS  40  -1.879   7.301  -5.434
  289    HA   CYS  40           HA       CYS  40  -2.843   9.278  -7.022
  290    HB2  CYS  40          2HB       CYS  40  -1.200   9.557  -4.502
  291    HB3  CYS  40          3HB       CYS  40  -2.066  10.894  -5.251
  292    H    ARG  41           HN       ARG  41   0.529   8.506  -6.454
  293    HA   ARG  41           HA       ARG  41   1.592  10.847  -7.678
  294    HB2  ARG  41          2HB       ARG  41   2.678   8.991  -6.099
  295    HB3  ARG  41          3HB       ARG  41   3.158   8.316  -7.649
  296    HG2  ARG  41          2HG       ARG  41   3.669  11.198  -7.202
  297    HG3  ARG  41          3HG       ARG  41   4.666  10.041  -6.319
  298    HD2  ARG  41          2HD       ARG  41   4.994   8.904  -8.604
  299    HD3  ARG  41          3HD       ARG  41   4.387  10.416  -9.281
  300    HE   ARG  41           HE       ARG  41   6.447  11.300  -8.907
  301   HH11  ARG  41          1HH1      ARG  41   5.958   8.689  -6.657
  302   HH12  ARG  41          2HH1      ARG  41   7.539   8.821  -5.959
  303   HH21  ARG  41          1HH2      ARG  41   8.531  11.484  -7.996
  304   HH22  ARG  41          2HH2      ARG  41   9.001  10.411  -6.721
  305    H    LEU  42           HN       LEU  42   0.701   7.649  -8.827
  306    HA   LEU  42           HA       LEU  42   1.612   8.343 -11.528
  307    HB2  LEU  42          2HB       LEU  42   0.535   5.692 -10.606
  308    HB3  LEU  42          3HB       LEU  42   1.466   6.037 -12.063
  309    HG   LEU  42           HG       LEU  42   2.641   6.378  -9.319
  310   HD11  LEU  42          1HD1      LEU  42   2.474   3.881 -10.987
  311   HD12  LEU  42          2HD1      LEU  42   1.938   4.113  -9.323
  312   HD13  LEU  42          3HD1      LEU  42   3.660   4.117  -9.703
  313   HD21  LEU  42          1HD2      LEU  42   3.655   6.256 -12.125
  314   HD22  LEU  42          2HD2      LEU  42   4.699   5.760 -10.794
  315   HD23  LEU  42          3HD2      LEU  42   4.044   7.397 -10.838
  Start of MODEL   14
    1    H1   GLU   1           HN       GLU   1 -13.521  -2.733   5.210
    2    HA   GLU   1           HA       GLU   1 -13.942  -5.518   4.391
    3    HB2  GLU   1          2HB       GLU   1 -15.834  -4.312   3.015
    4    HB3  GLU   1          3HB       GLU   1 -16.047  -4.656   4.725
    5    HG2  GLU   1          2HG       GLU   1 -15.814  -2.454   5.340
    6    HG3  GLU   1          3HG       GLU   1 -14.901  -2.036   3.892
    7    H    GLU   2           HN       GLU   2 -11.568  -3.953   3.668
    8    HA   GLU   2           HA       GLU   2 -11.841  -4.160   0.749
    9    HB2  GLU   2          2HB       GLU   2 -11.637  -1.746   1.987
   10    HB3  GLU   2          3HB       GLU   2  -9.941  -2.121   1.713
   11    HG2  GLU   2          2HG       GLU   2 -11.061  -0.780  -0.081
   12    HG3  GLU   2          3HG       GLU   2 -10.245  -2.245  -0.623
   13    H    GLU   3           HN       GLU   3  -9.448  -3.934  -0.199
   14    HA   GLU   3           HA       GLU   3  -7.572  -5.438   1.469
   15    HB2  GLU   3          2HB       GLU   3  -7.950  -6.287  -1.377
   16    HB3  GLU   3          3HB       GLU   3  -7.273  -7.189  -0.030
   17    HG2  GLU   3          2HG       GLU   3  -9.240  -8.250  -0.064
   18    HG3  GLU   3          3HG       GLU   3  -9.804  -6.844   0.837
   19    H    CYS   4           HN       CYS   4  -5.395  -5.626   0.325
   20    HA   CYS   4           HA       CYS   4  -4.356  -3.112  -0.170
   21    HB2  CYS   4          2HB       CYS   4  -3.062  -5.189   0.417
   22    HB3  CYS   4          3HB       CYS   4  -3.222  -5.691  -1.263
   23    H    CYS   5           HN       CYS   5  -4.122  -1.828  -1.910
   24    HA   CYS   5           HA       CYS   5  -5.594  -2.508  -4.299
   25    HB2  CYS   5          2HB       CYS   5  -5.489  -0.206  -3.133
   26    HB3  CYS   5          3HB       CYS   5  -3.931  -0.027  -3.931
   27    HG   CYS   5           HG       CYS   5  -6.987  -0.339  -5.434
   28    H    ILE   6           HN       ILE   6  -2.638  -3.353  -3.303
   29    HA   ILE   6           HA       ILE   6  -1.451  -3.153  -5.994
   30    HB   ILE   6           HB       ILE   6  -0.014  -3.512  -3.363
   31   HG12  ILE   6          2HG1      ILE   6  -0.269  -1.113  -5.187
   32   HG13  ILE   6          3HG1      ILE   6  -0.909  -1.262  -3.554
   33   HG21  ILE   6          1HG2      ILE   6   1.800  -4.069  -4.517
   34   HG22  ILE   6          2HG2      ILE   6   0.790  -4.172  -5.959
   35   HG23  ILE   6          3HG2      ILE   6   1.621  -2.666  -5.569
   36   HD11  ILE   6          1HD1      ILE   6   1.994  -1.661  -3.854
   37   HD12  ILE   6          2HD1      ILE   6   1.387  -0.029  -4.136
   38   HD13  ILE   6          3HD1      ILE   6   1.080  -0.830  -2.595
   39    H    CYS   7           HN       CYS   7  -1.504  -5.260  -3.116
   40    HA   CYS   7           HA       CYS   7  -0.636  -7.552  -4.604
   41    HB2  CYS   7          2HB       CYS   7  -1.835  -7.412  -1.830
   42    HB3  CYS   7          3HB       CYS   7  -0.963  -8.778  -2.518
   43    H    MET   8           HN       MET   8  -3.700  -6.201  -3.621
   44    HA   MET   8           HA       MET   8  -5.860  -6.937  -3.848
   45    HB2  MET   8          2HB       MET   8  -4.612  -7.667  -6.498
   46    HB3  MET   8          3HB       MET   8  -6.345  -7.724  -6.199
   47    HG2  MET   8          2HG       MET   8  -5.494  -5.192  -5.351
   48    HG3  MET   8          3HG       MET   8  -4.690  -5.494  -6.890
   49    HE1  MET   8          1HE       MET   8  -5.394  -5.441  -8.845
   50    HE2  MET   8          2HE       MET   8  -6.962  -5.995  -9.433
   51    HE3  MET   8          3HE       MET   8  -6.662  -4.271  -9.214
   52    H    ASP   9           HN       ASP   9  -4.545  -8.742  -2.311
   53    HA   ASP   9           HA       ASP   9  -5.926 -11.202  -2.997
   54    HB2  ASP   9          2HB       ASP   9  -4.044 -12.108  -3.864
   55    HB3  ASP   9          3HB       ASP   9  -3.004 -10.896  -3.120
   56    H    GLY  10           HN       GLY  10  -3.746  -9.585  -0.705
   57    HA2  GLY  10          1HA       GLY  10  -4.641 -11.191   1.511
   58    HA3  GLY  10          2HA       GLY  10  -3.571  -9.800   1.594
   59    H    ARG  11           HN       ARG  11  -4.352  -7.964   2.414
   60    HA   ARG  11           HA       ARG  11  -7.170  -7.327   2.237
   61    HB2  ARG  11          2HB       ARG  11  -7.615  -7.232   4.572
   62    HB3  ARG  11          3HB       ARG  11  -6.915  -8.815   4.258
   63    HG2  ARG  11          2HG       ARG  11  -5.173  -6.550   5.133
   64    HG3  ARG  11          3HG       ARG  11  -6.131  -7.450   6.311
   65    HD2  ARG  11          2HD       ARG  11  -4.667  -9.147   4.434
   66    HD3  ARG  11          3HD       ARG  11  -3.626  -8.133   5.433
   67    HE   ARG  11           HE       ARG  11  -4.946 -10.452   6.270
   68   HH11  ARG  11          1HH1      ARG  11  -4.388  -7.187   7.339
   69   HH12  ARG  11          2HH1      ARG  11  -4.488  -7.582   9.023
   70   HH21  ARG  11          1HH2      ARG  11  -5.079 -10.985   8.484
   71   HH22  ARG  11          2HH2      ARG  11  -4.880  -9.742   9.673
   72    H    ALA  12           HN       ALA  12  -7.216  -5.356   4.233
   73    HA   ALA  12           HA       ALA  12  -5.135  -3.486   3.305
   74    HB1  ALA  12          1HB       ALA  12  -8.060  -2.925   3.771
   75    HB2  ALA  12          2HB       ALA  12  -6.838  -1.687   3.472
   76    HB3  ALA  12          3HB       ALA  12  -7.198  -2.888   2.232
   77    H    ASP  13           HN       ASP  13  -3.810  -3.197   4.982
   78    HA   ASP  13           HA       ASP  13  -4.793  -3.267   7.705
   79    HB2  ASP  13          2HB       ASP  13  -2.150  -3.310   6.379
   80    HB3  ASP  13          3HB       ASP  13  -2.198  -2.530   7.958
   81    H    LEU  14           HN       LEU  14  -4.045  -0.909   5.309
   82    HA   LEU  14           HA       LEU  14  -4.802   1.208   7.162
   83    HB2  LEU  14          2HB       LEU  14  -2.121   0.758   6.362
   84    HB3  LEU  14          3HB       LEU  14  -2.680   2.222   5.557
   85    HG   LEU  14           HG       LEU  14  -3.170   1.980   8.477
   86   HD11  LEU  14          1HD1      LEU  14  -0.935   1.256   8.507
   87   HD12  LEU  14          2HD1      LEU  14  -0.866   2.989   8.824
   88   HD13  LEU  14          3HD1      LEU  14  -0.469   2.369   7.220
   89   HD21  LEU  14          1HD2      LEU  14  -3.996   3.950   7.552
   90   HD22  LEU  14          2HD2      LEU  14  -2.603   4.151   6.490
   91   HD23  LEU  14          3HD2      LEU  14  -2.439   4.434   8.224
   92    H    ILE  15           HN       ILE  15  -6.233   2.518   6.236
   93    HA   ILE  15           HA       ILE  15  -6.451   2.489   3.303
   94    HB   ILE  15           HB       ILE  15  -8.564   3.371   5.268
   95   HG12  ILE  15          2HG1      ILE  15  -8.244   0.699   3.883
   96   HG13  ILE  15          3HG1      ILE  15  -8.035   0.996   5.605
   97   HG21  ILE  15          1HG2      ILE  15  -8.439   4.015   2.698
   98   HG22  ILE  15          2HG2      ILE  15  -9.165   2.419   2.525
   99   HG23  ILE  15          3HG2      ILE  15  -9.967   3.650   3.499
  100   HD11  ILE  15          1HD1      ILE  15 -10.396   0.336   4.196
  101   HD12  ILE  15          2HD1      ILE  15 -10.184   0.613   5.925
  102   HD13  ILE  15          3HD1      ILE  15 -10.591   1.958   4.860
  103    H    LEU  16           HN       LEU  16  -4.812   4.086   3.027
  104    HA   LEU  16           HA       LEU  16  -4.463   6.501   4.174
  105    HB2  LEU  16          2HB       LEU  16  -4.406   5.800   1.249
  106    HB3  LEU  16          3HB       LEU  16  -3.881   7.366   1.866
  107    HG   LEU  16           HG       LEU  16  -2.646   4.688   2.505
  108   HD11  LEU  16          1HD1      LEU  16  -2.331   6.207   0.253
  109   HD12  LEU  16          2HD1      LEU  16  -1.149   5.065   0.890
  110   HD13  LEU  16          3HD1      LEU  16  -1.018   6.780   1.282
  111   HD21  LEU  16          1HD2      LEU  16  -0.864   6.353   3.461
  112   HD22  LEU  16          2HD2      LEU  16  -2.246   5.859   4.439
  113   HD23  LEU  16          3HD2      LEU  16  -2.255   7.423   3.625
  114    HA   PRO  17           HA       PRO  17  -8.043   8.996   3.686
  115    HB2  PRO  17          2HB       PRO  17  -6.930  11.464   3.481
  116    HB3  PRO  17          3HB       PRO  17  -6.982  10.557   4.997
  117    HG2  PRO  17          2HG       PRO  17  -4.731  10.857   3.047
  118    HG3  PRO  17          3HG       PRO  17  -4.692  10.916   4.819
  119    HD2  PRO  17          2HD       PRO  17  -3.963   8.717   3.419
  120    HD3  PRO  17          3HD       PRO  17  -4.719   8.621   5.022
  121    H    CYS  18           HN       CYS  18  -5.998   8.353   1.188
  122    HA   CYS  18           HA       CYS  18  -7.330  10.177  -0.688
  123    HB2  CYS  18          2HB       CYS  18  -5.555   9.608  -2.262
  124    HB3  CYS  18          3HB       CYS  18  -4.865  10.150  -0.736
  125    H    ALA  19           HN       ALA  19  -7.859   7.238   0.563
  126    HA   ALA  19           HA       ALA  19  -9.299   5.568  -0.048
  127    HB1  ALA  19          1HB       ALA  19 -10.148   7.580  -1.609
  128    HB2  ALA  19          2HB       ALA  19  -9.607   6.446  -2.848
  129    HB3  ALA  19          3HB       ALA  19 -10.823   5.951  -1.671
  130    H    HIS  20           HN       HIS  20  -6.614   5.106  -0.119
  131    HA   HIS  20           HA       HIS  20  -6.436   3.097  -2.226
  132    HB2  HIS  20          2HB       HIS  20  -4.461   5.331  -1.814
  133    HB3  HIS  20          3HB       HIS  20  -3.982   3.809  -2.556
  134    HD2  HIS  20          2HD       HIS  20  -6.443   3.363  -4.615
  135    HE1  HIS  20          1HE       HIS  20  -5.529   7.272  -5.988
  136    HE2  HIS  20          2HE       HIS  20  -6.775   5.136  -6.469
  137    H    SER  21           HN       SER  21  -6.529   1.422  -0.802
  138    HA   SER  21           HA       SER  21  -5.203   1.335   1.687
  139    HB2  SER  21          2HB       SER  21  -6.833  -0.256   1.698
  140    HB3  SER  21          3HB       SER  21  -6.672  -0.581  -0.028
  141    HG   SER  21           HG       SER  21  -5.084  -1.557   2.100
  142    H    PHE  22           HN       PHE  22  -3.458  -0.128   2.301
  143    HA   PHE  22           HA       PHE  22  -1.672  -1.123   0.287
  144    HB2  PHE  22          2HB       PHE  22  -0.822   1.257   1.952
  145    HB3  PHE  22          3HB       PHE  22   0.252   0.298   0.940
  146    HD1  PHE  22          1HD       PHE  22  -0.313   0.168  -1.563
  147    HD2  PHE  22          2HD       PHE  22  -1.924   3.095   1.075
  148    HE1  PHE  22          1HE       PHE  22  -0.840   1.607  -3.487
  149    HE2  PHE  22          2HE       PHE  22  -2.454   4.538  -0.846
  150    HZ   PHE  22           HZ       PHE  22  -1.913   3.795  -3.131
  151    H    CYS  23           HN       CYS  23  -1.883  -3.064   1.393
  152    HA   CYS  23           HA       CYS  23  -1.803  -3.649   4.029
  153    HB2  CYS  23          2HB       CYS  23  -1.009  -5.818   3.480
  154    HB3  CYS  23          3HB       CYS  23  -1.921  -5.271   2.077
  155    H    GLN  24           HN       GLN  24  -0.315  -3.869   5.655
  156    HA   GLN  24           HA       GLN  24   1.708  -2.160   6.030
  157    HB2  GLN  24          2HB       GLN  24   0.785  -4.097   7.544
  158    HB3  GLN  24          3HB       GLN  24   2.186  -4.971   6.940
  159    HG2  GLN  24          2HG       GLN  24   2.865  -4.023   8.968
  160    HG3  GLN  24          3HG       GLN  24   3.577  -3.008   7.714
  161   HE21  GLN  24          1HE2      GLN  24   3.657  -1.038   8.550
  162   HE22  GLN  24          2HE2      GLN  24   2.334  -0.197   9.273
  163    H    LYS  25           HN       LYS  25   2.318  -5.475   4.852
  164    HA   LYS  25           HA       LYS  25   4.939  -5.492   4.350
  165    HB2  LYS  25          2HB       LYS  25   2.645  -6.753   3.139
  166    HB3  LYS  25          3HB       LYS  25   3.874  -6.436   1.922
  167    HG2  LYS  25          2HG       LYS  25   5.527  -7.579   3.400
  168    HG3  LYS  25          3HG       LYS  25   4.185  -8.028   4.455
  169    HD2  LYS  25          2HD       LYS  25   3.189  -9.364   2.773
  170    HD3  LYS  25          3HD       LYS  25   4.238  -8.697   1.521
  171    HE2  LYS  25          2HE       LYS  25   5.892  -9.796   3.544
  172    HE3  LYS  25          3HE       LYS  25   4.648 -10.985   3.165
  173    HZ1  LYS  25          1HZ       LYS  25   5.707 -11.476   1.301
  174    HZ2  LYS  25          2HZ       LYS  25   6.938 -10.389   1.704
  175    HZ3  LYS  25          3HZ       LYS  25   5.625  -9.871   0.774
  176    H    CYS  26           HN       CYS  26   2.629  -4.189   1.960
  177    HA   CYS  26           HA       CYS  26   4.583  -3.113   0.249
  178    HB2  CYS  26          2HB       CYS  26   1.666  -2.453   0.648
  179    HB3  CYS  26          3HB       CYS  26   2.652  -1.687  -0.593
  180    H    ILE  27           HN       ILE  27   2.819  -1.727   2.974
  181    HA   ILE  27           HA       ILE  27   3.729   0.929   2.645
  182    HB   ILE  27           HB       ILE  27   2.151  -0.519   4.564
  183   HG12  ILE  27          2HG1      ILE  27   2.383   2.465   4.469
  184   HG13  ILE  27          3HG1      ILE  27   1.750   1.609   3.067
  185   HG21  ILE  27          1HG2      ILE  27   4.184   1.391   5.707
  186   HG22  ILE  27          2HG2      ILE  27   2.761   0.803   6.567
  187   HG23  ILE  27          3HG2      ILE  27   4.021  -0.327   6.071
  188   HD11  ILE  27          1HD1      ILE  27   0.263   2.496   5.150
  189   HD12  ILE  27          2HD1      ILE  27  -0.205   1.189   4.061
  190   HD13  ILE  27          3HD1      ILE  27   0.546   0.819   5.614
  191    H    ASP  28           HN       ASP  28   5.209  -1.909   3.917
  192    HA   ASP  28           HA       ASP  28   7.274  -0.402   5.320
  193    HB2  ASP  28          2HB       ASP  28   6.113  -2.829   5.839
  194    HB3  ASP  28          3HB       ASP  28   7.620  -3.310   5.066
  195    H    LYS  29           HN       LYS  29   6.739  -2.049   2.329
  196    HA   LYS  29           HA       LYS  29   9.529  -2.325   1.665
  197    HB2  LYS  29          2HB       LYS  29   8.072  -3.941   0.706
  198    HB3  LYS  29          3HB       LYS  29   6.976  -2.703   0.107
  199    HG2  LYS  29          2HG       LYS  29   8.066  -2.594  -1.814
  200    HG3  LYS  29          3HG       LYS  29   9.592  -2.285  -0.981
  201    HD2  LYS  29          2HD       LYS  29   8.473  -5.060  -1.130
  202    HD3  LYS  29          3HD       LYS  29   9.375  -4.384  -2.488
  203    HE2  LYS  29          2HE       LYS  29  11.013  -5.480  -1.259
  204    HE3  LYS  29          3HE       LYS  29  11.164  -3.807  -0.722
  205    HZ1  LYS  29          1HZ       LYS  29  10.473  -4.317   1.338
  206    HZ2  LYS  29          2HZ       LYS  29  10.960  -5.885   0.933
  207    HZ3  LYS  29          3HZ       LYS  29   9.331  -5.448   0.811
  208    H    TRP  30           HN       TRP  30   7.143  -0.811  -0.446
  209    HA   TRP  30           HA       TRP  30   8.670   0.889  -1.827
  210    HB2  TRP  30          2HB       TRP  30   5.925   1.397  -0.686
  211    HB3  TRP  30          3HB       TRP  30   6.699   2.517  -1.803
  212    HD1  TRP  30          1HD       TRP  30   4.768  -0.704  -1.697
  213    HE1  TRP  30          1HE       TRP  30   4.434  -1.592  -4.089
  214    HE3  TRP  30          3HE       TRP  30   7.964   2.423  -4.175
  215    HZ2  TRP  30          2HZ       TRP  30   5.399  -1.041  -6.683
  216    HZ3  TRP  30          3HZ       TRP  30   8.201   2.176  -6.612
  217    HH2  TRP  30          2HH       TRP  30   6.945   0.478  -7.838
  218    H    SER  31           HN       SER  31   7.390   1.606   1.409
  219    HA   SER  31           HA       SER  31   7.900   3.236   2.922
  220    HB2  SER  31          2HB       SER  31   9.968   1.791   2.915
  221    HB3  SER  31          3HB       SER  31  10.701   2.957   1.815
  222    HG   SER  31           HG       SER  31  11.214   3.348   4.031
  223    H    ASP  32           HN       ASP  32   6.666   4.551   1.136
  224    HA   ASP  32           HA       ASP  32   7.918   6.353  -0.544
  225    HB2  ASP  32          2HB       ASP  32   5.304   6.269   0.863
  226    HB3  ASP  32          3HB       ASP  32   5.807   7.830   0.219
  227    H    ARG  33           HN       ARG  33   7.408   6.537   2.926
  228    HA   ARG  33           HA       ARG  33   8.258   7.910   4.528
  229    HB2  ARG  33          2HB       ARG  33  10.225   8.282   2.298
  230    HB3  ARG  33          3HB       ARG  33  10.340   9.287   3.736
  231    HG2  ARG  33          2HG       ARG  33  10.200   6.307   3.961
  232    HG3  ARG  33          3HG       ARG  33  11.725   7.124   3.614
  233    HD2  ARG  33          2HD       ARG  33  11.964   7.737   5.739
  234    HD3  ARG  33          3HD       ARG  33  10.335   8.409   5.789
  235    HE   ARG  33           HE       ARG  33  10.273   5.577   5.945
  236   HH11  ARG  33          1HH1      ARG  33  10.963   8.434   7.812
  237   HH12  ARG  33          2HH1      ARG  33  10.575   7.694   9.330
  238   HH21  ARG  33          1HH2      ARG  33   9.760   4.592   7.937
  239   HH22  ARG  33          2HH2      ARG  33   9.892   5.509   9.400
  240    H    HIS  34           HN       HIS  34   6.498   8.905   2.086
  241    HA   HIS  34           HA       HIS  34   6.693  11.766   2.763
  242    HB2  HIS  34          2HB       HIS  34   5.914  10.350   0.236
  243    HB3  HIS  34          3HB       HIS  34   5.307  11.970   0.559
  244    HD2  HIS  34          2HD       HIS  34   8.988  11.164   1.534
  245    HE1  HIS  34          1HE       HIS  34   9.026  13.659  -1.898
  246    HE2  HIS  34          2HE       HIS  34  10.424  12.502  -0.151
  247    H    ARG  35           HN       ARG  35   4.678   8.964   2.730
  248    HA   ARG  35           HA       ARG  35   2.718   8.595   3.873
  249    HB2  ARG  35          2HB       ARG  35   3.513  10.813   5.117
  250    HB3  ARG  35          3HB       ARG  35   2.148  11.494   4.242
  251    HG2  ARG  35          2HG       ARG  35   0.827  10.771   5.861
  252    HG3  ARG  35          3HG       ARG  35   1.205   9.118   5.373
  253    HD2  ARG  35          2HD       ARG  35   2.755   8.835   7.037
  254    HD3  ARG  35          3HD       ARG  35   3.135  10.554   7.121
  255    HE   ARG  35           HE       ARG  35   1.439  10.832   8.646
  256   HH11  ARG  35          1HH1      ARG  35   1.204   7.679   7.190
  257   HH12  ARG  35          2HH1      ARG  35   0.001   7.112   8.300
  258   HH21  ARG  35          1HH2      ARG  35  -0.145  10.097  10.115
  259   HH22  ARG  35          2HH2      ARG  35  -0.766   8.489   9.963
  260    H    ASN  36           HN       ASN  36   3.179  10.562   1.182
  261    HA   ASN  36           HA       ASN  36   0.564  11.272   0.472
  262    HB2  ASN  36          2HB       ASN  36   1.606  11.064  -1.939
  263    HB3  ASN  36          3HB       ASN  36   2.142  12.331  -0.840
  264   HD21  ASN  36          1HD2      ASN  36   3.031   9.074  -0.180
  265   HD22  ASN  36          2HD2      ASN  36   4.688   9.202  -0.653
  266    H    CYS  37           HN       CYS  37   2.125   9.086  -1.735
  267    HA   CYS  37           HA       CYS  37   1.095   6.642  -1.273
  268    HB2  CYS  37          2HB       CYS  37  -1.138   7.133  -1.060
  269    HB3  CYS  37          3HB       CYS  37  -1.052   8.510  -2.154
  270    HA   PRO  38           HA       PRO  38   3.100   6.075  -5.150
  271    HB2  PRO  38          2HB       PRO  38   2.363   3.508  -5.642
  272    HB3  PRO  38          3HB       PRO  38   3.567   3.944  -4.425
  273    HG2  PRO  38          2HG       PRO  38   0.669   3.287  -4.071
  274    HG3  PRO  38          3HG       PRO  38   2.059   2.771  -3.100
  275    HD2  PRO  38          2HD       PRO  38   0.417   4.782  -2.335
  276    HD3  PRO  38          3HD       PRO  38   2.146   4.759  -1.936
  277    H    ILE  39           HN       ILE  39  -0.187   4.683  -5.035
  278    HA   ILE  39           HA       ILE  39  -0.620   4.953  -7.831
  279    HB   ILE  39           HB       ILE  39  -2.716   4.671  -5.677
  280   HG12  ILE  39          2HG1      ILE  39  -1.065   2.594  -7.120
  281   HG13  ILE  39          3HG1      ILE  39  -1.159   2.874  -5.385
  282   HG21  ILE  39          1HG2      ILE  39  -2.712   4.232  -8.647
  283   HG22  ILE  39          2HG2      ILE  39  -3.911   3.487  -7.592
  284   HG23  ILE  39          3HG2      ILE  39  -3.788   5.243  -7.685
  285   HD11  ILE  39          1HD1      ILE  39  -2.541   1.104  -5.487
  286   HD12  ILE  39          2HD1      ILE  39  -3.732   2.342  -5.888
  287   HD13  ILE  39          3HD1      ILE  39  -2.973   1.399  -7.171
  288    H    CYS  40           HN       CYS  40  -0.359   7.274  -5.527
  289    HA   CYS  40           HA       CYS  40  -2.431   9.019  -6.634
  290    HB2  CYS  40          2HB       CYS  40  -0.909   8.905  -4.109
  291    HB3  CYS  40          3HB       CYS  40  -1.185  10.525  -4.738
  292    H    ARG  41           HN       ARG  41   0.953   8.440  -6.766
  293    HA   ARG  41           HA       ARG  41   1.677  11.067  -7.691
  294    HB2  ARG  41          2HB       ARG  41   3.889  10.098  -8.073
  295    HB3  ARG  41          3HB       ARG  41   3.288   9.679  -6.474
  296    HG2  ARG  41          2HG       ARG  41   3.413   7.504  -6.902
  297    HG3  ARG  41          3HG       ARG  41   2.570   7.685  -8.441
  298    HD2  ARG  41          2HD       ARG  41   4.482   7.724  -9.626
  299    HD3  ARG  41          3HD       ARG  41   5.325   8.695  -8.419
  300    HE   ARG  41           HE       ARG  41   5.144   6.283  -7.227
  301   HH11  ARG  41          1HH1      ARG  41   6.261   7.303 -10.363
  302   HH12  ARG  41          2HH1      ARG  41   7.422   6.025 -10.510
  303   HH21  ARG  41          1HH2      ARG  41   6.669   4.595  -7.409
  304   HH22  ARG  41          2HH2      ARG  41   7.652   4.484  -8.829
  305    H    LEU  42           HN       LEU  42  -0.129  10.922  -9.355
  306    HA   LEU  42           HA       LEU  42   1.002  10.669 -11.919
  307    HB2  LEU  42          2HB       LEU  42  -0.585   8.847 -12.715
  308    HB3  LEU  42          3HB       LEU  42   0.833   8.347 -11.797
  309    HG   LEU  42           HG       LEU  42  -0.479   7.879  -9.868
  310   HD11  LEU  42          1HD1      LEU  42  -2.722   9.225 -11.354
  311   HD12  LEU  42          2HD1      LEU  42  -1.995   9.704  -9.821
  312   HD13  LEU  42          3HD1      LEU  42  -2.963   8.234  -9.915
  313   HD21  LEU  42          1HD2      LEU  42  -1.699   6.046 -10.611
  314   HD22  LEU  42          2HD2      LEU  42  -0.539   6.309 -11.912
  315   HD23  LEU  42          3HD2      LEU  42  -2.206   6.857 -12.094
  Start of MODEL   15
    1    H1   GLU   1           HN       GLU   1 -14.931  -6.243   3.597
    2    HA   GLU   1           HA       GLU   1 -13.225  -4.089   4.626
    3    HB2  GLU   1          2HB       GLU   1 -11.738  -5.743   5.412
    4    HB3  GLU   1          3HB       GLU   1 -13.344  -6.361   5.773
    5    HG2  GLU   1          2HG       GLU   1 -13.073  -7.545   3.453
    6    HG3  GLU   1          3HG       GLU   1 -11.356  -7.301   3.771
    7    H    GLU   2           HN       GLU   2 -12.020  -3.008   3.228
    8    HA   GLU   2           HA       GLU   2 -11.751  -3.739   0.512
    9    HB2  GLU   2          2HB       GLU   2  -9.932  -1.888   0.587
   10    HB3  GLU   2          3HB       GLU   2 -11.610  -1.449   0.872
   11    HG2  GLU   2          2HG       GLU   2 -10.111  -2.168   3.283
   12    HG3  GLU   2          3HG       GLU   2  -9.527  -0.730   2.448
   13    H    GLU   3           HN       GLU   3  -9.384  -3.616  -0.462
   14    HA   GLU   3           HA       GLU   3  -7.536  -5.255   1.101
   15    HB2  GLU   3          2HB       GLU   3  -8.509  -5.999  -1.663
   16    HB3  GLU   3          3HB       GLU   3  -7.203  -6.799  -0.802
   17    HG2  GLU   3          2HG       GLU   3  -8.626  -7.799   0.709
   18    HG3  GLU   3          3HG       GLU   3  -9.901  -6.609   0.453
   19    H    CYS   4           HN       CYS   4  -5.365  -5.236   0.307
   20    HA   CYS   4           HA       CYS   4  -4.252  -2.878  -0.315
   21    HB2  CYS   4          2HB       CYS   4  -3.084  -5.104   0.126
   22    HB3  CYS   4          3HB       CYS   4  -3.221  -5.402  -1.603
   23    H    CYS   5           HN       CYS   5  -3.536  -1.774  -2.175
   24    HA   CYS   5           HA       CYS   5  -5.210  -2.274  -4.533
   25    HB2  CYS   5          2HB       CYS   5  -4.577   0.074  -3.108
   26    HB3  CYS   5          3HB       CYS   5  -3.753   0.208  -4.656
   27    HG   CYS   5           HG       CYS   5  -6.535  -0.755  -5.671
   28    H    ILE   6           HN       ILE   6  -2.482  -3.455  -3.681
   29    HA   ILE   6           HA       ILE   6  -1.222  -3.088  -6.312
   30    HB   ILE   6           HB       ILE   6   0.228  -3.190  -3.665
   31   HG12  ILE   6          2HG1      ILE   6   0.301  -1.021  -5.762
   32   HG13  ILE   6          3HG1      ILE   6  -0.842  -1.003  -4.424
   33   HG21  ILE   6          1HG2      ILE   6   1.364  -4.486  -5.430
   34   HG22  ILE   6          2HG2      ILE   6   1.380  -3.046  -6.447
   35   HG23  ILE   6          3HG2      ILE   6   2.283  -3.065  -4.932
   36   HD11  ILE   6          1HD1      ILE   6   2.149  -0.818  -4.308
   37   HD12  ILE   6          2HD1      ILE   6   0.954   0.368  -3.782
   38   HD13  ILE   6          3HD1      ILE   6   1.154  -1.139  -2.889
   39    H    CYS   7           HN       CYS   7  -1.786  -5.122  -3.511
   40    HA   CYS   7           HA       CYS   7  -1.200  -7.470  -5.178
   41    HB2  CYS   7          2HB       CYS   7  -0.085  -8.588  -3.364
   42    HB3  CYS   7          3HB       CYS   7   0.687  -7.024  -3.594
   43    H    MET   8           HN       MET   8  -3.702  -6.717  -5.105
   44    HA   MET   8           HA       MET   8  -5.473  -7.118  -3.157
   45    HB2  MET   8          2HB       MET   8  -5.550  -8.123  -5.988
   46    HB3  MET   8          3HB       MET   8  -6.909  -8.379  -4.901
   47    HG2  MET   8          2HG       MET   8  -7.149  -5.990  -4.593
   48    HG3  MET   8          3HG       MET   8  -5.739  -5.698  -5.608
   49    HE1  MET   8          1HE       MET   8  -9.975  -6.423  -6.447
   50    HE2  MET   8          2HE       MET   8  -9.083  -5.688  -5.115
   51    HE3  MET   8          3HE       MET   8  -9.404  -4.759  -6.579
   52    H    ASP   9           HN       ASP   9  -4.855  -8.478  -1.504
   53    HA   ASP   9           HA       ASP   9  -5.788 -11.047  -1.415
   54    HB2  ASP   9          2HB       ASP   9  -3.154 -10.886  -2.709
   55    HB3  ASP   9          3HB       ASP   9  -3.233 -12.042  -1.382
   56    H    GLY  10           HN       GLY  10  -3.338  -8.789  -0.371
   57    HA2  GLY  10          1HA       GLY  10  -3.094 -10.086   2.233
   58    HA3  GLY  10          2HA       GLY  10  -2.170  -8.702   1.669
   59    H    ARG  11           HN       ARG  11  -5.564  -8.578   1.181
   60    HA   ARG  11           HA       ARG  11  -7.165  -7.179   1.995
   61    HB2  ARG  11          2HB       ARG  11  -5.797  -8.079   4.522
   62    HB3  ARG  11          3HB       ARG  11  -7.196  -7.014   4.555
   63    HG2  ARG  11          2HG       ARG  11  -8.245  -9.013   4.778
   64    HG3  ARG  11          3HG       ARG  11  -8.221  -8.902   3.017
   65    HD2  ARG  11          2HD       ARG  11  -6.852 -10.659   2.822
   66    HD3  ARG  11          3HD       ARG  11  -5.799 -10.088   4.115
   67    HE   ARG  11           HE       ARG  11  -8.044 -11.028   5.378
   68   HH11  ARG  11          1HH1      ARG  11  -5.667 -12.339   3.200
   69   HH12  ARG  11          2HH1      ARG  11  -5.796 -13.952   3.822
   70   HH21  ARG  11          1HH2      ARG  11  -8.224 -13.145   6.205
   71   HH22  ARG  11          2HH2      ARG  11  -7.251 -14.409   5.531
   72    H    ALA  12           HN       ALA  12  -7.551  -5.130   3.319
   73    HA   ALA  12           HA       ALA  12  -5.262  -3.342   2.887
   74    HB1  ALA  12          1HB       ALA  12  -7.065  -1.544   3.061
   75    HB2  ALA  12          2HB       ALA  12  -7.091  -2.581   1.634
   76    HB3  ALA  12          3HB       ALA  12  -8.226  -2.867   2.953
   77    H    ASP  13           HN       ASP  13  -4.114  -3.476   4.771
   78    HA   ASP  13           HA       ASP  13  -5.466  -3.228   7.329
   79    HB2  ASP  13          2HB       ASP  13  -3.428  -4.728   6.830
   80    HB3  ASP  13          3HB       ASP  13  -2.484  -3.242   6.921
   81    H    LEU  14           HN       LEU  14  -4.426  -1.121   4.998
   82    HA   LEU  14           HA       LEU  14  -4.473   1.100   6.876
   83    HB2  LEU  14          2HB       LEU  14  -2.052   0.160   6.176
   84    HB3  LEU  14          3HB       LEU  14  -2.336   1.281   4.846
   85    HG   LEU  14           HG       LEU  14  -1.323   2.746   6.217
   86   HD11  LEU  14          1HD1      LEU  14  -2.840   4.175   7.125
   87   HD12  LEU  14          2HD1      LEU  14  -3.725   2.893   7.951
   88   HD13  LEU  14          3HD1      LEU  14  -3.946   3.143   6.218
   89   HD21  LEU  14          1HD2      LEU  14  -0.594   1.137   7.830
   90   HD22  LEU  14          2HD2      LEU  14  -2.213   1.022   8.524
   91   HD23  LEU  14          3HD2      LEU  14  -1.281   2.510   8.700
   92    H    ILE  15           HN       ILE  15  -6.175   2.163   6.074
   93    HA   ILE  15           HA       ILE  15  -6.424   2.482   3.170
   94    HB   ILE  15           HB       ILE  15  -8.483   3.335   5.187
   95   HG12  ILE  15          2HG1      ILE  15  -9.316   0.892   4.132
   96   HG13  ILE  15          3HG1      ILE  15  -7.624   0.634   4.539
   97   HG21  ILE  15          1HG2      ILE  15  -8.891   2.335   2.385
   98   HG22  ILE  15          2HG2      ILE  15  -9.996   3.269   3.392
   99   HG23  ILE  15          3HG2      ILE  15  -8.544   4.028   2.738
  100   HD11  ILE  15          1HD1      ILE  15  -9.851   1.479   6.364
  101   HD12  ILE  15          2HD1      ILE  15  -8.894  -0.002   6.422
  102   HD13  ILE  15          3HD1      ILE  15  -8.149   1.545   6.818
  103    H    LEU  16           HN       LEU  16  -4.863   4.091   2.854
  104    HA   LEU  16           HA       LEU  16  -4.429   6.397   4.259
  105    HB2  LEU  16          2HB       LEU  16  -4.349   5.881   1.300
  106    HB3  LEU  16          3HB       LEU  16  -3.853   7.421   1.998
  107    HG   LEU  16           HG       LEU  16  -2.561   4.725   2.355
  108   HD11  LEU  16          1HD1      LEU  16  -2.065   6.129   0.327
  109   HD12  LEU  16          2HD1      LEU  16  -0.672   5.719   1.328
  110   HD13  LEU  16          3HD1      LEU  16  -1.381   7.331   1.423
  111   HD21  LEU  16          1HD2      LEU  16  -0.925   6.356   3.696
  112   HD22  LEU  16          2HD2      LEU  16  -2.217   5.442   4.476
  113   HD23  LEU  16          3HD2      LEU  16  -2.462   7.140   4.060
  114    HA   PRO  17           HA       PRO  17  -7.950   8.996   3.927
  115    HB2  PRO  17          2HB       PRO  17  -6.798  11.451   3.802
  116    HB3  PRO  17          3HB       PRO  17  -6.838  10.483   5.281
  117    HG2  PRO  17          2HG       PRO  17  -4.618  10.828   3.301
  118    HG3  PRO  17          3HG       PRO  17  -4.545  10.812   5.073
  119    HD2  PRO  17          2HD       PRO  17  -3.881   8.661   3.567
  120    HD3  PRO  17          3HD       PRO  17  -4.608   8.510   5.179
  121    H    CYS  18           HN       CYS  18  -5.965   8.423   1.364
  122    HA   CYS  18           HA       CYS  18  -7.290  10.353  -0.408
  123    HB2  CYS  18          2HB       CYS  18  -5.568   9.670  -2.069
  124    HB3  CYS  18          3HB       CYS  18  -4.880  10.353  -0.599
  125    H    ALA  19           HN       ALA  19  -7.773   7.317   0.709
  126    HA   ALA  19           HA       ALA  19  -9.343   5.763   0.064
  127    HB1  ALA  19          1HB       ALA  19  -9.463   6.940  -2.688
  128    HB2  ALA  19          2HB       ALA  19 -10.710   6.073  -1.790
  129    HB3  ALA  19          3HB       ALA  19 -10.276   7.719  -1.330
  130    H    HIS  20           HN       HIS  20  -6.558   5.379  -0.077
  131    HA   HIS  20           HA       HIS  20  -6.441   3.351  -2.195
  132    HB2  HIS  20          2HB       HIS  20  -4.343   5.428  -1.574
  133    HB3  HIS  20          3HB       HIS  20  -3.977   3.946  -2.453
  134    HD2  HIS  20          2HD       HIS  20  -6.212   3.810  -4.679
  135    HE1  HIS  20          1HE       HIS  20  -5.361   7.892  -5.466
  136    HE2  HIS  20          2HE       HIS  20  -6.501   5.806  -6.300
  137    H    SER  21           HN       SER  21  -6.287   1.465  -1.188
  138    HA   SER  21           HA       SER  21  -5.266   1.228   1.480
  139    HB2  SER  21          2HB       SER  21  -5.698  -1.213   1.144
  140    HB3  SER  21          3HB       SER  21  -7.100  -0.198   0.805
  141    HG   SER  21           HG       SER  21  -6.688  -0.423  -1.391
  142    H    PHE  22           HN       PHE  22  -3.531  -0.213   2.113
  143    HA   PHE  22           HA       PHE  22  -1.602  -1.083   0.183
  144    HB2  PHE  22          2HB       PHE  22  -0.928   1.281   1.947
  145    HB3  PHE  22          3HB       PHE  22   0.249   0.359   1.017
  146    HD1  PHE  22          1HD       PHE  22  -0.116   0.239  -1.526
  147    HD2  PHE  22          2HD       PHE  22  -1.992   3.106   1.001
  148    HE1  PHE  22          1HE       PHE  22  -0.521   1.687  -3.474
  149    HE2  PHE  22          2HE       PHE  22  -2.400   4.557  -0.943
  150    HZ   PHE  22           HZ       PHE  22  -1.666   3.848  -3.184
  151    H    CYS  23           HN       CYS  23  -1.947  -3.050   1.272
  152    HA   CYS  23           HA       CYS  23  -1.922  -3.649   3.912
  153    HB2  CYS  23          2HB       CYS  23  -1.320  -5.841   3.351
  154    HB3  CYS  23          3HB       CYS  23  -2.037  -5.220   1.868
  155    H    GLN  24           HN       GLN  24  -0.374  -4.176   5.485
  156    HA   GLN  24           HA       GLN  24   1.703  -2.474   5.900
  157    HB2  GLN  24          2HB       GLN  24   1.072  -5.201   6.892
  158    HB3  GLN  24          3HB       GLN  24   2.695  -4.596   7.200
  159    HG2  GLN  24          2HG       GLN  24   0.732  -2.594   7.836
  160    HG3  GLN  24          3HG       GLN  24   0.386  -4.103   8.681
  161   HE21  GLN  24          1HE2      GLN  24   2.099  -1.269   8.779
  162   HE22  GLN  24          2HE2      GLN  24   3.269  -1.694   9.975
  163    H    LYS  25           HN       LYS  25   2.139  -5.812   4.712
  164    HA   LYS  25           HA       LYS  25   4.751  -5.979   4.214
  165    HB2  LYS  25          2HB       LYS  25   2.842  -6.656   1.988
  166    HB3  LYS  25          3HB       LYS  25   4.323  -7.487   2.447
  167    HG2  LYS  25          2HG       LYS  25   3.102  -7.981   4.660
  168    HG3  LYS  25          3HG       LYS  25   1.639  -7.554   3.767
  169    HD2  LYS  25          2HD       LYS  25   1.612  -9.528   2.736
  170    HD3  LYS  25          3HD       LYS  25   3.295  -9.351   2.233
  171    HE2  LYS  25          2HE       LYS  25   2.820 -10.007   5.077
  172    HE3  LYS  25          3HE       LYS  25   2.449 -11.270   3.904
  173    HZ1  LYS  25          1HZ       LYS  25   4.603 -11.735   3.905
  174    HZ2  LYS  25          2HZ       LYS  25   4.980 -10.371   4.829
  175    HZ3  LYS  25          3HZ       LYS  25   4.889 -10.252   3.144
  176    H    CYS  26           HN       CYS  26   2.507  -4.367   1.961
  177    HA   CYS  26           HA       CYS  26   4.583  -3.408   0.265
  178    HB2  CYS  26          2HB       CYS  26   1.672  -2.648   0.543
  179    HB3  CYS  26          3HB       CYS  26   2.739  -1.954  -0.674
  180    H    ILE  27           HN       ILE  27   2.778  -2.051   2.967
  181    HA   ILE  27           HA       ILE  27   3.731   0.604   2.701
  182    HB   ILE  27           HB       ILE  27   1.983  -0.782   4.449
  183   HG12  ILE  27          2HG1      ILE  27   2.610   2.158   4.591
  184   HG13  ILE  27          3HG1      ILE  27   1.808   1.466   3.186
  185   HG21  ILE  27          1HG2      ILE  27   2.590   0.074   6.623
  186   HG22  ILE  27          2HG2      ILE  27   3.907  -0.911   5.990
  187   HG23  ILE  27          3HG2      ILE  27   4.025   0.848   5.952
  188   HD11  ILE  27          1HD1      ILE  27   0.561   0.651   5.668
  189   HD12  ILE  27          2HD1      ILE  27   0.594   2.403   5.469
  190   HD13  ILE  27          3HD1      ILE  27  -0.147   1.388   4.232
  191    H    ASP  28           HN       ASP  28   5.205  -2.264   3.789
  192    HA   ASP  28           HA       ASP  28   7.217  -0.829   5.358
  193    HB2  ASP  28          2HB       ASP  28   6.194  -3.572   5.296
  194    HB3  ASP  28          3HB       ASP  28   7.952  -3.487   5.377
  195    H    LYS  29           HN       LYS  29   6.807  -2.636   2.387
  196    HA   LYS  29           HA       LYS  29   9.612  -2.749   1.779
  197    HB2  LYS  29          2HB       LYS  29   7.084  -3.483   0.375
  198    HB3  LYS  29          3HB       LYS  29   8.538  -3.267  -0.592
  199    HG2  LYS  29          2HG       LYS  29   9.022  -4.910   1.745
  200    HG3  LYS  29          3HG       LYS  29   7.750  -5.569   0.713
  201    HD2  LYS  29          2HD       LYS  29  10.227  -4.586  -0.600
  202    HD3  LYS  29          3HD       LYS  29  10.322  -6.099   0.304
  203    HE2  LYS  29          2HE       LYS  29   9.472  -7.142  -1.464
  204    HE3  LYS  29          3HE       LYS  29   7.969  -6.255  -1.212
  205    HZ1  LYS  29          1HZ       LYS  29   8.500  -5.702  -3.361
  206    HZ2  LYS  29          2HZ       LYS  29  10.168  -5.685  -3.079
  207    HZ3  LYS  29          3HZ       LYS  29   9.203  -4.412  -2.522
  208    H    TRP  30           HN       TRP  30   6.920  -0.641   0.981
  209    HA   TRP  30           HA       TRP  30   8.782   1.089  -0.510
  210    HB2  TRP  30          2HB       TRP  30   5.789   1.223  -0.776
  211    HB3  TRP  30          3HB       TRP  30   7.021   1.813  -1.888
  212    HD1  TRP  30          1HD       TRP  30   4.742  -1.043  -1.367
  213    HE1  TRP  30          1HE       TRP  30   5.318  -2.966  -2.975
  214    HE3  TRP  30          3HE       TRP  30   9.306   0.595  -2.989
  215    HZ2  TRP  30          2HZ       TRP  30   7.428  -3.695  -4.703
  216    HZ3  TRP  30          3HZ       TRP  30  10.538  -0.775  -4.620
  217    HH2  TRP  30          2HH       TRP  30   9.617  -2.875  -5.457
  218    H    SER  31           HN       SER  31   8.433   3.407  -0.306
  219    HA   SER  31           HA       SER  31   8.438   5.251   1.043
  220    HB2  SER  31          2HB       SER  31   5.769   4.243   0.803
  221    HB3  SER  31          3HB       SER  31   5.969   4.937   2.412
  222    HG   SER  31           HG       SER  31   5.691   6.767   1.426
  223    H    ASP  32           HN       ASP  32   7.452   5.860   3.499
  224    HA   ASP  32           HA       ASP  32   7.982   3.862   5.462
  225    HB2  ASP  32          2HB       ASP  32   9.969   5.424   6.358
  226    HB3  ASP  32          3HB       ASP  32  10.248   4.043   5.300
  227    H    ARG  33           HN       ARG  33   8.983   7.209   5.812
  228    HA   ARG  33           HA       ARG  33   6.578   7.695   7.445
  229    HB2  ARG  33          2HB       ARG  33   9.451   8.426   7.891
  230    HB3  ARG  33          3HB       ARG  33   8.176   9.418   8.586
  231    HG2  ARG  33          2HG       ARG  33   7.408   7.682   9.951
  232    HG3  ARG  33          3HG       ARG  33   8.274   6.455   9.024
  233    HD2  ARG  33          2HD       ARG  33   9.708   8.640  10.503
  234    HD3  ARG  33          3HD       ARG  33   9.243   7.133  11.290
  235    HE   ARG  33           HE       ARG  33  10.616   6.487   8.951
  236   HH11  ARG  33          1HH1      ARG  33  11.223   8.019  12.018
  237   HH12  ARG  33          2HH1      ARG  33  12.892   7.558  12.066
  238   HH21  ARG  33          1HH2      ARG  33  12.813   5.874   9.003
  239   HH22  ARG  33          2HH2      ARG  33  13.796   6.338  10.351
  240    H    HIS  34           HN       HIS  34   6.804   8.206   4.630
  241    HA   HIS  34           HA       HIS  34   7.025  11.123   4.478
  242    HB2  HIS  34          2HB       HIS  34   6.925   8.952   2.391
  243    HB3  HIS  34          3HB       HIS  34   6.706  10.648   1.973
  244    HD2  HIS  34          2HD       HIS  34   9.332  10.587   4.630
  245    HE1  HIS  34          1HE       HIS  34  11.437  10.198   0.968
  246    HE2  HIS  34          2HE       HIS  34  11.633  10.577   3.450
  247    H    ARG  35           HN       ARG  35   4.723   8.508   4.254
  248    HA   ARG  35           HA       ARG  35   2.438   8.584   4.506
  249    HB2  ARG  35          2HB       ARG  35   3.141  11.111   5.342
  250    HB3  ARG  35          3HB       ARG  35   2.055  11.442   4.000
  251    HG2  ARG  35          2HG       ARG  35   1.287   9.510   6.151
  252    HG3  ARG  35          3HG       ARG  35   1.077  11.249   6.367
  253    HD2  ARG  35          2HD       ARG  35  -0.091  11.099   4.034
  254    HD3  ARG  35          3HD       ARG  35  -0.268   9.395   4.452
  255    HE   ARG  35           HE       ARG  35  -1.698  11.612   5.580
  256   HH11  ARG  35          1HH1      ARG  35  -0.566   8.369   6.144
  257   HH12  ARG  35          2HH1      ARG  35  -1.778   8.012   7.328
  258   HH21  ARG  35          1HH2      ARG  35  -3.299  11.154   7.138
  259   HH22  ARG  35          2HH2      ARG  35  -3.333   9.597   7.893
  260    H    ASN  36           HN       ASN  36   4.230   9.919   1.947
  261    HA   ASN  36           HA       ASN  36   2.300  10.597   0.072
  262    HB2  ASN  36          2HB       ASN  36   5.130   9.870   0.037
  263    HB3  ASN  36          3HB       ASN  36   4.286   9.389  -1.433
  264   HD21  ASN  36          1HD2      ASN  36   5.924  11.835   0.052
  265   HD22  ASN  36          2HD2      ASN  36   5.382  13.163  -0.910
  266    H    CYS  37           HN       CYS  37   1.639   9.377  -1.866
  267    HA   CYS  37           HA       CYS  37   1.345   6.494  -1.351
  268    HB2  CYS  37          2HB       CYS  37  -0.794   7.218  -0.794
  269    HB3  CYS  37          3HB       CYS  37  -0.772   8.519  -1.979
  270    HA   PRO  38           HA       PRO  38   2.821   6.019  -5.472
  271    HB2  PRO  38          2HB       PRO  38   1.886   3.519  -5.970
  272    HB3  PRO  38          3HB       PRO  38   3.258   3.837  -4.900
  273    HG2  PRO  38          2HG       PRO  38   0.394   3.309  -4.203
  274    HG3  PRO  38          3HG       PRO  38   1.866   2.677  -3.442
  275    HD2  PRO  38          2HD       PRO  38   0.447   4.729  -2.389
  276    HD3  PRO  38          3HD       PRO  38   2.209   4.600  -2.218
  277    H    ILE  39           HN       ILE  39  -0.498   4.787  -4.991
  278    HA   ILE  39           HA       ILE  39  -1.299   5.114  -7.673
  279    HB   ILE  39           HB       ILE  39  -3.096   5.151  -5.248
  280   HG12  ILE  39          2HG1      ILE  39  -1.422   3.197  -5.470
  281   HG13  ILE  39          3HG1      ILE  39  -3.124   2.806  -5.244
  282   HG21  ILE  39          1HG2      ILE  39  -3.543   4.637  -8.170
  283   HG22  ILE  39          2HG2      ILE  39  -4.660   4.044  -6.941
  284   HG23  ILE  39          3HG2      ILE  39  -4.371   5.776  -7.108
  285   HD11  ILE  39          1HD1      ILE  39  -3.362   2.011  -7.373
  286   HD12  ILE  39          2HD1      ILE  39  -2.047   3.001  -8.010
  287   HD13  ILE  39          3HD1      ILE  39  -1.687   1.573  -7.040
  288    H    CYS  40           HN       CYS  40  -0.576   7.424  -5.385
  289    HA   CYS  40           HA       CYS  40  -2.523   9.382  -6.317
  290    HB2  CYS  40          2HB       CYS  40  -0.530   9.263  -4.095
  291    HB3  CYS  40          3HB       CYS  40  -1.047  10.842  -4.676
  292    H    ARG  41           HN       ARG  41   0.058   8.181  -7.704
  293    HA   ARG  41           HA       ARG  41   1.269  10.736  -8.486
  294    HB2  ARG  41          2HB       ARG  41   2.245   7.997  -8.217
  295    HB3  ARG  41          3HB       ARG  41   2.706   8.738  -9.745
  296    HG2  ARG  41          2HG       ARG  41   3.822  10.522  -8.637
  297    HG3  ARG  41          3HG       ARG  41   3.173  10.029  -7.071
  298    HD2  ARG  41          2HD       ARG  41   4.450   7.761  -8.015
  299    HD3  ARG  41          3HD       ARG  41   5.514   9.079  -8.498
  300    HE   ARG  41           HE       ARG  41   4.878   9.571  -5.870
  301   HH11  ARG  41          1HH1      ARG  41   6.378   6.987  -7.657
  302   HH12  ARG  41          2HH1      ARG  41   7.386   6.485  -6.339
  303   HH21  ARG  41          1HH2      ARG  41   6.199   8.920  -4.128
  304   HH22  ARG  41          2HH2      ARG  41   7.281   7.585  -4.332
  305    H    LEU  42           HN       LEU  42  -1.295   9.127  -9.415
  306    HA   LEU  42           HA       LEU  42  -1.206  10.116 -12.103
  307    HB2  LEU  42          2HB       LEU  42  -1.233   8.160 -13.322
  308    HB3  LEU  42          3HB       LEU  42  -0.032   7.817 -12.080
  309    HG   LEU  42           HG       LEU  42  -2.148   6.773 -10.859
  310   HD11  LEU  42          1HD1      LEU  42  -3.160   7.391 -13.427
  311   HD12  LEU  42          2HD1      LEU  42  -3.956   6.525 -12.113
  312   HD13  LEU  42          3HD1      LEU  42  -3.021   5.636 -13.314
  313   HD21  LEU  42          1HD2      LEU  42   0.074   5.758 -11.751
  314   HD22  LEU  42          2HD2      LEU  42  -0.940   5.161 -13.066
  315   HD23  LEU  42          3HD2      LEU  42  -1.293   4.699 -11.400
  Start of MODEL   16
    1    H1   GLU   1           HN       GLU   1 -14.858  -4.635   5.576
    2    HA   GLU   1           HA       GLU   1 -12.618  -6.335   5.124
    3    HB2  GLU   1          2HB       GLU   1 -15.174  -6.535   3.567
    4    HB3  GLU   1          3HB       GLU   1 -14.118  -7.823   4.131
    5    HG2  GLU   1          2HG       GLU   1 -14.963  -6.594   6.457
    6    HG3  GLU   1          3HG       GLU   1 -16.391  -6.588   5.424
    7    H    GLU   2           HN       GLU   2 -11.318  -4.534   4.128
    8    HA   GLU   2           HA       GLU   2 -11.887  -4.280   1.251
    9    HB2  GLU   2          2HB       GLU   2 -11.525  -2.249   2.957
   10    HB3  GLU   2          3HB       GLU   2  -9.842  -2.556   2.548
   11    HG2  GLU   2          2HG       GLU   2 -10.075  -1.435   0.663
   12    HG3  GLU   2          3HG       GLU   2 -11.351  -2.534   0.143
   13    H    GLU   3           HN       GLU   3  -9.687  -3.839   0.023
   14    HA   GLU   3           HA       GLU   3  -7.667  -5.763   0.942
   15    HB2  GLU   3          2HB       GLU   3  -8.500  -5.606  -1.945
   16    HB3  GLU   3          3HB       GLU   3  -7.541  -6.848  -1.151
   17    HG2  GLU   3          2HG       GLU   3  -9.760  -7.165   0.245
   18    HG3  GLU   3          3HG       GLU   3 -10.480  -6.457  -1.200
   19    H    CYS   4           HN       CYS   4  -5.555  -5.456   0.027
   20    HA   CYS   4           HA       CYS   4  -4.668  -2.834   0.003
   21    HB2  CYS   4          2HB       CYS   4  -3.245  -4.863   0.335
   22    HB3  CYS   4          3HB       CYS   4  -3.331  -5.156  -1.399
   23    H    CYS   5           HN       CYS   5  -3.560  -1.690  -1.806
   24    HA   CYS   5           HA       CYS   5  -5.163  -1.915  -4.265
   25    HB2  CYS   5          2HB       CYS   5  -3.829   0.495  -3.020
   26    HB3  CYS   5          3HB       CYS   5  -4.594   0.501  -4.604
   27    HG   CYS   5           HG       CYS   5  -7.037   0.792  -3.812
   28    H    ILE   6           HN       ILE   6  -2.672  -3.357  -3.594
   29    HA   ILE   6           HA       ILE   6  -1.240  -2.721  -6.039
   30    HB   ILE   6           HB       ILE   6   0.131  -2.700  -3.348
   31   HG12  ILE   6          2HG1      ILE   6  -0.007  -0.593  -5.515
   32   HG13  ILE   6          3HG1      ILE   6  -0.978  -0.585  -4.047
   33   HG21  ILE   6          1HG2      ILE   6   2.219  -2.585  -4.472
   34   HG22  ILE   6          2HG2      ILE   6   1.350  -3.961  -5.148
   35   HG23  ILE   6          3HG2      ILE   6   1.439  -2.446  -6.047
   36   HD11  ILE   6          1HD1      ILE   6   1.073   0.886  -4.067
   37   HD12  ILE   6          2HD1      ILE   6   0.900  -0.203  -2.690
   38   HD13  ILE   6          3HD1      ILE   6   2.020  -0.600  -3.993
   39    H    CYS   7           HN       CYS   7  -0.605  -4.631  -3.092
   40    HA   CYS   7           HA       CYS   7   0.436  -6.855  -4.435
   41    HB2  CYS   7          2HB       CYS   7  -0.998  -7.058  -1.796
   42    HB3  CYS   7          3HB       CYS   7   0.402  -7.966  -2.356
   43    H    MET   8           HN       MET   8  -2.857  -6.077  -3.438
   44    HA   MET   8           HA       MET   8  -4.871  -6.922  -4.073
   45    HB2  MET   8          2HB       MET   8  -3.398  -8.535  -6.154
   46    HB3  MET   8          3HB       MET   8  -5.082  -8.028  -6.180
   47    HG2  MET   8          2HG       MET   8  -3.353  -5.745  -5.960
   48    HG3  MET   8          3HG       MET   8  -2.891  -6.743  -7.337
   49    HE1  MET   8          1HE       MET   8  -4.048  -3.709  -8.063
   50    HE2  MET   8          2HE       MET   8  -3.257  -5.021  -8.938
   51    HE3  MET   8          3HE       MET   8  -4.805  -4.393  -9.502
   52    H    ASP   9           HN       ASP   9  -2.647  -8.507  -2.483
   53    HA   ASP   9           HA       ASP   9  -4.402 -10.727  -1.871
   54    HB2  ASP   9          2HB       ASP   9  -2.667 -11.317  -3.784
   55    HB3  ASP   9          3HB       ASP   9  -1.570 -11.500  -2.419
   56    H    GLY  10           HN       GLY  10  -4.083  -8.792  -0.164
   57    HA2  GLY  10          1HA       GLY  10  -2.737 -10.013   2.046
   58    HA3  GLY  10          2HA       GLY  10  -1.885  -8.587   1.473
   59    H    ARG  11           HN       ARG  11  -5.320  -8.673   1.147
   60    HA   ARG  11           HA       ARG  11  -6.957  -7.358   2.029
   61    HB2  ARG  11          2HB       ARG  11  -5.404  -7.933   4.559
   62    HB3  ARG  11          3HB       ARG  11  -7.018  -7.235   4.514
   63    HG2  ARG  11          2HG       ARG  11  -6.138 -10.015   4.061
   64    HG3  ARG  11          3HG       ARG  11  -7.602  -9.394   4.827
   65    HD2  ARG  11          2HD       ARG  11  -8.383  -8.715   2.535
   66    HD3  ARG  11          3HD       ARG  11  -7.011  -9.609   1.882
   67    HE   ARG  11           HE       ARG  11  -8.186 -11.532   2.215
   68   HH11  ARG  11          1HH1      ARG  11  -9.502  -9.058   4.283
   69   HH12  ARG  11          2HH1      ARG  11 -10.802 -10.047   4.857
   70   HH21  ARG  11          1HH2      ARG  11  -9.895 -12.844   2.964
   71   HH22  ARG  11          2HH2      ARG  11 -11.025 -12.201   4.106
   72    H    ALA  12           HN       ALA  12  -7.143  -5.437   3.892
   73    HA   ALA  12           HA       ALA  12  -5.015  -3.505   3.246
   74    HB1  ALA  12          1HB       ALA  12  -6.979  -3.073   1.841
   75    HB2  ALA  12          2HB       ALA  12  -7.972  -2.911   3.290
   76    HB3  ALA  12          3HB       ALA  12  -6.678  -1.755   2.974
   77    H    ASP  13           HN       ASP  13  -4.004  -3.248   5.144
   78    HA   ASP  13           HA       ASP  13  -5.469  -3.254   7.641
   79    HB2  ASP  13          2HB       ASP  13  -3.481  -4.211   8.150
   80    HB3  ASP  13          3HB       ASP  13  -2.647  -3.418   6.816
   81    H    LEU  14           HN       LEU  14  -4.214  -0.951   5.398
   82    HA   LEU  14           HA       LEU  14  -4.969   1.219   7.241
   83    HB2  LEU  14          2HB       LEU  14  -2.490   0.764   5.805
   84    HB3  LEU  14          3HB       LEU  14  -3.196   2.334   5.428
   85    HG   LEU  14           HG       LEU  14  -2.914   3.126   7.581
   86   HD11  LEU  14          1HD1      LEU  14  -2.200   1.327   9.398
   87   HD12  LEU  14          2HD1      LEU  14  -3.141   0.271   8.345
   88   HD13  LEU  14          3HD1      LEU  14  -3.890   1.701   9.055
   89   HD21  LEU  14          1HD2      LEU  14  -0.635   2.697   8.198
   90   HD22  LEU  14          2HD2      LEU  14  -0.750   2.696   6.438
   91   HD23  LEU  14          3HD2      LEU  14  -0.636   1.170   7.315
   92    H    ILE  15           HN       ILE  15  -5.488   3.282   6.052
   93    HA   ILE  15           HA       ILE  15  -6.447   2.955   3.334
   94    HB   ILE  15           HB       ILE  15  -8.370   3.640   5.560
   95   HG12  ILE  15          2HG1      ILE  15  -8.287   1.230   3.732
   96   HG13  ILE  15          3HG1      ILE  15  -7.810   1.230   5.426
   97   HG21  ILE  15          1HG2      ILE  15  -9.339   4.816   3.906
   98   HG22  ILE  15          2HG2      ILE  15  -8.452   3.965   2.641
   99   HG23  ILE  15          3HG2      ILE  15  -9.888   3.232   3.358
  100   HD11  ILE  15          1HD1      ILE  15 -10.336   2.267   5.530
  101   HD12  ILE  15          2HD1      ILE  15 -10.454   1.085   4.225
  102   HD13  ILE  15          3HD1      ILE  15  -9.899   0.584   5.822
  103    H    LEU  16           HN       LEU  16  -5.294   4.642   2.563
  104    HA   LEU  16           HA       LEU  16  -4.701   7.026   3.855
  105    HB2  LEU  16          2HB       LEU  16  -4.982   6.356   0.940
  106    HB3  LEU  16          3HB       LEU  16  -4.467   7.946   1.495
  107    HG   LEU  16           HG       LEU  16  -3.024   5.322   1.765
  108   HD11  LEU  16          1HD1      LEU  16  -1.468   6.200   0.340
  109   HD12  LEU  16          2HD1      LEU  16  -1.834   7.866   0.785
  110   HD13  LEU  16          3HD1      LEU  16  -2.927   6.977  -0.275
  111   HD21  LEU  16          1HD2      LEU  16  -2.657   6.213   3.880
  112   HD22  LEU  16          2HD2      LEU  16  -2.662   7.875   3.290
  113   HD23  LEU  16          3HD2      LEU  16  -1.289   6.821   2.949
  114    HA   PRO  17           HA       PRO  17  -8.358   9.453   3.860
  115    HB2  PRO  17          2HB       PRO  17  -7.352  11.944   3.469
  116    HB3  PRO  17          3HB       PRO  17  -7.156  11.056   4.985
  117    HG2  PRO  17          2HG       PRO  17  -5.228  11.386   2.720
  118    HG3  PRO  17          3HG       PRO  17  -4.927  11.468   4.465
  119    HD2  PRO  17          2HD       PRO  17  -4.357   9.269   2.992
  120    HD3  PRO  17          3HD       PRO  17  -4.864   9.175   4.690
  121    H    CYS  18           HN       CYS  18  -6.653   8.869   1.088
  122    HA   CYS  18           HA       CYS  18  -8.424  10.541  -0.566
  123    HB2  CYS  18          2HB       CYS  18  -6.789  10.250  -2.367
  124    HB3  CYS  18          3HB       CYS  18  -6.025  10.929  -0.933
  125    H    ALA  19           HN       ALA  19  -8.509   7.635   0.708
  126    HA   ALA  19           HA       ALA  19  -9.830   5.825   0.210
  127    HB1  ALA  19          1HB       ALA  19 -10.747   7.654  -1.594
  128    HB2  ALA  19          2HB       ALA  19 -10.190   6.352  -2.647
  129    HB3  ALA  19          3HB       ALA  19 -11.384   6.021  -1.392
  130    H    HIS  20           HN       HIS  20  -7.135   5.575   0.244
  131    HA   HIS  20           HA       HIS  20  -6.695   3.524  -1.798
  132    HB2  HIS  20          2HB       HIS  20  -5.006   5.941  -1.314
  133    HB3  HIS  20          3HB       HIS  20  -4.212   4.432  -1.752
  134    HD2  HIS  20          2HD       HIS  20  -6.151   3.394  -4.119
  135    HE1  HIS  20          1HE       HIS  20  -5.543   7.230  -5.828
  136    HE2  HIS  20          2HE       HIS  20  -6.371   4.884  -6.222
  137    H    SER  21           HN       SER  21  -6.427   1.710  -0.688
  138    HA   SER  21           HA       SER  21  -5.353   1.757   2.004
  139    HB2  SER  21          2HB       SER  21  -5.705  -0.891   1.417
  140    HB3  SER  21          3HB       SER  21  -6.952   0.156   2.093
  141    HG   SER  21           HG       SER  21  -7.864  -0.734   0.318
  142    H    PHE  22           HN       PHE  22  -3.706   0.097   2.627
  143    HA   PHE  22           HA       PHE  22  -1.881  -0.835   0.624
  144    HB2  PHE  22          2HB       PHE  22  -0.992   1.402   2.457
  145    HB3  PHE  22          3HB       PHE  22   0.063   0.479   1.392
  146    HD1  PHE  22          1HD       PHE  22  -2.458   3.096   1.599
  147    HD2  PHE  22          2HD       PHE  22  -0.024   0.788  -1.020
  148    HE1  PHE  22          1HE       PHE  22  -2.909   4.692  -0.219
  149    HE2  PHE  22          2HE       PHE  22  -0.469   2.380  -2.843
  150    HZ   PHE  22           HZ       PHE  22  -1.912   4.335  -2.443
  151    H    CYS  23           HN       CYS  23  -2.177  -2.829   1.603
  152    HA   CYS  23           HA       CYS  23  -2.164  -3.500   4.251
  153    HB2  CYS  23          2HB       CYS  23  -1.723  -5.702   3.606
  154    HB3  CYS  23          3HB       CYS  23  -2.415  -4.994   2.150
  155    H    GLN  24           HN       GLN  24  -0.368  -4.772   5.400
  156    HA   GLN  24           HA       GLN  24   1.771  -2.999   5.913
  157    HB2  GLN  24          2HB       GLN  24   1.126  -5.798   6.787
  158    HB3  GLN  24          3HB       GLN  24   2.664  -5.061   7.214
  159    HG2  GLN  24          2HG       GLN  24   0.153  -3.573   7.782
  160    HG3  GLN  24          3HG       GLN  24   0.604  -4.924   8.820
  161   HE21  GLN  24          1HE2      GLN  24   1.538  -1.767   7.656
  162   HE22  GLN  24          2HE2      GLN  24   2.673  -1.425   8.913
  163    H    LYS  25           HN       LYS  25   1.664  -6.174   4.317
  164    HA   LYS  25           HA       LYS  25   4.201  -6.771   3.765
  165    HB2  LYS  25          2HB       LYS  25   1.781  -7.443   2.622
  166    HB3  LYS  25          3HB       LYS  25   2.673  -6.761   1.269
  167    HG2  LYS  25          2HG       LYS  25   4.484  -8.332   1.640
  168    HG3  LYS  25          3HG       LYS  25   3.645  -8.992   3.044
  169    HD2  LYS  25          2HD       LYS  25   2.059 -10.058   1.763
  170    HD3  LYS  25          3HD       LYS  25   2.232  -8.928   0.418
  171    HE2  LYS  25          2HE       LYS  25   3.129 -11.131  -0.144
  172    HE3  LYS  25          3HE       LYS  25   4.396  -9.904  -0.136
  173    HZ1  LYS  25          1HZ       LYS  25   4.394 -12.289   1.236
  174    HZ2  LYS  25          2HZ       LYS  25   4.129 -11.111   2.421
  175    HZ3  LYS  25          3HZ       LYS  25   5.490 -11.013   1.422
  176    H    CYS  26           HN       CYS  26   2.408  -4.638   1.533
  177    HA   CYS  26           HA       CYS  26   4.733  -3.739   0.198
  178    HB2  CYS  26          2HB       CYS  26   3.189  -1.946  -0.693
  179    HB3  CYS  26          3HB       CYS  26   2.658  -3.602  -0.966
  180    H    ILE  27           HN       ILE  27   2.713  -2.264   2.718
  181    HA   ILE  27           HA       ILE  27   4.017   0.183   2.922
  182    HB   ILE  27           HB       ILE  27   2.208  -1.375   4.605
  183   HG12  ILE  27          2HG1      ILE  27   2.577   1.606   4.242
  184   HG13  ILE  27          3HG1      ILE  27   1.594   0.585   3.198
  185   HG21  ILE  27          1HG2      ILE  27   4.027  -1.188   6.205
  186   HG22  ILE  27          2HG2      ILE  27   4.119   0.550   5.924
  187   HG23  ILE  27          3HG2      ILE  27   2.684  -0.147   6.677
  188   HD11  ILE  27          1HD1      ILE  27  -0.115   1.009   4.535
  189   HD12  ILE  27          2HD1      ILE  27   0.700   0.072   5.789
  190   HD13  ILE  27          3HD1      ILE  27   0.932   1.819   5.701
  191    H    ASP  28           HN       ASP  28   5.108  -2.940   3.782
  192    HA   ASP  28           HA       ASP  28   7.209  -1.858   5.519
  193    HB2  ASP  28          2HB       ASP  28   5.692  -4.256   5.567
  194    HB3  ASP  28          3HB       ASP  28   7.365  -4.706   5.245
  195    H    LYS  29           HN       LYS  29   6.662  -3.422   2.449
  196    HA   LYS  29           HA       LYS  29   9.452  -3.931   1.947
  197    HB2  LYS  29          2HB       LYS  29   7.974  -5.445   0.899
  198    HB3  LYS  29          3HB       LYS  29   6.952  -4.150   0.287
  199    HG2  LYS  29          2HG       LYS  29   8.320  -3.711  -1.480
  200    HG3  LYS  29          3HG       LYS  29   9.772  -4.251  -0.634
  201    HD2  LYS  29          2HD       LYS  29   8.341  -6.561  -0.778
  202    HD3  LYS  29          3HD       LYS  29   7.869  -5.765  -2.281
  203    HE2  LYS  29          2HE       LYS  29  10.669  -5.448  -1.973
  204    HE3  LYS  29          3HE       LYS  29  10.286  -7.142  -1.668
  205    HZ1  LYS  29          1HZ       LYS  29  10.261  -5.686  -4.131
  206    HZ2  LYS  29          2HZ       LYS  29   8.809  -6.513  -3.868
  207    HZ3  LYS  29          3HZ       LYS  29  10.275  -7.358  -3.867
  208    H    TRP  30           HN       TRP  30   7.223  -2.152  -0.159
  209    HA   TRP  30           HA       TRP  30   8.954  -0.628  -1.542
  210    HB2  TRP  30          2HB       TRP  30   6.234   0.080  -0.462
  211    HB3  TRP  30          3HB       TRP  30   7.135   1.205  -1.475
  212    HD1  TRP  30          1HD       TRP  30   6.232  -2.573  -1.768
  213    HE1  TRP  30          1HE       TRP  30   5.440  -3.003  -4.179
  214    HE3  TRP  30          3HE       TRP  30   6.733   2.157  -3.640
  215    HZ2  TRP  30          2HZ       TRP  30   5.078  -1.531  -6.561
  216    HZ3  TRP  30          3HZ       TRP  30   6.143   2.563  -5.995
  217    HH2  TRP  30          2HH       TRP  30   5.333   0.755  -7.423
  218    H    SER  31           HN       SER  31   7.283   0.915   1.194
  219    HA   SER  31           HA       SER  31   7.940   2.746   2.427
  220    HB2  SER  31          2HB       SER  31  10.347   0.983   2.919
  221    HB3  SER  31          3HB       SER  31   9.662   2.186   4.013
  222    HG   SER  31           HG       SER  31   8.334  -0.161   3.123
  223    H    ASP  32           HN       ASP  32   8.277   4.045   0.457
  224    HA   ASP  32           HA       ASP  32  11.084   4.501  -0.235
  225    HB2  ASP  32          2HB       ASP  32   8.769   5.913  -1.526
  226    HB3  ASP  32          3HB       ASP  32  10.346   5.519  -2.205
  227    H    ARG  33           HN       ARG  33  11.507   5.471   1.874
  228    HA   ARG  33           HA       ARG  33  12.093   7.364   3.022
  229    HB2  ARG  33          2HB       ARG  33  11.412   8.374   0.494
  230    HB3  ARG  33          3HB       ARG  33  10.522   9.361   1.647
  231    HG2  ARG  33          2HG       ARG  33  12.723   9.650   2.875
  232    HG3  ARG  33          3HG       ARG  33  13.489   8.958   1.443
  233    HD2  ARG  33          2HD       ARG  33  12.177  10.754   0.143
  234    HD3  ARG  33          3HD       ARG  33  11.967  11.527   1.714
  235    HE   ARG  33           HE       ARG  33  14.361  11.434   0.141
  236   HH11  ARG  33          1HH1      ARG  33  13.093  11.691   3.374
  237   HH12  ARG  33          2HH1      ARG  33  14.488  12.507   3.997
  238   HH21  ARG  33          1HH2      ARG  33  16.203  12.509   0.949
  239   HH22  ARG  33          2HH2      ARG  33  16.257  12.972   2.616
  240    H    HIS  34           HN       HIS  34   8.768   7.840   1.812
  241    HA   HIS  34           HA       HIS  34   7.832   7.808   4.595
  242    HB2  HIS  34          2HB       HIS  34   7.431   9.953   2.548
  243    HB3  HIS  34          3HB       HIS  34   6.151   9.635   3.715
  244    HD2  HIS  34          2HD       HIS  34   8.249   9.175   6.302
  245    HE1  HIS  34          1HE       HIS  34   9.265  13.209   5.474
  246    HE2  HIS  34          2HE       HIS  34   9.423  11.323   7.136
  247    H    ARG  35           HN       ARG  35   5.247   7.947   4.452
  248    HA   ARG  35           HA       ARG  35   4.496   5.663   2.794
  249    HB2  ARG  35          2HB       ARG  35   2.306   6.080   4.284
  250    HB3  ARG  35          3HB       ARG  35   3.681   5.143   4.850
  251    HG2  ARG  35          2HG       ARG  35   2.879   6.735   6.529
  252    HG3  ARG  35          3HG       ARG  35   4.543   7.061   6.042
  253    HD2  ARG  35          2HD       ARG  35   4.005   9.113   5.378
  254    HD3  ARG  35          3HD       ARG  35   2.714   8.491   4.351
  255    HE   ARG  35           HE       ARG  35   1.270   9.329   5.890
  256   HH11  ARG  35          1HH1      ARG  35   4.198   8.418   7.538
  257   HH12  ARG  35          2HH1      ARG  35   3.626   8.906   9.098
  258   HH21  ARG  35          1HH2      ARG  35   0.505   9.974   7.939
  259   HH22  ARG  35          2HH2      ARG  35   1.525   9.789   9.327
  260    H    ASN  36           HN       ASN  36   4.836   7.848   1.244
  261    HA   ASN  36           HA       ASN  36   2.546   9.470   0.910
  262    HB2  ASN  36          2HB       ASN  36   4.953   8.832  -0.746
  263    HB3  ASN  36          3HB       ASN  36   3.596   9.658  -1.508
  264   HD21  ASN  36          1HD2      ASN  36   6.468  10.224  -0.245
  265   HD22  ASN  36          2HD2      ASN  36   6.229  11.793   0.440
  266    H    CYS  37           HN       CYS  37   1.542   9.448  -1.477
  267    HA   CYS  37           HA       CYS  37   0.401   6.755  -1.808
  268    HB2  CYS  37          2HB       CYS  37  -1.092   8.737  -1.157
  269    HB3  CYS  37          3HB       CYS  37  -0.840   9.315  -2.801
  270    HA   PRO  38           HA       PRO  38   2.912   7.391  -5.617
  271    HB2  PRO  38          2HB       PRO  38   3.639   4.784  -5.828
  272    HB3  PRO  38          3HB       PRO  38   4.511   5.945  -4.821
  273    HG2  PRO  38          2HG       PRO  38   2.465   3.912  -4.024
  274    HG3  PRO  38          3HG       PRO  38   3.989   4.339  -3.224
  275    HD2  PRO  38          2HD       PRO  38   1.588   5.261  -2.375
  276    HD3  PRO  38          3HD       PRO  38   3.083   6.207  -2.220
  277    H    ILE  39           HN       ILE  39   0.002   6.060  -4.849
  278    HA   ILE  39           HA       ILE  39  -0.419   4.709  -7.402
  279    HB   ILE  39           HB       ILE  39  -2.334   5.066  -5.094
  280   HG12  ILE  39          2HG1      ILE  39  -0.168   3.663  -4.780
  281   HG13  ILE  39          3HG1      ILE  39  -1.710   2.964  -4.299
  282   HG21  ILE  39          1HG2      ILE  39  -3.619   4.692  -7.027
  283   HG22  ILE  39          2HG2      ILE  39  -2.478   3.506  -7.656
  284   HG23  ILE  39          3HG2      ILE  39  -3.478   3.113  -6.257
  285   HD11  ILE  39          1HD1      ILE  39  -0.247   1.393  -5.509
  286   HD12  ILE  39          2HD1      ILE  39  -1.797   1.656  -6.309
  287   HD13  ILE  39          3HD1      ILE  39  -0.342   2.440  -6.925
  288    H    CYS  40           HN       CYS  40  -1.124   7.692  -5.788
  289    HA   CYS  40           HA       CYS  40  -3.208   8.471  -7.631
  290    HB2  CYS  40          2HB       CYS  40  -1.853   9.740  -5.284
  291    HB3  CYS  40          3HB       CYS  40  -2.740  10.760  -6.411
  292    H    ARG  41           HN       ARG  41   0.231   8.887  -7.290
  293    HA   ARG  41           HA       ARG  41   0.728  11.117  -8.828
  294    HB2  ARG  41          2HB       ARG  41   2.319   8.548  -8.756
  295    HB3  ARG  41          3HB       ARG  41   2.911  10.091  -9.355
  296    HG2  ARG  41          2HG       ARG  41   2.518  11.042  -7.085
  297    HG3  ARG  41          3HG       ARG  41   2.137   9.410  -6.531
  298    HD2  ARG  41          2HD       ARG  41   4.323   8.649  -6.928
  299    HD3  ARG  41          3HD       ARG  41   4.717  10.048  -7.927
  300    HE   ARG  41           HE       ARG  41   4.087  10.644  -5.169
  301   HH11  ARG  41          1HH1      ARG  41   6.571   9.913  -7.497
  302   HH12  ARG  41          2HH1      ARG  41   7.844  10.616  -6.553
  303   HH21  ARG  41          1HH2      ARG  41   5.755  11.571  -3.918
  304   HH22  ARG  41          2HH2      ARG  41   7.379  11.557  -4.517
  305    H    LEU  42           HN       LEU  42  -0.653   8.163  -9.807
  306    HA   LEU  42           HA       LEU  42   0.160   7.923 -12.455
  307    HB2  LEU  42          2HB       LEU  42  -2.364   7.215 -11.011
  308    HB3  LEU  42          3HB       LEU  42  -2.232   6.969 -12.751
  309    HG   LEU  42           HG       LEU  42  -0.349   5.745 -10.742
  310   HD11  LEU  42          1HD1      LEU  42  -1.588   3.715 -10.916
  311   HD12  LEU  42          2HD1      LEU  42  -2.671   4.413 -12.120
  312   HD13  LEU  42          3HD1      LEU  42  -2.712   4.993 -10.455
  313   HD21  LEU  42          1HD2      LEU  42  -0.216   4.163 -12.870
  314   HD22  LEU  42          2HD2      LEU  42   0.799   5.595 -12.699
  315   HD23  LEU  42          3HD2      LEU  42  -0.658   5.660 -13.690
  Start of MODEL   17
    1    H1   GLU   1           HN       GLU   1 -15.076  -7.029   4.573
    2    HA   GLU   1           HA       GLU   1 -12.961  -5.707   5.029
    3    HB2  GLU   1          2HB       GLU   1 -11.536  -7.584   5.019
    4    HB3  GLU   1          3HB       GLU   1 -13.152  -8.239   5.245
    5    HG2  GLU   1          2HG       GLU   1 -13.187  -8.616   2.736
    6    HG3  GLU   1          3HG       GLU   1 -11.456  -8.284   2.773
    7    H    GLU   2           HN       GLU   2 -11.684  -4.279   4.072
    8    HA   GLU   2           HA       GLU   2 -11.615  -4.029   1.217
    9    HB2  GLU   2          2HB       GLU   2 -10.046  -2.136   1.696
   10    HB3  GLU   2          3HB       GLU   2 -11.602  -2.012   2.506
   11    HG2  GLU   2          2HG       GLU   2  -9.918  -3.381   4.276
   12    HG3  GLU   2          3HG       GLU   2  -8.967  -2.048   3.625
   13    H    GLU   3           HN       GLU   3  -9.703  -4.039  -0.094
   14    HA   GLU   3           HA       GLU   3  -7.525  -5.708   0.976
   15    HB2  GLU   3          2HB       GLU   3  -8.612  -5.899  -1.836
   16    HB3  GLU   3          3HB       GLU   3  -7.401  -6.933  -1.090
   17    HG2  GLU   3          2HG       GLU   3  -8.930  -8.197  -0.042
   18    HG3  GLU   3          3HG       GLU   3  -9.986  -6.828   0.301
   19    H    CYS   4           HN       CYS   4  -5.494  -5.528  -0.259
   20    HA   CYS   4           HA       CYS   4  -4.758  -2.826  -0.616
   21    HB2  CYS   4          2HB       CYS   4  -3.252  -4.752   0.072
   22    HB3  CYS   4          3HB       CYS   4  -3.216  -5.215  -1.625
   23    H    CYS   5           HN       CYS   5  -3.928  -1.809  -2.538
   24    HA   CYS   5           HA       CYS   5  -5.497  -2.531  -4.893
   25    HB2  CYS   5          2HB       CYS   5  -5.737  -0.243  -4.307
   26    HB3  CYS   5          3HB       CYS   5  -4.003  -0.038  -4.090
   27    HG   CYS   5           HG       CYS   5  -5.615  -0.465  -7.078
   28    H    ILE   6           HN       ILE   6  -2.295  -2.686  -3.708
   29    HA   ILE   6           HA       ILE   6  -1.222  -3.102  -6.414
   30    HB   ILE   6           HB       ILE   6   0.289  -2.675  -3.834
   31   HG12  ILE   6          2HG1      ILE   6   0.295  -0.711  -6.079
   32   HG13  ILE   6          3HG1      ILE   6  -1.115  -0.758  -5.026
   33   HG21  ILE   6          1HG2      ILE   6   1.556  -4.006  -5.405
   34   HG22  ILE   6          2HG2      ILE   6   1.234  -2.845  -6.692
   35   HG23  ILE   6          3HG2      ILE   6   2.238  -2.382  -5.318
   36   HD11  ILE   6          1HD1      ILE   6   0.103  -0.092  -3.167
   37   HD12  ILE   6          2HD1      ILE   6   1.645  -0.542  -3.897
   38   HD13  ILE   6          3HD1      ILE   6   0.776   0.878  -4.477
   39    H    CYS   7           HN       CYS   7  -1.711  -4.611  -3.298
   40    HA   CYS   7           HA       CYS   7  -0.742  -7.149  -4.437
   41    HB2  CYS   7          2HB       CYS   7  -0.698  -6.924  -1.501
   42    HB3  CYS   7          3HB       CYS   7   0.487  -7.629  -2.597
   43    H    MET   8           HN       MET   8  -3.300  -6.564  -4.887
   44    HA   MET   8           HA       MET   8  -5.237  -7.053  -3.001
   45    HB2  MET   8          2HB       MET   8  -5.166  -6.801  -5.763
   46    HB3  MET   8          3HB       MET   8  -5.834  -8.408  -5.509
   47    HG2  MET   8          2HG       MET   8  -7.615  -7.529  -4.181
   48    HG3  MET   8          3HG       MET   8  -6.893  -5.922  -4.192
   49    HE1  MET   8          1HE       MET   8  -9.045  -8.418  -5.546
   50    HE2  MET   8          2HE       MET   8  -9.850  -7.699  -6.940
   51    HE3  MET   8          3HE       MET   8  -8.346  -8.596  -7.155
   52    H    ASP   9           HN       ASP   9  -4.603  -8.594  -1.493
   53    HA   ASP   9           HA       ASP   9  -5.489 -11.192  -1.837
   54    HB2  ASP   9          2HB       ASP   9  -3.734 -11.691  -3.346
   55    HB3  ASP   9          3HB       ASP   9  -2.541 -10.855  -2.358
   56    H    GLY  10           HN       GLY  10  -2.864  -9.352  -0.299
   57    HA2  GLY  10          1HA       GLY  10  -3.129 -10.836   2.171
   58    HA3  GLY  10          2HA       GLY  10  -2.047  -9.484   1.874
   59    H    ARG  11           HN       ARG  11  -5.290  -8.935   0.978
   60    HA   ARG  11           HA       ARG  11  -6.879  -7.510   1.768
   61    HB2  ARG  11          2HB       ARG  11  -5.945  -8.855   4.290
   62    HB3  ARG  11          3HB       ARG  11  -7.199  -7.622   4.329
   63    HG2  ARG  11          2HG       ARG  11  -8.514  -9.456   4.154
   64    HG3  ARG  11          3HG       ARG  11  -8.239  -9.159   2.436
   65    HD2  ARG  11          2HD       ARG  11  -6.593 -10.848   2.308
   66    HD3  ARG  11          3HD       ARG  11  -6.473 -10.967   4.063
   67    HE   ARG  11           HE       ARG  11  -9.054 -11.635   3.539
   68   HH11  ARG  11          1HH1      ARG  11  -5.969 -12.770   2.394
   69   HH12  ARG  11          2HH1      ARG  11  -6.520 -14.390   2.119
   70   HH21  ARG  11          1HH2      ARG  11  -9.793 -13.763   3.179
   71   HH22  ARG  11          2HH2      ARG  11  -8.696 -14.953   2.565
   72    H    ALA  12           HN       ALA  12  -7.269  -5.518   3.030
   73    HA   ALA  12           HA       ALA  12  -4.787  -3.974   3.233
   74    HB1  ALA  12          1HB       ALA  12  -6.949  -2.232   3.507
   75    HB2  ALA  12          2HB       ALA  12  -5.960  -2.490   2.069
   76    HB3  ALA  12          3HB       ALA  12  -7.449  -3.408   2.291
   77    H    ASP  13           HN       ASP  13  -4.153  -2.946   5.072
   78    HA   ASP  13           HA       ASP  13  -5.819  -3.359   7.468
   79    HB2  ASP  13          2HB       ASP  13  -3.492  -4.618   7.111
   80    HB3  ASP  13          3HB       ASP  13  -2.867  -3.100   7.752
   81    H    LEU  14           HN       LEU  14  -4.760  -1.089   5.393
   82    HA   LEU  14           HA       LEU  14  -5.107   1.029   7.351
   83    HB2  LEU  14          2HB       LEU  14  -2.537   0.280   6.329
   84    HB3  LEU  14          3HB       LEU  14  -2.952   1.895   5.758
   85    HG   LEU  14           HG       LEU  14  -3.550   1.910   8.488
   86   HD11  LEU  14          1HD1      LEU  14  -1.680   1.063   9.624
   87   HD12  LEU  14          2HD1      LEU  14  -0.783   0.799   8.129
   88   HD13  LEU  14          3HD1      LEU  14  -2.165  -0.224   8.520
   89   HD21  LEU  14          1HD2      LEU  14  -1.504   3.087   6.686
   90   HD22  LEU  14          2HD2      LEU  14  -1.255   3.235   8.426
   91   HD23  LEU  14          3HD2      LEU  14  -2.724   3.876   7.686
   92    H    ILE  15           HN       ILE  15  -6.047   2.829   6.509
   93    HA   ILE  15           HA       ILE  15  -6.516   2.831   3.598
   94    HB   ILE  15           HB       ILE  15  -8.343   3.994   5.701
   95   HG12  ILE  15          2HG1      ILE  15  -9.747   1.942   4.636
   96   HG13  ILE  15          3HG1      ILE  15  -8.121   1.272   4.551
   97   HG21  ILE  15          1HG2      ILE  15  -9.885   3.653   3.542
   98   HG22  ILE  15          2HG2      ILE  15  -8.978   5.133   3.851
   99   HG23  ILE  15          3HG2      ILE  15  -8.333   3.920   2.747
  100   HD11  ILE  15          1HD1      ILE  15  -9.625   2.174   6.986
  101   HD12  ILE  15          2HD1      ILE  15  -9.041   0.556   6.595
  102   HD13  ILE  15          3HD1      ILE  15  -7.895   1.835   6.994
  103    H    LEU  16           HN       LEU  16  -5.204   4.313   2.736
  104    HA   LEU  16           HA       LEU  16  -4.172   6.560   4.073
  105    HB2  LEU  16          2HB       LEU  16  -4.385   5.795   1.183
  106    HB3  LEU  16          3HB       LEU  16  -3.714   7.352   1.666
  107    HG   LEU  16           HG       LEU  16  -2.615   4.604   2.210
  108   HD11  LEU  16          1HD1      LEU  16  -0.848   5.211   0.859
  109   HD12  LEU  16          2HD1      LEU  16  -1.138   6.937   1.071
  110   HD13  LEU  16          3HD1      LEU  16  -2.208   5.982   0.044
  111   HD21  LEU  16          1HD2      LEU  16  -2.298   5.671   4.272
  112   HD22  LEU  16          2HD2      LEU  16  -1.960   7.228   3.515
  113   HD23  LEU  16          3HD2      LEU  16  -0.783   5.919   3.403
  114    HA   PRO  17           HA       PRO  17  -7.310   9.615   3.809
  115    HB2  PRO  17          2HB       PRO  17  -5.855  11.865   3.368
  116    HB3  PRO  17          3HB       PRO  17  -5.880  11.026   4.923
  117    HG2  PRO  17          2HG       PRO  17  -3.840  10.899   2.736
  118    HG3  PRO  17          3HG       PRO  17  -3.596  11.006   4.488
  119    HD2  PRO  17          2HD       PRO  17  -3.380   8.675   3.127
  120    HD3  PRO  17          3HD       PRO  17  -3.959   8.751   4.804
  121    H    CYS  18           HN       CYS  18  -5.683   8.574   1.144
  122    HA   CYS  18           HA       CYS  18  -6.967  10.508  -0.661
  123    HB2  CYS  18          2HB       CYS  18  -5.433   9.672  -2.388
  124    HB3  CYS  18          3HB       CYS  18  -4.551  10.253  -0.979
  125    H    ALA  19           HN       ALA  19  -7.759   7.755   0.764
  126    HA   ALA  19           HA       ALA  19  -9.450   6.267   0.344
  127    HB1  ALA  19          1HB       ALA  19  -9.665   7.104  -2.511
  128    HB2  ALA  19          2HB       ALA  19 -10.927   6.597  -1.388
  129    HB3  ALA  19          3HB       ALA  19 -10.210   8.202  -1.242
  130    H    HIS  20           HN       HIS  20  -6.663   5.689  -0.002
  131    HA   HIS  20           HA       HIS  20  -6.895   3.426  -1.861
  132    HB2  HIS  20          2HB       HIS  20  -4.561   5.328  -1.608
  133    HB3  HIS  20          3HB       HIS  20  -4.455   3.766  -2.416
  134    HD2  HIS  20          2HD       HIS  20  -7.439   4.179  -3.989
  135    HE1  HIS  20          1HE       HIS  20  -5.327   7.360  -5.838
  136    HE2  HIS  20          2HE       HIS  20  -7.379   5.901  -5.918
  137    H    SER  21           HN       SER  21  -6.616   1.580  -0.817
  138    HA   SER  21           HA       SER  21  -5.473   1.546   1.835
  139    HB2  SER  21          2HB       SER  21  -6.433  -0.545   2.078
  140    HB3  SER  21          3HB       SER  21  -7.496   0.159   0.859
  141    HG   SER  21           HG       SER  21  -6.091  -0.882  -0.717
  142    H    PHE  22           HN       PHE  22  -3.819  -0.037   2.459
  143    HA   PHE  22           HA       PHE  22  -2.076  -1.108   0.446
  144    HB2  PHE  22          2HB       PHE  22  -1.132   1.218   2.134
  145    HB3  PHE  22          3HB       PHE  22  -0.079   0.194   1.164
  146    HD1  PHE  22          1HD       PHE  22  -2.667   2.783   1.084
  147    HD2  PHE  22          2HD       PHE  22  -0.009   0.395  -1.229
  148    HE1  PHE  22          1HE       PHE  22  -3.060   4.237  -0.862
  149    HE2  PHE  22          2HE       PHE  22  -0.397   1.845  -3.178
  150    HZ   PHE  22           HZ       PHE  22  -1.923   3.769  -2.996
  151    H    CYS  23           HN       CYS  23  -1.955  -3.071   1.352
  152    HA   CYS  23           HA       CYS  23  -2.058  -3.687   4.060
  153    HB2  CYS  23          2HB       CYS  23  -1.225  -5.888   3.449
  154    HB3  CYS  23          3HB       CYS  23  -2.375  -5.331   2.236
  155    H    GLN  24           HN       GLN  24  -0.366  -4.550   5.458
  156    HA   GLN  24           HA       GLN  24   1.743  -2.778   5.838
  157    HB2  GLN  24          2HB       GLN  24   1.819  -5.633   6.787
  158    HB3  GLN  24          3HB       GLN  24   2.480  -4.203   7.571
  159    HG2  GLN  24          2HG       GLN  24  -0.409  -4.984   7.306
  160    HG3  GLN  24          3HG       GLN  24   0.551  -4.867   8.779
  161   HE21  GLN  24          1HE2      GLN  24  -1.026  -3.067   6.236
  162   HE22  GLN  24          2HE2      GLN  24  -1.089  -1.559   7.075
  163    H    LYS  25           HN       LYS  25   1.616  -5.817   4.078
  164    HA   LYS  25           HA       LYS  25   4.224  -6.473   3.703
  165    HB2  LYS  25          2HB       LYS  25   2.271  -6.382   1.405
  166    HB3  LYS  25          3HB       LYS  25   3.610  -7.498   1.637
  167    HG2  LYS  25          2HG       LYS  25   2.313  -8.196   3.778
  168    HG3  LYS  25          3HG       LYS  25   0.938  -7.448   2.964
  169    HD2  LYS  25          2HD       LYS  25   1.518  -8.894   0.962
  170    HD3  LYS  25          3HD       LYS  25   2.613  -9.770   2.034
  171    HE2  LYS  25          2HE       LYS  25  -0.082  -9.391   3.116
  172    HE3  LYS  25          3HE       LYS  25  -0.028 -10.359   1.643
  173    HZ1  LYS  25          1HZ       LYS  25   0.498 -12.044   2.973
  174    HZ2  LYS  25          2HZ       LYS  25   0.815 -11.034   4.292
  175    HZ3  LYS  25          3HZ       LYS  25   2.023 -11.332   3.147
  176    H    CYS  26           HN       CYS  26   2.532  -4.491   1.270
  177    HA   CYS  26           HA       CYS  26   4.914  -3.521   0.111
  178    HB2  CYS  26          2HB       CYS  26   3.377  -1.840  -0.982
  179    HB3  CYS  26          3HB       CYS  26   2.935  -3.527  -1.221
  180    H    ILE  27           HN       ILE  27   2.585  -1.980   2.317
  181    HA   ILE  27           HA       ILE  27   3.622   0.523   2.565
  182    HB   ILE  27           HB       ILE  27   1.846  -1.042   4.060
  183   HG12  ILE  27          2HG1      ILE  27   2.652   1.842   4.500
  184   HG13  ILE  27          3HG1      ILE  27   1.554   1.287   3.240
  185   HG21  ILE  27          1HG2      ILE  27   3.889   0.223   5.880
  186   HG22  ILE  27          2HG2      ILE  27   2.411  -0.604   6.366
  187   HG23  ILE  27          3HG2      ILE  27   3.718  -1.510   5.603
  188   HD11  ILE  27          1HD1      ILE  27   1.113   1.611   6.139
  189   HD12  ILE  27          2HD1      ILE  27   0.019   1.880   4.781
  190   HD13  ILE  27          3HD1      ILE  27   0.323   0.241   5.360
  191    H    ASP  28           HN       ASP  28   5.024  -2.446   3.702
  192    HA   ASP  28           HA       ASP  28   6.941  -1.188   5.440
  193    HB2  ASP  28          2HB       ASP  28   5.967  -3.680   5.372
  194    HB3  ASP  28          3HB       ASP  28   7.415  -3.934   4.402
  195    H    LYS  29           HN       LYS  29   6.940  -2.520   2.168
  196    HA   LYS  29           HA       LYS  29   9.709  -2.257   1.691
  197    HB2  LYS  29          2HB       LYS  29   7.327  -2.918   0.161
  198    HB3  LYS  29          3HB       LYS  29   8.456  -1.953  -0.781
  199    HG2  LYS  29          2HG       LYS  29  10.183  -3.551  -0.518
  200    HG3  LYS  29          3HG       LYS  29   9.271  -4.431   0.711
  201    HD2  LYS  29          2HD       LYS  29   8.629  -5.757  -0.976
  202    HD3  LYS  29          3HD       LYS  29   7.544  -4.436  -1.416
  203    HE2  LYS  29          2HE       LYS  29  10.370  -4.544  -2.417
  204    HE3  LYS  29          3HE       LYS  29   9.073  -5.414  -3.235
  205    HZ1  LYS  29          1HZ       LYS  29   8.586  -2.607  -2.628
  206    HZ2  LYS  29          2HZ       LYS  29   8.149  -3.512  -3.988
  207    HZ3  LYS  29          3HZ       LYS  29   9.728  -2.928  -3.834
  208    H    TRP  30           HN       TRP  30   7.121  -0.297   0.214
  209    HA   TRP  30           HA       TRP  30   8.963   1.854  -0.299
  210    HB2  TRP  30          2HB       TRP  30   7.063   2.971  -1.339
  211    HB3  TRP  30          3HB       TRP  30   7.144   1.295  -1.875
  212    HD1  TRP  30          1HD       TRP  30   5.121  -0.277  -1.285
  213    HE1  TRP  30          1HE       TRP  30   2.795   0.143  -0.266
  214    HE3  TRP  30          3HE       TRP  30   5.836   4.486   0.427
  215    HZ2  TRP  30          2HZ       TRP  30   1.442   2.221   1.084
  216    HZ3  TRP  30          3HZ       TRP  30   3.975   5.620   1.572
  217    HH2  TRP  30          2HH       TRP  30   1.824   4.509   1.892
  218    H    SER  31           HN       SER  31   9.117   3.800   0.722
  219    HA   SER  31           HA       SER  31   7.238   4.799   2.584
  220    HB2  SER  31          2HB       SER  31   9.578   3.255   3.673
  221    HB3  SER  31          3HB       SER  31   8.877   4.590   4.587
  222    HG   SER  31           HG       SER  31   7.259   3.355   5.089
  223    H    ASP  32           HN       ASP  32   8.039   6.753   3.702
  224    HA   ASP  32           HA       ASP  32  10.557   7.886   3.031
  225    HB2  ASP  32          2HB       ASP  32   8.592   8.116   1.031
  226    HB3  ASP  32          3HB       ASP  32   8.670   9.694   1.808
  227    H    ARG  33           HN       ARG  33  10.137  10.530   3.277
  228    HA   ARG  33           HA       ARG  33   9.463  10.793   6.038
  229    HB2  ARG  33          2HB       ARG  33  10.875  12.307   4.087
  230    HB3  ARG  33          3HB       ARG  33   9.634  13.347   4.773
  231    HG2  ARG  33          2HG       ARG  33  11.169  13.761   6.344
  232    HG3  ARG  33          3HG       ARG  33  10.655  12.210   7.012
  233    HD2  ARG  33          2HD       ARG  33  12.480  11.076   6.078
  234    HD3  ARG  33          3HD       ARG  33  12.830  12.389   4.953
  235    HE   ARG  33           HE       ARG  33  13.122  13.370   7.552
  236   HH11  ARG  33          1HH1      ARG  33  14.625  11.073   5.410
  237   HH12  ARG  33          2HH1      ARG  33  16.198  11.245   6.118
  238   HH21  ARG  33          1HH2      ARG  33  15.188  13.605   8.492
  239   HH22  ARG  33          2HH2      ARG  33  16.516  12.685   7.871
  240    H    HIS  34           HN       HIS  34   7.609  10.776   3.250
  241    HA   HIS  34           HA       HIS  34   5.381  12.055   4.676
  242    HB2  HIS  34          2HB       HIS  34   6.506  12.775   2.037
  243    HB3  HIS  34          3HB       HIS  34   4.751  12.670   2.115
  244    HD2  HIS  34          2HD       HIS  34   5.467  13.943   5.454
  245    HE1  HIS  34          1HE       HIS  34   5.572  17.422   3.030
  246    HE2  HIS  34          2HE       HIS  34   5.525  16.528   5.383
  247    H    ARG  35           HN       ARG  35   3.314  11.641   3.086
  248    HA   ARG  35           HA       ARG  35   3.284   8.723   2.697
  249    HB2  ARG  35          2HB       ARG  35   1.313  10.653   3.791
  250    HB3  ARG  35          3HB       ARG  35   0.669   9.330   2.827
  251    HG2  ARG  35          2HG       ARG  35   0.839   7.960   4.552
  252    HG3  ARG  35          3HG       ARG  35   2.573   8.273   4.659
  253    HD2  ARG  35          2HD       ARG  35   2.280  10.016   6.189
  254    HD3  ARG  35          3HD       ARG  35   0.571  10.192   5.797
  255    HE   ARG  35           HE       ARG  35   0.090   8.548   7.314
  256   HH11  ARG  35          1HH1      ARG  35   3.495   8.476   6.593
  257   HH12  ARG  35          2HH1      ARG  35   3.866   7.319   7.828
  258   HH21  ARG  35          1HH2      ARG  35   0.565   7.024   8.944
  259   HH22  ARG  35          2HH2      ARG  35   2.198   6.493   9.164
  260    H    ASN  36           HN       ASN  36   4.316  10.046   0.607
  261    HA   ASN  36           HA       ASN  36   2.401  10.933  -1.298
  262    HB2  ASN  36          2HB       ASN  36   5.220   9.934  -1.760
  263    HB3  ASN  36          3HB       ASN  36   4.253  10.869  -2.897
  264   HD21  ASN  36          1HD2      ASN  36   5.504  12.648  -3.030
  265   HD22  ASN  36          2HD2      ASN  36   5.833  13.705  -1.704
  266    H    CYS  37           HN       CYS  37   0.868   9.155  -1.112
  267    HA   CYS  37           HA       CYS  37   1.260   6.504  -1.620
  268    HB2  CYS  37          2HB       CYS  37  -0.937   7.014  -1.115
  269    HB3  CYS  37          3HB       CYS  37  -0.990   8.373  -2.232
  270    HA   PRO  38           HA       PRO  38   2.818   6.131  -5.719
  271    HB2  PRO  38          2HB       PRO  38   2.023   3.591  -6.258
  272    HB3  PRO  38          3HB       PRO  38   3.354   3.968  -5.158
  273    HG2  PRO  38          2HG       PRO  38   0.508   3.289  -4.525
  274    HG3  PRO  38          3HG       PRO  38   1.994   2.725  -3.739
  275    HD2  PRO  38          2HD       PRO  38   0.451   4.692  -2.698
  276    HD3  PRO  38          3HD       PRO  38   2.214   4.651  -2.491
  277    H    ILE  39           HN       ILE  39  -0.443   4.731  -5.316
  278    HA   ILE  39           HA       ILE  39  -1.268   4.882  -7.956
  279    HB   ILE  39           HB       ILE  39  -3.042   5.320  -5.553
  280   HG12  ILE  39          2HG1      ILE  39  -1.694   3.302  -5.257
  281   HG13  ILE  39          3HG1      ILE  39  -3.370   2.875  -5.585
  282   HG21  ILE  39          1HG2      ILE  39  -4.711   5.395  -7.010
  283   HG22  ILE  39          2HG2      ILE  39  -3.566   5.241  -8.342
  284   HG23  ILE  39          3HG2      ILE  39  -4.263   3.797  -7.609
  285   HD11  ILE  39          1HD1      ILE  39  -2.160   2.943  -8.081
  286   HD12  ILE  39          2HD1      ILE  39  -0.978   2.174  -7.021
  287   HD13  ILE  39          3HD1      ILE  39  -2.607   1.514  -7.151
  288    H    CYS  40           HN       CYS  40  -1.059   7.391  -5.541
  289    HA   CYS  40           HA       CYS  40  -2.628   9.295  -7.015
  290    HB2  CYS  40          2HB       CYS  40  -0.848   9.506  -4.590
  291    HB3  CYS  40          3HB       CYS  40  -1.618  10.914  -5.313
  292    H    ARG  41           HN       ARG  41   0.671   8.291  -6.957
  293    HA   ARG  41           HA       ARG  41   1.754  10.675  -8.127
  294    HB2  ARG  41          2HB       ARG  41   3.485   9.620  -7.116
  295    HB3  ARG  41          3HB       ARG  41   2.760   8.029  -7.309
  296    HG2  ARG  41          2HG       ARG  41   3.582   7.810  -9.508
  297    HG3  ARG  41          3HG       ARG  41   4.013   9.519  -9.594
  298    HD2  ARG  41          2HD       ARG  41   5.739   9.199  -7.922
  299    HD3  ARG  41          3HD       ARG  41   5.269   7.511  -7.728
  300    HE   ARG  41           HE       ARG  41   5.863   7.612 -10.335
  301   HH11  ARG  41          1HH1      ARG  41   7.566   8.780  -7.531
  302   HH12  ARG  41          2HH1      ARG  41   9.135   8.577  -8.239
  303   HH21  ARG  41          1HH2      ARG  41   7.923   7.340 -11.276
  304   HH22  ARG  41          2HH2      ARG  41   9.337   7.760 -10.370
  305    H    LEU  42           HN       LEU  42   0.131   7.893  -9.304
  306    HA   LEU  42           HA       LEU  42   1.199   7.744 -11.905
  307    HB2  LEU  42          2HB       LEU  42  -1.007   6.607 -10.433
  308    HB3  LEU  42          3HB       LEU  42  -1.491   7.009 -12.080
  309    HG   LEU  42           HG       LEU  42   0.965   5.372 -11.524
  310   HD11  LEU  42          1HD1      LEU  42  -0.187   3.499 -11.128
  311   HD12  LEU  42          2HD1      LEU  42  -1.435   3.902 -12.308
  312   HD13  LEU  42          3HD1      LEU  42  -1.509   4.578 -10.680
  313   HD21  LEU  42          1HD2      LEU  42   0.128   4.472 -13.824
  314   HD22  LEU  42          2HD2      LEU  42   0.998   6.003 -13.739
  315   HD23  LEU  42          3HD2      LEU  42  -0.760   5.995 -13.880
  Start of MODEL   18
    1    H1   GLU   1           HN       GLU   1 -14.443  -5.245   6.194
    2    HA   GLU   1           HA       GLU   1 -12.412  -6.779   5.420
    3    HB2  GLU   1          2HB       GLU   1 -13.999  -7.882   3.744
    4    HB3  GLU   1          3HB       GLU   1 -14.535  -7.787   5.416
    5    HG2  GLU   1          2HG       GLU   1 -15.606  -5.521   4.522
    6    HG3  GLU   1          3HG       GLU   1 -15.572  -6.423   3.007
    7    H    GLU   2           HN       GLU   2 -11.452  -4.405   4.553
    8    HA   GLU   2           HA       GLU   2 -11.660  -4.239   1.670
    9    HB2  GLU   2          2HB       GLU   2 -10.226  -2.661   3.779
   10    HB3  GLU   2          3HB       GLU   2  -9.788  -2.474   2.088
   11    HG2  GLU   2          2HG       GLU   2 -11.321  -0.804   2.312
   12    HG3  GLU   2          3HG       GLU   2 -12.359  -2.122   1.772
   13    H    GLU   3           HN       GLU   3  -9.668  -4.185   0.329
   14    HA   GLU   3           HA       GLU   3  -7.559  -5.966   1.332
   15    HB2  GLU   3          2HB       GLU   3  -8.936  -6.243  -1.347
   16    HB3  GLU   3          3HB       GLU   3  -7.556  -7.187  -0.805
   17    HG2  GLU   3          2HG       GLU   3  -9.078  -7.869   1.159
   18    HG3  GLU   3          3HG       GLU   3 -10.390  -7.283   0.138
   19    H    CYS   4           HN       CYS   4  -5.516  -5.593   0.524
   20    HA   CYS   4           HA       CYS   4  -4.691  -3.088  -0.088
   21    HB2  CYS   4          2HB       CYS   4  -3.259  -5.131   0.395
   22    HB3  CYS   4          3HB       CYS   4  -3.389  -5.517  -1.317
   23    H    CYS   5           HN       CYS   5  -4.090  -1.957  -1.981
   24    HA   CYS   5           HA       CYS   5  -5.795  -2.587  -4.269
   25    HB2  CYS   5          2HB       CYS   5  -5.974  -0.330  -3.376
   26    HB3  CYS   5          3HB       CYS   5  -4.242  -0.087  -3.571
   27    HG   CYS   5           HG       CYS   5  -5.521  -0.946  -6.468
   28    H    ILE   6           HN       ILE   6  -2.413  -2.047  -3.437
   29    HA   ILE   6           HA       ILE   6  -1.427  -2.218  -6.100
   30    HB   ILE   6           HB       ILE   6  -0.097  -2.480  -3.414
   31   HG12  ILE   6          2HG1      ILE   6   0.021  -0.407  -5.614
   32   HG13  ILE   6          3HG1      ILE   6  -0.776  -0.233  -4.055
   33   HG21  ILE   6          1HG2      ILE   6   1.474  -3.706  -4.447
   34   HG22  ILE   6          2HG2      ILE   6   0.915  -3.248  -6.056
   35   HG23  ILE   6          3HG2      ILE   6   1.971  -2.166  -5.148
   36   HD11  ILE   6          1HD1      ILE   6   2.054   0.031  -4.773
   37   HD12  ILE   6          2HD1      ILE   6   1.122   0.814  -3.496
   38   HD13  ILE   6          3HD1      ILE   6   1.734  -0.823  -3.265
   39    H    CYS   7           HN       CYS   7  -0.799  -4.489  -3.426
   40    HA   CYS   7           HA       CYS   7  -0.363  -6.637  -5.308
   41    HB2  CYS   7          2HB       CYS   7   0.382  -7.917  -3.451
   42    HB3  CYS   7          3HB       CYS   7   0.970  -6.280  -3.178
   43    H    MET   8           HN       MET   8  -2.878  -5.561  -3.149
   44    HA   MET   8           HA       MET   8  -4.877  -6.522  -2.516
   45    HB2  MET   8          2HB       MET   8  -5.047  -5.558  -4.927
   46    HB3  MET   8          3HB       MET   8  -5.146  -7.244  -5.416
   47    HG2  MET   8          2HG       MET   8  -6.985  -7.133  -3.407
   48    HG3  MET   8          3HG       MET   8  -7.134  -5.535  -4.135
   49    HE1  MET   8          1HE       MET   8  -9.041  -5.699  -6.941
   50    HE2  MET   8          2HE       MET   8  -9.977  -6.303  -5.573
   51    HE3  MET   8          3HE       MET   8  -8.723  -5.089  -5.317
   52    H    ASP   9           HN       ASP   9  -3.001  -8.341  -1.878
   53    HA   ASP   9           HA       ASP   9  -4.297 -10.876  -2.607
   54    HB2  ASP   9          2HB       ASP   9  -1.822 -10.215  -3.548
   55    HB3  ASP   9          3HB       ASP   9  -1.408 -11.055  -2.056
   56    H    GLY  10           HN       GLY  10  -5.188  -9.774  -0.423
   57    HA2  GLY  10          1HA       GLY  10  -4.770 -11.553   1.628
   58    HA3  GLY  10          2HA       GLY  10  -3.613 -10.261   1.918
   59    H    ARG  11           HN       ARG  11  -4.297  -8.357   2.773
   60    HA   ARG  11           HA       ARG  11  -7.132  -7.746   2.895
   61    HB2  ARG  11          2HB       ARG  11  -7.276  -7.649   5.282
   62    HB3  ARG  11          3HB       ARG  11  -6.665  -9.240   4.851
   63    HG2  ARG  11          2HG       ARG  11  -4.739  -7.059   5.506
   64    HG3  ARG  11          3HG       ARG  11  -5.590  -7.898   6.805
   65    HD2  ARG  11          2HD       ARG  11  -4.799 -10.055   5.706
   66    HD3  ARG  11          3HD       ARG  11  -3.716  -9.042   4.754
   67    HE   ARG  11           HE       ARG  11  -3.442  -8.482   7.517
   68   HH11  ARG  11          1HH1      ARG  11  -2.629 -10.845   5.093
   69   HH12  ARG  11          2HH1      ARG  11  -1.211 -11.398   5.921
   70   HH21  ARG  11          1HH2      ARG  11  -1.577  -9.201   8.617
   71   HH22  ARG  11          2HH2      ARG  11  -0.614 -10.463   7.925
   72    H    ALA  12           HN       ALA  12  -7.474  -5.618   4.090
   73    HA   ALA  12           HA       ALA  12  -5.187  -3.830   3.568
   74    HB1  ALA  12          1HB       ALA  12  -8.122  -3.228   3.224
   75    HB2  ALA  12          2HB       ALA  12  -6.800  -2.087   2.973
   76    HB3  ALA  12          3HB       ALA  12  -6.957  -3.501   1.930
   77    H    ASP  13           HN       ASP  13  -4.356  -3.427   5.535
   78    HA   ASP  13           HA       ASP  13  -6.139  -2.933   7.792
   79    HB2  ASP  13          2HB       ASP  13  -3.963  -4.382   7.819
   80    HB3  ASP  13          3HB       ASP  13  -3.147  -2.828   7.965
   81    H    LEU  14           HN       LEU  14  -4.191  -1.236   5.523
   82    HA   LEU  14           HA       LEU  14  -4.611   1.259   7.036
   83    HB2  LEU  14          2HB       LEU  14  -2.206   0.134   6.057
   84    HB3  LEU  14          3HB       LEU  14  -2.555   1.559   5.080
   85    HG   LEU  14           HG       LEU  14  -1.144   2.284   6.824
   86   HD11  LEU  14          1HD1      LEU  14  -3.809   2.991   7.976
   87   HD12  LEU  14          2HD1      LEU  14  -3.367   3.541   6.360
   88   HD13  LEU  14          3HD1      LEU  14  -2.380   4.000   7.748
   89   HD21  LEU  14          1HD2      LEU  14  -2.404   0.204   8.301
   90   HD22  LEU  14          2HD2      LEU  14  -2.567   1.711   9.203
   91   HD23  LEU  14          3HD2      LEU  14  -0.970   1.142   8.716
   92    H    ILE  15           HN       ILE  15  -5.892   2.693   6.089
   93    HA   ILE  15           HA       ILE  15  -6.268   2.527   3.169
   94    HB   ILE  15           HB       ILE  15  -8.355   3.407   5.165
   95   HG12  ILE  15          2HG1      ILE  15  -9.314   1.115   4.024
   96   HG13  ILE  15          3HG1      ILE  15  -7.598   0.744   4.162
   97   HG21  ILE  15          1HG2      ILE  15  -9.376   2.558   2.637
   98   HG22  ILE  15          2HG2      ILE  15  -9.503   4.136   3.413
   99   HG23  ILE  15          3HG2      ILE  15  -8.121   3.770   2.381
  100   HD11  ILE  15          1HD1      ILE  15  -9.620   1.198   6.286
  101   HD12  ILE  15          2HD1      ILE  15  -8.353  -0.023   6.167
  102   HD13  ILE  15          3HD1      ILE  15  -7.941   1.633   6.608
  103    H    LEU  16           HN       LEU  16  -4.612   4.102   2.885
  104    HA   LEU  16           HA       LEU  16  -4.227   6.509   4.041
  105    HB2  LEU  16          2HB       LEU  16  -4.178   5.809   1.117
  106    HB3  LEU  16          3HB       LEU  16  -3.640   7.371   1.730
  107    HG   LEU  16           HG       LEU  16  -2.422   4.675   2.319
  108   HD11  LEU  16          1HD1      LEU  16  -0.660   6.693   1.284
  109   HD12  LEU  16          2HD1      LEU  16  -2.038   6.468   0.206
  110   HD13  LEU  16          3HD1      LEU  16  -1.029   5.091   0.645
  111   HD21  LEU  16          1HD2      LEU  16  -2.255   7.236   3.727
  112   HD22  LEU  16          2HD2      LEU  16  -0.692   6.545   3.290
  113   HD23  LEU  16          3HD2      LEU  16  -1.828   5.611   4.266
  114    HA   PRO  17           HA       PRO  17  -7.752   9.078   3.547
  115    HB2  PRO  17          2HB       PRO  17  -6.599  11.519   3.265
  116    HB3  PRO  17          3HB       PRO  17  -6.640  10.648   4.802
  117    HG2  PRO  17          2HG       PRO  17  -4.421  10.864   2.804
  118    HG3  PRO  17          3HG       PRO  17  -4.347  10.961   4.573
  119    HD2  PRO  17          2HD       PRO  17  -3.683   8.719   3.209
  120    HD3  PRO  17          3HD       PRO  17  -4.411   8.672   4.828
  121    H    CYS  18           HN       CYS  18  -5.768   8.341   1.026
  122    HA   CYS  18           HA       CYS  18  -7.083  10.158  -0.867
  123    HB2  CYS  18          2HB       CYS  18  -5.359   9.569  -2.442
  124    HB3  CYS  18          3HB       CYS  18  -4.591   9.974  -0.910
  125    H    ALA  19           HN       ALA  19  -7.599   7.209   0.449
  126    HA   ALA  19           HA       ALA  19  -9.149   5.603  -0.084
  127    HB1  ALA  19          1HB       ALA  19 -10.016   7.574  -1.628
  128    HB2  ALA  19          2HB       ALA  19  -9.438   6.496  -2.900
  129    HB3  ALA  19          3HB       ALA  19 -10.659   5.935  -1.757
  130    H    HIS  20           HN       HIS  20  -6.562   4.937  -0.114
  131    HA   HIS  20           HA       HIS  20  -6.455   2.930  -2.221
  132    HB2  HIS  20          2HB       HIS  20  -4.406   5.089  -1.824
  133    HB3  HIS  20          3HB       HIS  20  -3.934   3.519  -2.467
  134    HD2  HIS  20          2HD       HIS  20  -6.760   3.315  -4.376
  135    HE1  HIS  20          1HE       HIS  20  -4.923   6.620  -6.300
  136    HE2  HIS  20          2HE       HIS  20  -6.721   4.862  -6.449
  137    H    SER  21           HN       SER  21  -6.500   1.173  -0.955
  138    HA   SER  21           HA       SER  21  -5.381   1.010   1.631
  139    HB2  SER  21          2HB       SER  21  -5.709  -1.490   1.299
  140    HB3  SER  21          3HB       SER  21  -7.150  -0.496   1.095
  141    HG   SER  21           HG       SER  21  -5.689  -0.878  -1.206
  142    H    PHE  22           HN       PHE  22  -3.611  -0.317   2.350
  143    HA   PHE  22           HA       PHE  22  -1.643  -1.216   0.455
  144    HB2  PHE  22          2HB       PHE  22  -1.018   1.150   2.233
  145    HB3  PHE  22          3HB       PHE  22   0.163   0.264   1.274
  146    HD1  PHE  22          1HD       PHE  22  -2.145   2.960   1.326
  147    HD2  PHE  22          2HD       PHE  22  -0.209   0.191  -1.262
  148    HE1  PHE  22          1HE       PHE  22  -2.602   4.437  -0.588
  149    HE2  PHE  22          2HE       PHE  22  -0.661   1.664  -3.181
  150    HZ   PHE  22           HZ       PHE  22  -1.859   3.790  -2.845
  151    H    CYS  23           HN       CYS  23  -1.981  -3.180   1.554
  152    HA   CYS  23           HA       CYS  23  -1.988  -3.746   4.207
  153    HB2  CYS  23          2HB       CYS  23  -1.210  -5.946   3.682
  154    HB3  CYS  23          3HB       CYS  23  -2.164  -5.393   2.310
  155    H    GLN  24           HN       GLN  24  -0.521  -4.039   5.850
  156    HA   GLN  24           HA       GLN  24   1.532  -2.402   6.290
  157    HB2  GLN  24          2HB       GLN  24   0.953  -3.800   8.076
  158    HB3  GLN  24          3HB       GLN  24   1.193  -5.263   7.131
  159    HG2  GLN  24          2HG       GLN  24   2.964  -5.115   8.703
  160    HG3  GLN  24          3HG       GLN  24   3.632  -4.767   7.109
  161   HE21  GLN  24          1HE2      GLN  24   5.063  -3.205   7.151
  162   HE22  GLN  24          2HE2      GLN  24   5.030  -1.810   8.171
  163    H    LYS  25           HN       LYS  25   2.107  -5.681   5.003
  164    HA   LYS  25           HA       LYS  25   4.744  -5.659   4.501
  165    HB2  LYS  25          2HB       LYS  25   2.647  -6.586   2.529
  166    HB3  LYS  25          3HB       LYS  25   4.335  -7.080   2.533
  167    HG2  LYS  25          2HG       LYS  25   2.441  -7.573   4.818
  168    HG3  LYS  25          3HG       LYS  25   2.759  -8.733   3.526
  169    HD2  LYS  25          2HD       LYS  25   5.090  -8.841   4.136
  170    HD3  LYS  25          3HD       LYS  25   4.872  -7.563   5.334
  171    HE2  LYS  25          2HE       LYS  25   4.864  -9.541   6.583
  172    HE3  LYS  25          3HE       LYS  25   3.160  -9.120   6.419
  173    HZ1  LYS  25          1HZ       LYS  25   4.142 -10.803   4.304
  174    HZ2  LYS  25          2HZ       LYS  25   2.749 -10.958   5.249
  175    HZ3  LYS  25          3HZ       LYS  25   4.231 -11.528   5.830
  176    H    CYS  26           HN       CYS  26   2.422  -4.528   2.036
  177    HA   CYS  26           HA       CYS  26   4.266  -3.430   0.284
  178    HB2  CYS  26          2HB       CYS  26   1.388  -2.759   0.862
  179    HB3  CYS  26          3HB       CYS  26   2.300  -1.894  -0.371
  180    H    ILE  27           HN       ILE  27   2.579  -1.869   2.989
  181    HA   ILE  27           HA       ILE  27   3.512   0.721   2.656
  182    HB   ILE  27           HB       ILE  27   2.202  -0.752   4.729
  183   HG12  ILE  27          2HG1      ILE  27   2.532   2.238   4.579
  184   HG13  ILE  27          3HG1      ILE  27   1.540   1.361   3.419
  185   HG21  ILE  27          1HG2      ILE  27   3.096   0.429   6.693
  186   HG22  ILE  27          2HG2      ILE  27   4.287  -0.642   5.959
  187   HG23  ILE  27          3HG2      ILE  27   4.382   1.098   5.688
  188   HD11  ILE  27          1HD1      ILE  27  -0.041   0.805   4.997
  189   HD12  ILE  27          2HD1      ILE  27   1.083   0.998   6.343
  190   HD13  ILE  27          3HD1      ILE  27   0.450   2.419   5.512
  191    H    ASP  28           HN       ASP  28   5.142  -2.097   3.892
  192    HA   ASP  28           HA       ASP  28   7.399  -0.523   4.856
  193    HB2  ASP  28          2HB       ASP  28   6.573  -2.481   6.158
  194    HB3  ASP  28          3HB       ASP  28   7.044  -3.528   4.820
  195    H    LYS  29           HN       LYS  29   6.496  -2.596   2.195
  196    HA   LYS  29           HA       LYS  29   9.162  -2.862   1.160
  197    HB2  LYS  29          2HB       LYS  29   6.500  -3.848   0.498
  198    HB3  LYS  29          3HB       LYS  29   7.419  -3.400  -0.932
  199    HG2  LYS  29          2HG       LYS  29   8.638  -5.243  -0.801
  200    HG3  LYS  29          3HG       LYS  29   9.064  -4.908   0.878
  201    HD2  LYS  29          2HD       LYS  29   6.512  -5.732   1.182
  202    HD3  LYS  29          3HD       LYS  29   6.979  -6.671  -0.238
  203    HE2  LYS  29          2HE       LYS  29   8.795  -7.676   0.925
  204    HE3  LYS  29          3HE       LYS  29   8.620  -6.566   2.285
  205    HZ1  LYS  29          1HZ       LYS  29   6.808  -7.678   3.081
  206    HZ2  LYS  29          2HZ       LYS  29   7.659  -8.971   2.399
  207    HZ3  LYS  29          3HZ       LYS  29   6.354  -8.286   1.569
  208    H    TRP  30           HN       TRP  30   6.255  -1.256  -0.148
  209    HA   TRP  30           HA       TRP  30   7.834   0.323  -1.958
  210    HB2  TRP  30          2HB       TRP  30   4.899   0.563  -1.265
  211    HB3  TRP  30          3HB       TRP  30   5.706   1.302  -2.645
  212    HD1  TRP  30          1HD       TRP  30   4.161  -1.946  -1.481
  213    HE1  TRP  30          1HE       TRP  30   4.156  -3.630  -3.427
  214    HE3  TRP  30          3HE       TRP  30   7.104   0.619  -4.783
  215    HZ2  TRP  30          2HZ       TRP  30   5.254  -3.844  -6.018
  216    HZ3  TRP  30          3HZ       TRP  30   7.579  -0.396  -6.973
  217    HH2  TRP  30          2HH       TRP  30   6.673  -2.582  -7.576
  218    H    SER  31           HN       SER  31   9.142   1.181  -0.079
  219    HA   SER  31           HA       SER  31   7.873   3.234   1.515
  220    HB2  SER  31          2HB       SER  31   9.649   1.860   2.502
  221    HB3  SER  31          3HB       SER  31  10.786   2.437   1.283
  222    HG   SER  31           HG       SER  31  10.725   3.520   3.447
  223    H    ASP  32           HN       ASP  32   8.573   5.455   1.531
  224    HA   ASP  32           HA       ASP  32  10.107   6.482  -0.675
  225    HB2  ASP  32          2HB       ASP  32   7.872   8.020  -1.068
  226    HB3  ASP  32          3HB       ASP  32   8.356   6.665  -2.084
  227    H    ARG  33           HN       ARG  33  10.449   8.796  -0.528
  228    HA   ARG  33           HA       ARG  33  10.917   9.671   2.087
  229    HB2  ARG  33          2HB       ARG  33  12.002  11.380   1.098
  230    HB3  ARG  33          3HB       ARG  33  11.697  10.497  -0.392
  231    HG2  ARG  33          2HG       ARG  33  10.916  12.535  -1.007
  232    HG3  ARG  33          3HG       ARG  33   9.437  11.868  -0.314
  233    HD2  ARG  33          2HD       ARG  33  11.065  14.113   0.563
  234    HD3  ARG  33          3HD       ARG  33   9.392  13.708   0.952
  235    HE   ARG  33           HE       ARG  33  10.720  11.956   2.461
  236   HH11  ARG  33          1HH1      ARG  33  11.189  15.372   1.977
  237   HH12  ARG  33          2HH1      ARG  33  11.829  15.642   3.564
  238   HH21  ARG  33          1HH2      ARG  33  11.562  12.299   4.554
  239   HH22  ARG  33          2HH2      ARG  33  12.042  13.893   5.029
  240    H    HIS  34           HN       HIS  34   8.136   9.988   0.025
  241    HA   HIS  34           HA       HIS  34   6.842  11.696   2.046
  242    HB2  HIS  34          2HB       HIS  34   5.204  11.789  -0.168
  243    HB3  HIS  34          3HB       HIS  34   6.394  13.010   0.277
  244    HD2  HIS  34          2HD       HIS  34   6.442   9.731  -1.956
  245    HE1  HIS  34          1HE       HIS  34   9.015  12.656  -3.633
  246    HE2  HIS  34          2HE       HIS  34   7.971  10.384  -3.936
  247    H    ARG  35           HN       ARG  35   5.141  10.918   3.128
  248    HA   ARG  35           HA       ARG  35   4.367   8.181   2.756
  249    HB2  ARG  35          2HB       ARG  35   3.588  10.355   4.673
  250    HB3  ARG  35          3HB       ARG  35   2.665   8.861   4.603
  251    HG2  ARG  35          2HG       ARG  35   4.825   7.633   4.987
  252    HG3  ARG  35          3HG       ARG  35   5.564   9.202   5.314
  253    HD2  ARG  35          2HD       ARG  35   4.982   8.675   7.440
  254    HD3  ARG  35          3HD       ARG  35   3.452   9.391   6.933
  255    HE   ARG  35           HE       ARG  35   3.463   6.627   6.358
  256   HH11  ARG  35          1HH1      ARG  35   3.261   8.852   9.029
  257   HH12  ARG  35          2HH1      ARG  35   2.343   7.773  10.026
  258   HH21  ARG  35          1HH2      ARG  35   2.254   5.199   7.662
  259   HH22  ARG  35          2HH2      ARG  35   1.771   5.696   9.248
  260    H    ASN  36           HN       ASN  36   3.597  10.742   0.984
  261    HA   ASN  36           HA       ASN  36   0.864  10.996   0.843
  262    HB2  ASN  36          2HB       ASN  36   3.034  11.177  -1.216
  263    HB3  ASN  36          3HB       ASN  36   1.351  11.304  -1.717
  264   HD21  ASN  36          1HD2      ASN  36   3.288  12.515   1.001
  265   HD22  ASN  36          2HD2      ASN  36   2.791  14.162   0.841
  266    H    CYS  37           HN       CYS  37   2.208   9.371  -1.934
  267    HA   CYS  37           HA       CYS  37   1.434   6.761  -1.556
  268    HB2  CYS  37          2HB       CYS  37  -0.818   7.177  -1.212
  269    HB3  CYS  37          3HB       CYS  37  -0.837   8.555  -2.308
  270    HA   PRO  38           HA       PRO  38   3.341   6.607  -5.520
  271    HB2  PRO  38          2HB       PRO  38   2.718   4.053  -6.200
  272    HB3  PRO  38          3HB       PRO  38   3.937   4.453  -4.983
  273    HG2  PRO  38          2HG       PRO  38   1.085   3.620  -4.608
  274    HG3  PRO  38          3HG       PRO  38   2.529   3.099  -3.719
  275    HD2  PRO  38          2HD       PRO  38   0.812   4.955  -2.750
  276    HD3  PRO  38          3HD       PRO  38   2.551   4.989  -2.399
  277    H    ILE  39           HN       ILE  39   0.060   5.229  -5.328
  278    HA   ILE  39           HA       ILE  39  -0.564   5.317  -8.039
  279    HB   ILE  39           HB       ILE  39  -2.670   5.924  -6.003
  280   HG12  ILE  39          2HG1      ILE  39  -1.005   3.440  -6.198
  281   HG13  ILE  39          3HG1      ILE  39  -1.584   4.281  -4.764
  282   HG21  ILE  39          1HG2      ILE  39  -2.781   3.862  -8.166
  283   HG22  ILE  39          2HG2      ILE  39  -4.092   4.781  -7.428
  284   HG23  ILE  39          3HG2      ILE  39  -2.984   5.571  -8.550
  285   HD11  ILE  39          1HD1      ILE  39  -3.923   3.536  -5.578
  286   HD12  ILE  39          2HD1      ILE  39  -3.020   2.364  -6.540
  287   HD13  ILE  39          3HD1      ILE  39  -2.865   2.371  -4.783
  288    H    CYS  40           HN       CYS  40  -1.778   7.632  -5.610
  289    HA   CYS  40           HA       CYS  40  -2.721   9.540  -7.371
  290    HB2  CYS  40          2HB       CYS  40  -1.495  10.046  -4.651
  291    HB3  CYS  40          3HB       CYS  40  -2.585  11.128  -5.513
  292    H    ARG  41           HN       ARG  41   0.506   8.682  -6.727
  293    HA   ARG  41           HA       ARG  41   1.674  11.220  -7.431
  294    HB2  ARG  41          2HB       ARG  41   2.629   8.592  -6.531
  295    HB3  ARG  41          3HB       ARG  41   3.695   9.387  -7.682
  296    HG2  ARG  41          2HG       ARG  41   3.651  11.404  -6.212
  297    HG3  ARG  41          3HG       ARG  41   2.766  10.444  -5.025
  298    HD2  ARG  41          2HD       ARG  41   4.625   9.427  -4.330
  299    HD3  ARG  41          3HD       ARG  41   5.134   9.075  -5.981
  300    HE   ARG  41           HE       ARG  41   5.978  11.285  -4.332
  301   HH11  ARG  41          1HH1      ARG  41   5.681  10.046  -7.572
  302   HH12  ARG  41          2HH1      ARG  41   6.927  11.065  -8.214
  303   HH21  ARG  41          1HH2      ARG  41   7.619  12.631  -5.167
  304   HH22  ARG  41          2HH2      ARG  41   8.029  12.534  -6.845
  305    H    LEU  42           HN       LEU  42   0.771   8.276  -9.059
  306    HA   LEU  42           HA       LEU  42   2.283   8.781 -11.438
  307    HB2  LEU  42          2HB       LEU  42  -0.144   7.047 -11.397
  308    HB3  LEU  42          3HB       LEU  42   1.366   6.836 -12.280
  309    HG   LEU  42           HG       LEU  42   0.823   6.265  -9.375
  310   HD11  LEU  42          1HD1      LEU  42   2.162   4.320 -11.118
  311   HD12  LEU  42          2HD1      LEU  42   0.491   4.686 -11.548
  312   HD13  LEU  42          3HD1      LEU  42   0.876   4.092  -9.932
  313   HD21  LEU  42          1HD2      LEU  42   3.261   5.553  -9.372
  314   HD22  LEU  42          2HD2      LEU  42   2.941   7.286  -9.319
  315   HD23  LEU  42          3HD2      LEU  42   3.439   6.527 -10.831
  Start of MODEL   19
    1    H1   GLU   1           HN       GLU   1 -14.896  -3.211   3.746
    2    HA   GLU   1           HA       GLU   1 -13.810  -5.931   3.467
    3    HB2  GLU   1          2HB       GLU   1 -16.367  -4.815   2.415
    4    HB3  GLU   1          3HB       GLU   1 -15.481  -5.949   1.405
    5    HG2  GLU   1          2HG       GLU   1 -15.494  -7.176   3.868
    6    HG3  GLU   1          3HG       GLU   1 -17.085  -6.421   3.776
    7    H    GLU   2           HN       GLU   2 -12.131  -3.872   3.216
    8    HA   GLU   2           HA       GLU   2 -11.950  -3.246   0.355
    9    HB2  GLU   2          2HB       GLU   2 -10.340  -2.091   2.637
   10    HB3  GLU   2          3HB       GLU   2 -10.370  -1.518   0.975
   11    HG2  GLU   2          2HG       GLU   2 -13.004  -1.609   2.219
   12    HG3  GLU   2          3HG       GLU   2 -11.871  -0.533   3.035
   13    H    GLU   3           HN       GLU   3  -9.628  -3.155  -0.487
   14    HA   GLU   3           HA       GLU   3  -7.937  -5.258   0.639
   15    HB2  GLU   3          2HB       GLU   3  -8.677  -5.208  -2.288
   16    HB3  GLU   3          3HB       GLU   3  -7.699  -6.411  -1.459
   17    HG2  GLU   3          2HG       GLU   3  -9.576  -7.254  -0.281
   18    HG3  GLU   3          3HG       GLU   3 -10.586  -5.905  -0.803
   19    H    CYS   4           HN       CYS   4  -5.760  -5.289  -0.338
   20    HA   CYS   4           HA       CYS   4  -4.606  -2.744  -0.378
   21    HB2  CYS   4          2HB       CYS   4  -3.430  -4.902   0.142
   22    HB3  CYS   4          3HB       CYS   4  -3.423  -5.252  -1.583
   23    H    CYS   5           HN       CYS   5  -4.097  -1.325  -1.956
   24    HA   CYS   5           HA       CYS   5  -5.279  -1.765  -4.570
   25    HB2  CYS   5          2HB       CYS   5  -5.012   0.460  -2.955
   26    HB3  CYS   5          3HB       CYS   5  -3.795   0.729  -4.198
   27    HG   CYS   5           HG       CYS   5  -6.719  -0.238  -5.467
   28    H    ILE   6           HN       ILE   6  -3.069  -3.416  -4.031
   29    HA   ILE   6           HA       ILE   6  -1.378  -2.693  -6.267
   30    HB   ILE   6           HB       ILE   6  -0.222  -3.059  -3.502
   31   HG12  ILE   6          2HG1      ILE   6  -0.172  -0.766  -5.474
   32   HG13  ILE   6          3HG1      ILE   6  -0.959  -0.791  -3.899
   33   HG21  ILE   6          1HG2      ILE   6   1.244  -4.263  -4.848
   34   HG22  ILE   6          2HG2      ILE   6   1.045  -3.166  -6.214
   35   HG23  ILE   6          3HG2      ILE   6   1.967  -2.654  -4.800
   36   HD11  ILE   6          1HD1      ILE   6   1.887  -0.420  -4.596
   37   HD12  ILE   6          2HD1      ILE   6   0.915   0.331  -3.331
   38   HD13  ILE   6          3HD1      ILE   6   1.528  -1.308  -3.116
   39    H    CYS   7           HN       CYS   7  -0.725  -4.891  -3.569
   40    HA   CYS   7           HA       CYS   7  -0.205  -7.085  -5.286
   41    HB2  CYS   7          2HB       CYS   7  -0.026  -8.403  -3.227
   42    HB3  CYS   7          3HB       CYS   7   0.836  -6.876  -3.075
   43    H    MET   8           HN       MET   8  -2.981  -6.185  -3.285
   44    HA   MET   8           HA       MET   8  -5.138  -6.902  -3.251
   45    HB2  MET   8          2HB       MET   8  -4.580  -8.027  -5.997
   46    HB3  MET   8          3HB       MET   8  -6.144  -7.577  -5.330
   47    HG2  MET   8          2HG       MET   8  -5.066  -5.216  -5.130
   48    HG3  MET   8          3HG       MET   8  -3.943  -5.840  -6.336
   49    HE1  MET   8          1HE       MET   8  -4.909  -5.242  -9.232
   50    HE2  MET   8          2HE       MET   8  -4.365  -6.682  -8.371
   51    HE3  MET   8          3HE       MET   8  -5.867  -6.722  -9.296
   52    H    ASP   9           HN       ASP   9  -3.677  -8.486  -1.770
   53    HA   ASP   9           HA       ASP   9  -5.024 -10.962  -1.810
   54    HB2  ASP   9          2HB       ASP   9  -3.122 -12.465  -2.255
   55    HB3  ASP   9          3HB       ASP   9  -3.513 -11.479  -3.661
   56    H    GLY  10           HN       GLY  10  -4.224  -8.740  -0.047
   57    HA2  GLY  10          1HA       GLY  10  -3.348 -10.385   2.192
   58    HA3  GLY  10          2HA       GLY  10  -2.311  -9.029   1.778
   59    H    ARG  11           HN       ARG  11  -5.712  -8.702   1.279
   60    HA   ARG  11           HA       ARG  11  -7.270  -7.332   2.211
   61    HB2  ARG  11          2HB       ARG  11  -5.929  -8.647   4.480
   62    HB3  ARG  11          3HB       ARG  11  -6.788  -7.168   4.890
   63    HG2  ARG  11          2HG       ARG  11  -8.643  -8.368   5.003
   64    HG3  ARG  11          3HG       ARG  11  -8.538  -8.594   3.257
   65    HD2  ARG  11          2HD       ARG  11  -8.758 -10.722   4.492
   66    HD3  ARG  11          3HD       ARG  11  -7.270 -10.624   3.551
   67    HE   ARG  11           HE       ARG  11  -6.443  -9.786   5.948
   68   HH11  ARG  11          1HH1      ARG  11  -8.390 -12.518   5.016
   69   HH12  ARG  11          2HH1      ARG  11  -7.860 -13.510   6.333
   70   HH21  ARG  11          1HH2      ARG  11  -5.737 -11.084   7.686
   71   HH22  ARG  11          2HH2      ARG  11  -6.351 -12.694   7.852
   72    H    ALA  12           HN       ALA  12  -7.556  -5.307   3.618
   73    HA   ALA  12           HA       ALA  12  -5.196  -3.584   3.235
   74    HB1  ALA  12          1HB       ALA  12  -6.806  -2.741   1.793
   75    HB2  ALA  12          2HB       ALA  12  -8.125  -3.050   2.922
   76    HB3  ALA  12          3HB       ALA  12  -6.993  -1.731   3.227
   77    H    ASP  13           HN       ASP  13  -4.217  -3.128   5.089
   78    HA   ASP  13           HA       ASP  13  -5.830  -2.917   7.537
   79    HB2  ASP  13          2HB       ASP  13  -3.893  -4.568   7.405
   80    HB3  ASP  13          3HB       ASP  13  -2.827  -3.164   7.395
   81    H    LEU  14           HN       LEU  14  -4.184  -1.070   5.251
   82    HA   LEU  14           HA       LEU  14  -4.255   1.258   7.043
   83    HB2  LEU  14          2HB       LEU  14  -1.923   0.090   6.142
   84    HB3  LEU  14          3HB       LEU  14  -2.182   1.411   5.004
   85    HG   LEU  14           HG       LEU  14  -0.803   2.329   6.642
   86   HD11  LEU  14          1HD1      LEU  14  -3.315   3.170   7.953
   87   HD12  LEU  14          2HD1      LEU  14  -3.204   3.417   6.211
   88   HD13  LEU  14          3HD1      LEU  14  -2.003   4.137   7.282
   89   HD21  LEU  14          1HD2      LEU  14  -2.548   1.357   8.877
   90   HD22  LEU  14          2HD2      LEU  14  -0.878   1.919   8.935
   91   HD23  LEU  14          3HD2      LEU  14  -1.257   0.352   8.219
   92    H    ILE  15           HN       ILE  15  -6.114   2.093   6.176
   93    HA   ILE  15           HA       ILE  15  -6.298   2.467   3.290
   94    HB   ILE  15           HB       ILE  15  -8.316   3.268   5.384
   95   HG12  ILE  15          2HG1      ILE  15  -9.398   1.071   4.273
   96   HG13  ILE  15          3HG1      ILE  15  -7.696   0.642   4.143
   97   HG21  ILE  15          1HG2      ILE  15  -9.049   4.359   3.534
   98   HG22  ILE  15          2HG2      ILE  15  -8.240   3.254   2.425
   99   HG23  ILE  15          3HG2      ILE  15  -9.755   2.779   3.193
  100   HD11  ILE  15          1HD1      ILE  15  -9.362   0.339   6.354
  101   HD12  ILE  15          2HD1      ILE  15  -7.616   0.100   6.284
  102   HD13  ILE  15          3HD1      ILE  15  -8.274   1.665   6.762
  103    H    LEU  16           HN       LEU  16  -4.871   4.087   2.784
  104    HA   LEU  16           HA       LEU  16  -4.337   6.400   4.202
  105    HB2  LEU  16          2HB       LEU  16  -4.293   5.812   1.259
  106    HB3  LEU  16          3HB       LEU  16  -3.799   7.376   1.903
  107    HG   LEU  16           HG       LEU  16  -2.463   4.708   2.200
  108   HD11  LEU  16          1HD1      LEU  16  -0.854   7.088   1.791
  109   HD12  LEU  16          2HD1      LEU  16  -2.066   6.866   0.529
  110   HD13  LEU  16          3HD1      LEU  16  -0.906   5.583   0.872
  111   HD21  LEU  16          1HD2      LEU  16  -2.451   5.396   4.434
  112   HD22  LEU  16          2HD2      LEU  16  -2.253   7.095   4.006
  113   HD23  LEU  16          3HD2      LEU  16  -0.910   5.971   3.795
  114    HA   PRO  17           HA       PRO  17  -7.839   9.026   3.864
  115    HB2  PRO  17          2HB       PRO  17  -6.669  11.467   3.664
  116    HB3  PRO  17          3HB       PRO  17  -6.693  10.534   5.165
  117    HG2  PRO  17          2HG       PRO  17  -4.504  10.813   3.142
  118    HG3  PRO  17          3HG       PRO  17  -4.401  10.838   4.913
  119    HD2  PRO  17          2HD       PRO  17  -3.779   8.648   3.446
  120    HD3  PRO  17          3HD       PRO  17  -4.482   8.540   5.074
  121    H    CYS  18           HN       CYS  18  -5.903   8.376   1.284
  122    HA   CYS  18           HA       CYS  18  -7.290  10.248  -0.510
  123    HB2  CYS  18          2HB       CYS  18  -5.547   9.624  -2.169
  124    HB3  CYS  18          3HB       CYS  18  -4.880  10.350  -0.711
  125    H    ALA  19           HN       ALA  19  -7.841   7.338   0.702
  126    HA   ALA  19           HA       ALA  19  -9.289   5.679   0.077
  127    HB1  ALA  19          1HB       ALA  19 -10.120   7.657  -1.491
  128    HB2  ALA  19          2HB       ALA  19  -9.486   6.583  -2.739
  129    HB3  ALA  19          3HB       ALA  19 -10.741   6.013  -1.639
  130    H    HIS  20           HN       HIS  20  -6.467   5.415  -0.077
  131    HA   HIS  20           HA       HIS  20  -6.290   3.324  -2.132
  132    HB2  HIS  20          2HB       HIS  20  -4.253   5.469  -1.541
  133    HB3  HIS  20          3HB       HIS  20  -3.842   3.981  -2.387
  134    HD2  HIS  20          2HD       HIS  20  -6.297   3.826  -4.502
  135    HE1  HIS  20          1HE       HIS  20  -5.134   7.762  -5.579
  136    HE2  HIS  20          2HE       HIS  20  -6.495   5.744  -6.227
  137    H    SER  21           HN       SER  21  -6.351   1.552  -0.876
  138    HA   SER  21           HA       SER  21  -5.146   1.423   1.711
  139    HB2  SER  21          2HB       SER  21  -5.617  -1.200   0.699
  140    HB3  SER  21          3HB       SER  21  -6.561  -0.302   1.888
  141    HG   SER  21           HG       SER  21  -7.504  -1.045  -0.302
  142    H    PHE  22           HN       PHE  22  -3.476  -0.114   2.335
  143    HA   PHE  22           HA       PHE  22  -1.716  -1.178   0.329
  144    HB2  PHE  22          2HB       PHE  22  -0.763   1.124   2.046
  145    HB3  PHE  22          3HB       PHE  22   0.263   0.137   1.010
  146    HD1  PHE  22          1HD       PHE  22  -0.140   0.172  -1.474
  147    HD2  PHE  22          2HD       PHE  22  -1.935   2.961   1.193
  148    HE1  PHE  22          1HE       PHE  22  -0.592   1.683  -3.363
  149    HE2  PHE  22          2HE       PHE  22  -2.391   4.476  -0.691
  150    HZ   PHE  22           HZ       PHE  22  -1.720   3.836  -2.973
  151    H    CYS  23           HN       CYS  23  -2.153  -3.101   1.463
  152    HA   CYS  23           HA       CYS  23  -2.091  -3.710   4.081
  153    HB2  CYS  23          2HB       CYS  23  -1.397  -5.927   3.522
  154    HB3  CYS  23          3HB       CYS  23  -2.335  -5.325   2.160
  155    H    GLN  24           HN       GLN  24  -0.630  -4.025   5.712
  156    HA   GLN  24           HA       GLN  24   1.510  -2.463   6.089
  157    HB2  GLN  24          2HB       GLN  24   0.842  -3.747   7.931
  158    HB3  GLN  24          3HB       GLN  24   1.007  -5.262   7.054
  159    HG2  GLN  24          2HG       GLN  24   2.753  -4.962   8.742
  160    HG3  GLN  24          3HG       GLN  24   3.410  -5.081   7.110
  161   HE21  GLN  24          1HE2      GLN  24   2.036  -2.441   9.044
  162   HE22  GLN  24          2HE2      GLN  24   3.373  -1.365   8.835
  163    H    LYS  25           HN       LYS  25   1.794  -5.777   4.803
  164    HA   LYS  25           HA       LYS  25   4.425  -6.050   4.360
  165    HB2  LYS  25          2HB       LYS  25   2.211  -6.688   2.405
  166    HB3  LYS  25          3HB       LYS  25   3.862  -7.272   2.241
  167    HG2  LYS  25          2HG       LYS  25   3.681  -8.690   4.056
  168    HG3  LYS  25          3HG       LYS  25   2.332  -7.791   4.754
  169    HD2  LYS  25          2HD       LYS  25   1.644  -8.779   2.138
  170    HD3  LYS  25          3HD       LYS  25   2.208 -10.097   3.168
  171    HE2  LYS  25          2HE       LYS  25  -0.040  -8.166   3.708
  172    HE3  LYS  25          3HE       LYS  25  -0.154  -9.906   3.456
  173    HZ1  LYS  25          1HZ       LYS  25   0.666  -8.424   5.830
  174    HZ2  LYS  25          2HZ       LYS  25   1.464  -9.884   5.526
  175    HZ3  LYS  25          3HZ       LYS  25  -0.218  -9.861   5.704
  176    H    CYS  26           HN       CYS  26   2.392  -4.733   1.744
  177    HA   CYS  26           HA       CYS  26   4.471  -3.712   0.212
  178    HB2  CYS  26          2HB       CYS  26   1.613  -2.747   0.441
  179    HB3  CYS  26          3HB       CYS  26   2.734  -2.248  -0.823
  180    H    ILE  27           HN       ILE  27   2.923  -2.405   3.036
  181    HA   ILE  27           HA       ILE  27   3.804   0.281   2.727
  182    HB   ILE  27           HB       ILE  27   2.265  -1.185   4.629
  183   HG12  ILE  27          2HG1      ILE  27   2.807   1.786   4.454
  184   HG13  ILE  27          3HG1      ILE  27   1.672   0.923   3.422
  185   HG21  ILE  27          1HG2      ILE  27   4.213  -1.254   6.050
  186   HG22  ILE  27          2HG2      ILE  27   4.469   0.477   5.837
  187   HG23  ILE  27          3HG2      ILE  27   3.051  -0.104   6.708
  188   HD11  ILE  27          1HD1      ILE  27   1.300   1.979   6.058
  189   HD12  ILE  27          2HD1      ILE  27   0.112   1.310   4.938
  190   HD13  ILE  27          3HD1      ILE  27   0.980   0.245   6.043
  191    H    ASP  28           HN       ASP  28   5.270  -2.621   3.937
  192    HA   ASP  28           HA       ASP  28   7.331  -1.385   5.461
  193    HB2  ASP  28          2HB       ASP  28   6.572  -3.775   5.693
  194    HB3  ASP  28          3HB       ASP  28   7.403  -4.120   4.179
  195    H    LYS  29           HN       LYS  29   7.086  -2.531   2.129
  196    HA   LYS  29           HA       LYS  29   9.826  -1.754   1.559
  197    HB2  LYS  29          2HB       LYS  29   8.313  -3.746   0.569
  198    HB3  LYS  29          3HB       LYS  29   7.985  -2.511  -0.641
  199    HG2  LYS  29          2HG       LYS  29  10.033  -2.664  -1.534
  200    HG3  LYS  29          3HG       LYS  29  10.818  -2.829   0.038
  201    HD2  LYS  29          2HD       LYS  29   9.348  -5.003  -1.454
  202    HD3  LYS  29          3HD       LYS  29  11.099  -4.852  -1.298
  203    HE2  LYS  29          2HE       LYS  29   9.916  -4.750   1.300
  204    HE3  LYS  29          3HE       LYS  29   9.290  -6.155   0.439
  205    HZ1  LYS  29          1HZ       LYS  29  11.217  -7.195   0.681
  206    HZ2  LYS  29          2HZ       LYS  29  11.717  -5.950   1.711
  207    HZ3  LYS  29          3HZ       LYS  29  12.095  -5.888   0.063
  208    H    TRP  30           HN       TRP  30   6.605  -0.923   0.268
  209    HA   TRP  30           HA       TRP  30   7.702   1.520  -0.883
  210    HB2  TRP  30          2HB       TRP  30   4.804   0.790  -1.044
  211    HB3  TRP  30          3HB       TRP  30   5.815   1.621  -2.224
  212    HD1  TRP  30          1HD       TRP  30   4.022  -1.397  -2.108
  213    HE1  TRP  30          1HE       TRP  30   5.125  -3.295  -3.451
  214    HE3  TRP  30          3HE       TRP  30   8.723   0.560  -2.567
  215    HZ2  TRP  30          2HZ       TRP  30   7.654  -3.885  -4.559
  216    HZ3  TRP  30          3HZ       TRP  30  10.426  -0.735  -3.783
  217    HH2  TRP  30          2HH       TRP  30   9.900  -2.911  -4.757
  218    H    SER  31           HN       SER  31   6.483   3.565  -0.602
  219    HA   SER  31           HA       SER  31   5.580   5.221   0.678
  220    HB2  SER  31          2HB       SER  31   4.147   2.834   1.526
  221    HB3  SER  31          3HB       SER  31   4.309   4.002   2.838
  222    HG   SER  31           HG       SER  31   2.637   4.075   0.787
  223    H    ASP  32           HN       ASP  32   7.343   6.186   1.522
  224    HA   ASP  32           HA       ASP  32   7.925   5.783   4.291
  225    HB2  ASP  32          2HB       ASP  32  10.503   5.521   3.504
  226    HB3  ASP  32          3HB       ASP  32   9.472   4.162   3.944
  227    H    ARG  33           HN       ARG  33   9.951   7.190   4.882
  228    HA   ARG  33           HA       ARG  33  10.717   9.324   5.097
  229    HB2  ARG  33          2HB       ARG  33  10.888   8.722   2.189
  230    HB3  ARG  33          3HB       ARG  33  11.125  10.394   2.681
  231    HG2  ARG  33          2HG       ARG  33  12.659   8.720   4.396
  232    HG3  ARG  33          3HG       ARG  33  12.984   8.273   2.720
  233    HD2  ARG  33          2HD       ARG  33  12.914  11.163   3.389
  234    HD3  ARG  33          3HD       ARG  33  14.297  10.228   3.955
  235    HE   ARG  33           HE       ARG  33  14.047   9.567   1.315
  236   HH11  ARG  33          1HH1      ARG  33  14.429  12.534   3.097
  237   HH12  ARG  33          2HH1      ARG  33  15.283  13.341   1.825
  238   HH21  ARG  33          1HH2      ARG  33  15.170  10.620  -0.368
  239   HH22  ARG  33          2HH2      ARG  33  15.703  12.252  -0.147
  240    H    HIS  34           HN       HIS  34   9.213  10.188   2.066
  241    HA   HIS  34           HA       HIS  34   7.834  12.380   3.216
  242    HB2  HIS  34          2HB       HIS  34   7.851  11.098   0.503
  243    HB3  HIS  34          3HB       HIS  34   6.668  12.348   0.881
  244    HD2  HIS  34          2HD       HIS  34  10.530  11.991   0.359
  245    HE1  HIS  34          1HE       HIS  34   9.536  16.115   0.447
  246    HE2  HIS  34          2HE       HIS  34  11.330  14.419  -0.047
  247    H    ARG  35           HN       ARG  35   7.007   9.070   2.702
  248    HA   ARG  35           HA       ARG  35   5.207   7.853   3.403
  249    HB2  ARG  35          2HB       ARG  35   5.188   9.940   5.137
  250    HB3  ARG  35          3HB       ARG  35   3.625  10.156   4.359
  251    HG2  ARG  35          2HG       ARG  35   2.974   7.907   4.973
  252    HG3  ARG  35          3HG       ARG  35   4.563   7.621   5.686
  253    HD2  ARG  35          2HD       ARG  35   4.066   9.623   7.182
  254    HD3  ARG  35          3HD       ARG  35   2.400   9.486   6.623
  255    HE   ARG  35           HE       ARG  35   2.142   7.746   8.066
  256   HH11  ARG  35          1HH1      ARG  35   5.530   8.066   7.331
  257   HH12  ARG  35          2HH1      ARG  35   6.019   6.817   8.427
  258   HH21  ARG  35          1HH2      ARG  35   2.774   6.099   9.513
  259   HH22  ARG  35          2HH2      ARG  35   4.451   5.698   9.667
  260    H    ASN  36           HN       ASN  36   5.324   9.894   0.974
  261    HA   ASN  36           HA       ASN  36   2.706  10.464   0.200
  262    HB2  ASN  36          2HB       ASN  36   3.638  10.511  -2.131
  263    HB3  ASN  36          3HB       ASN  36   4.544  11.478  -0.970
  264   HD21  ASN  36          1HD2      ASN  36   5.995  11.092  -2.984
  265   HD22  ASN  36          2HD2      ASN  36   7.117   9.787  -2.826
  266    H    CYS  37           HN       CYS  37   1.518   9.456  -1.635
  267    HA   CYS  37           HA       CYS  37   1.508   6.539  -1.302
  268    HB2  CYS  37          2HB       CYS  37  -0.625   7.342  -0.776
  269    HB3  CYS  37          3HB       CYS  37  -0.597   8.540  -2.067
  270    HA   PRO  38           HA       PRO  38   3.037   5.946  -5.390
  271    HB2  PRO  38          2HB       PRO  38   2.135   3.420  -5.808
  272    HB3  PRO  38          3HB       PRO  38   3.493   3.790  -4.740
  273    HG2  PRO  38          2HG       PRO  38   0.631   3.254  -4.047
  274    HG3  PRO  38          3HG       PRO  38   2.103   2.666  -3.253
  275    HD2  PRO  38          2HD       PRO  38   0.653   4.736  -2.283
  276    HD3  PRO  38          3HD       PRO  38   2.415   4.634  -2.094
  277    H    ILE  39           HN       ILE  39  -0.272   4.696  -4.892
  278    HA   ILE  39           HA       ILE  39  -1.144   4.725  -7.505
  279    HB   ILE  39           HB       ILE  39  -2.804   5.443  -5.086
  280   HG12  ILE  39          2HG1      ILE  39  -1.547   3.288  -4.894
  281   HG13  ILE  39          3HG1      ILE  39  -3.295   3.090  -4.887
  282   HG21  ILE  39          1HG2      ILE  39  -3.482   4.657  -7.893
  283   HG22  ILE  39          2HG2      ILE  39  -4.590   4.305  -6.568
  284   HG23  ILE  39          3HG2      ILE  39  -4.132   5.973  -6.913
  285   HD11  ILE  39          1HD1      ILE  39  -1.686   1.570  -6.343
  286   HD12  ILE  39          2HD1      ILE  39  -3.314   2.001  -6.870
  287   HD13  ILE  39          3HD1      ILE  39  -1.921   2.883  -7.497
  288    H    CYS  40           HN       CYS  40  -1.791   7.313  -5.131
  289    HA   CYS  40           HA       CYS  40  -2.980   9.211  -6.573
  290    HB2  CYS  40          2HB       CYS  40  -0.701   9.510  -4.631
  291    HB3  CYS  40          3HB       CYS  40  -1.482  10.915  -5.349
  292    H    ARG  41           HN       ARG  41   0.374   8.254  -6.949
  293    HA   ARG  41           HA       ARG  41   0.878  10.332  -8.916
  294    HB2  ARG  41          2HB       ARG  41   2.980  10.062  -8.223
  295    HB3  ARG  41          3HB       ARG  41   2.477   8.727  -7.197
  296    HG2  ARG  41          2HG       ARG  41   2.936   7.134  -8.880
  297    HG3  ARG  41          3HG       ARG  41   3.115   8.385 -10.112
  298    HD2  ARG  41          2HD       ARG  41   5.242   8.821  -9.531
  299    HD3  ARG  41          3HD       ARG  41   4.900   8.685  -7.807
  300    HE   ARG  41           HE       ARG  41   4.915   6.165  -9.190
  301   HH11  ARG  41          1HH1      ARG  41   6.849   8.549  -7.549
  302   HH12  ARG  41          2HH1      ARG  41   8.106   7.432  -7.132
  303   HH21  ARG  41          1HH2      ARG  41   6.565   4.685  -8.649
  304   HH22  ARG  41          2HH2      ARG  41   7.944   5.235  -7.760
  305    H    LEU  42           HN       LEU  42   0.613   6.798  -8.798
  306    HA   LEU  42           HA       LEU  42   0.364   5.227 -10.429
  307    HB2  LEU  42          2HB       LEU  42  -1.370   7.483 -11.116
  308    HB3  LEU  42          3HB       LEU  42  -0.992   6.428 -12.476
  309    HG   LEU  42           HG       LEU  42  -2.150   5.436  -9.876
  310   HD11  LEU  42          1HD1      LEU  42  -3.477   7.111 -11.532
  311   HD12  LEU  42          2HD1      LEU  42  -4.246   5.853 -10.567
  312   HD13  LEU  42          3HD1      LEU  42  -3.862   5.552 -12.262
  313   HD21  LEU  42          1HD2      LEU  42  -0.873   3.937 -11.576
  314   HD22  LEU  42          2HD2      LEU  42  -2.340   4.098 -12.543
  315   HD23  LEU  42          3HD2      LEU  42  -2.421   3.397 -10.925
  Start of MODEL   20
    1    H1   GLU   1           HN       GLU   1 -14.562  -2.167   6.122
    2    HA   GLU   1           HA       GLU   1 -12.414  -3.784   5.653
    3    HB2  GLU   1          2HB       GLU   1 -15.154  -4.151   5.918
    4    HB3  GLU   1          3HB       GLU   1 -14.790  -4.835   4.340
    5    HG2  GLU   1          2HG       GLU   1 -12.925  -6.115   5.505
    6    HG3  GLU   1          3HG       GLU   1 -13.701  -5.635   7.014
    7    H    GLU   2           HN       GLU   2 -11.008  -3.838   4.040
    8    HA   GLU   2           HA       GLU   2 -11.921  -4.017   1.305
    9    HB2  GLU   2          2HB       GLU   2 -10.606  -1.583   2.390
   10    HB3  GLU   2          3HB       GLU   2 -10.074  -2.144   0.810
   11    HG2  GLU   2          2HG       GLU   2 -11.845  -1.242  -0.151
   12    HG3  GLU   2          3HG       GLU   2 -12.925  -2.163   0.894
   13    H    GLU   3           HN       GLU   3  -9.800  -3.988  -0.164
   14    HA   GLU   3           HA       GLU   3  -7.733  -5.560   1.225
   15    HB2  GLU   3          2HB       GLU   3  -8.598  -6.148  -1.597
   16    HB3  GLU   3          3HB       GLU   3  -7.645  -7.152  -0.514
   17    HG2  GLU   3          2HG       GLU   3  -9.794  -8.126  -0.665
   18    HG3  GLU   3          3HG       GLU   3  -9.674  -7.378   0.927
   19    H    CYS   4           HN       CYS   4  -5.628  -5.280   0.541
   20    HA   CYS   4           HA       CYS   4  -4.656  -2.899  -0.179
   21    HB2  CYS   4          2HB       CYS   4  -3.327  -4.982   0.366
   22    HB3  CYS   4          3HB       CYS   4  -3.485  -5.435  -1.327
   23    H    CYS   5           HN       CYS   5  -3.920  -1.869  -2.101
   24    HA   CYS   5           HA       CYS   5  -5.574  -2.528  -4.436
   25    HB2  CYS   5          2HB       CYS   5  -4.824  -0.050  -3.143
   26    HB3  CYS   5          3HB       CYS   5  -4.388  -0.024  -4.848
   27    HG   CYS   5           HG       CYS   5  -7.531  -0.805  -3.752
   28    H    ILE   6           HN       ILE   6  -2.375  -2.544  -3.294
   29    HA   ILE   6           HA       ILE   6  -1.204  -2.431  -5.967
   30    HB   ILE   6           HB       ILE   6   0.040  -2.616  -3.227
   31   HG12  ILE   6          2HG1      ILE   6  -0.102  -0.474  -5.348
   32   HG13  ILE   6          3HG1      ILE   6  -0.707  -0.401  -3.697
   33   HG21  ILE   6          1HG2      ILE   6   2.216  -2.473  -4.336
   34   HG22  ILE   6          2HG2      ILE   6   1.358  -3.946  -4.783
   35   HG23  ILE   6          3HG2      ILE   6   1.422  -2.589  -5.906
   36   HD11  ILE   6          1HD1      ILE   6   2.183  -0.482  -4.529
   37   HD12  ILE   6          2HD1      ILE   6   1.299   0.922  -3.930
   38   HD13  ILE   6          3HD1      ILE   6   1.596  -0.453  -2.867
   39    H    CYS   7           HN       CYS   7  -1.049  -4.634  -3.160
   40    HA   CYS   7           HA       CYS   7  -0.140  -6.803  -4.845
   41    HB2  CYS   7          2HB       CYS   7  -0.972  -7.218  -2.005
   42    HB3  CYS   7          3HB       CYS   7   0.366  -7.938  -2.897
   43    H    MET   8           HN       MET   8  -3.115  -5.644  -3.533
   44    HA   MET   8           HA       MET   8  -5.245  -6.471  -3.501
   45    HB2  MET   8          2HB       MET   8  -4.189  -7.489  -6.136
   46    HB3  MET   8          3HB       MET   8  -5.878  -7.638  -5.668
   47    HG2  MET   8          2HG       MET   8  -6.316  -5.500  -6.121
   48    HG3  MET   8          3HG       MET   8  -4.822  -4.937  -5.376
   49    HE1  MET   8          1HE       MET   8  -6.017  -6.591  -9.111
   50    HE2  MET   8          2HE       MET   8  -6.875  -5.381  -8.156
   51    HE3  MET   8          3HE       MET   8  -5.935  -4.888  -9.566
   52    H    ASP   9           HN       ASP   9  -3.311  -8.092  -2.113
   53    HA   ASP   9           HA       ASP   9  -4.875 -10.475  -1.826
   54    HB2  ASP   9          2HB       ASP   9  -3.551 -11.187  -3.731
   55    HB3  ASP   9          3HB       ASP   9  -2.065 -10.700  -2.921
   56    H    GLY  10           HN       GLY  10  -4.165  -8.337  -0.124
   57    HA2  GLY  10          1HA       GLY  10  -2.960  -9.862   2.039
   58    HA3  GLY  10          2HA       GLY  10  -2.082  -8.420   1.548
   59    H    ARG  11           HN       ARG  11  -5.520  -8.390   1.281
   60    HA   ARG  11           HA       ARG  11  -7.124  -7.151   2.314
   61    HB2  ARG  11          2HB       ARG  11  -5.507  -8.284   4.524
   62    HB3  ARG  11          3HB       ARG  11  -6.578  -6.953   4.945
   63    HG2  ARG  11          2HG       ARG  11  -7.440  -9.481   3.555
   64    HG3  ARG  11          3HG       ARG  11  -7.600  -9.167   5.283
   65    HD2  ARG  11          2HD       ARG  11  -8.894  -7.069   4.589
   66    HD3  ARG  11          3HD       ARG  11  -8.985  -7.810   2.992
   67    HE   ARG  11           HE       ARG  11 -10.483  -8.539   5.318
   68   HH11  ARG  11          1HH1      ARG  11  -9.126  -9.727   2.340
   69   HH12  ARG  11          2HH1      ARG  11 -10.261 -11.027   2.190
   70   HH21  ARG  11          1HH2      ARG  11 -11.984 -10.247   5.130
   71   HH22  ARG  11          2HH2      ARG  11 -11.887 -11.322   3.776
   72    H    ALA  12           HN       ALA  12  -7.343  -5.235   4.059
   73    HA   ALA  12           HA       ALA  12  -5.186  -3.310   3.491
   74    HB1  ALA  12          1HB       ALA  12  -8.156  -2.803   3.424
   75    HB2  ALA  12          2HB       ALA  12  -6.919  -1.551   3.316
   76    HB3  ALA  12          3HB       ALA  12  -7.044  -2.777   2.056
   77    H    ASP  13           HN       ASP  13  -4.200  -2.971   5.378
   78    HA   ASP  13           HA       ASP  13  -5.794  -2.850   7.834
   79    HB2  ASP  13          2HB       ASP  13  -3.331  -4.020   7.264
   80    HB3  ASP  13          3HB       ASP  13  -2.921  -2.578   8.190
   81    H    LEU  14           HN       LEU  14  -4.064  -0.871   5.625
   82    HA   LEU  14           HA       LEU  14  -4.624   1.465   7.302
   83    HB2  LEU  14          2HB       LEU  14  -2.007   0.463   6.566
   84    HB3  LEU  14          3HB       LEU  14  -2.262   2.107   5.986
   85    HG   LEU  14           HG       LEU  14  -2.680   1.304   8.857
   86   HD11  LEU  14          1HD1      LEU  14  -0.225   1.451   7.447
   87   HD12  LEU  14          2HD1      LEU  14  -0.491   1.222   9.175
   88   HD13  LEU  14          3HD1      LEU  14  -0.327   2.850   8.516
   89   HD21  LEU  14          1HD2      LEU  14  -1.896   4.033   8.124
   90   HD22  LEU  14          2HD2      LEU  14  -3.125   3.467   9.257
   91   HD23  LEU  14          3HD2      LEU  14  -3.481   3.537   7.530
   92    H    ILE  15           HN       ILE  15  -6.233   2.259   6.044
   93    HA   ILE  15           HA       ILE  15  -5.782   2.539   3.166
   94    HB   ILE  15           HB       ILE  15  -8.263   2.997   4.823
   95   HG12  ILE  15          2HG1      ILE  15  -8.247   0.988   2.673
   96   HG13  ILE  15          3HG1      ILE  15  -7.165   0.625   4.013
   97   HG21  ILE  15          1HG2      ILE  15  -8.516   4.497   3.070
   98   HG22  ILE  15          2HG2      ILE  15  -7.688   3.448   1.921
   99   HG23  ILE  15          3HG2      ILE  15  -9.316   3.046   2.466
  100   HD11  ILE  15          1HD1      ILE  15 -10.137   0.909   4.016
  101   HD12  ILE  15          2HD1      ILE  15  -9.139  -0.415   4.616
  102   HD13  ILE  15          3HD1      ILE  15  -9.207   1.108   5.501
  103    H    LEU  16           HN       LEU  16  -5.341   4.430   2.216
  104    HA   LEU  16           HA       LEU  16  -4.738   6.719   3.803
  105    HB2  LEU  16          2HB       LEU  16  -4.795   6.197   0.847
  106    HB3  LEU  16          3HB       LEU  16  -4.441   7.794   1.502
  107    HG   LEU  16           HG       LEU  16  -2.824   5.274   1.838
  108   HD11  LEU  16          1HD1      LEU  16  -1.605   7.771   0.894
  109   HD12  LEU  16          2HD1      LEU  16  -2.801   7.067  -0.195
  110   HD13  LEU  16          3HD1      LEU  16  -1.407   6.117   0.317
  111   HD21  LEU  16          1HD2      LEU  16  -2.766   7.862   3.327
  112   HD22  LEU  16          2HD2      LEU  16  -1.260   7.000   3.013
  113   HD23  LEU  16          3HD2      LEU  16  -2.551   6.216   3.922
  114    HA   PRO  17           HA       PRO  17  -8.510   8.961   3.728
  115    HB2  PRO  17          2HB       PRO  17  -7.618  11.518   3.529
  116    HB3  PRO  17          3HB       PRO  17  -7.457  10.556   5.003
  117    HG2  PRO  17          2HG       PRO  17  -5.429  11.111   2.872
  118    HG3  PRO  17          3HG       PRO  17  -5.228  11.108   4.634
  119    HD2  PRO  17          2HD       PRO  17  -4.464   9.028   3.078
  120    HD3  PRO  17          3HD       PRO  17  -5.056   8.812   4.738
  121    H    CYS  18           HN       CYS  18  -6.644   8.604   1.029
  122    HA   CYS  18           HA       CYS  18  -8.428  10.261  -0.630
  123    HB2  CYS  18          2HB       CYS  18  -6.638  10.073  -2.372
  124    HB3  CYS  18          3HB       CYS  18  -6.138  10.936  -0.921
  125    H    ALA  19           HN       ALA  19  -8.458   7.326   0.475
  126    HA   ALA  19           HA       ALA  19  -9.545   5.432  -0.212
  127    HB1  ALA  19          1HB       ALA  19 -10.916   5.466  -2.047
  128    HB2  ALA  19          2HB       ALA  19 -10.706   7.197  -1.775
  129    HB3  ALA  19          3HB       ALA  19  -9.769   6.381  -3.025
  130    H    HIS  20           HN       HIS  20  -7.072   4.979   0.092
  131    HA   HIS  20           HA       HIS  20  -6.307   3.277  -2.125
  132    HB2  HIS  20          2HB       HIS  20  -4.727   5.686  -1.290
  133    HB3  HIS  20          3HB       HIS  20  -3.895   4.262  -1.905
  134    HD2  HIS  20          2HD       HIS  20  -5.516   3.487  -4.499
  135    HE1  HIS  20          1HE       HIS  20  -5.355   7.591  -5.560
  136    HE2  HIS  20          2HE       HIS  20  -5.841   5.254  -6.360
  137    H    SER  21           HN       SER  21  -6.222   1.419  -1.021
  138    HA   SER  21           HA       SER  21  -5.259   1.294   1.689
  139    HB2  SER  21          2HB       SER  21  -5.546  -1.251   1.219
  140    HB3  SER  21          3HB       SER  21  -6.984  -0.233   1.294
  141    HG   SER  21           HG       SER  21  -7.129  -0.271  -0.902
  142    H    PHE  22           HN       PHE  22  -3.565  -0.258   2.344
  143    HA   PHE  22           HA       PHE  22  -1.586  -1.050   0.427
  144    HB2  PHE  22          2HB       PHE  22  -0.951   1.211   2.333
  145    HB3  PHE  22          3HB       PHE  22   0.248   0.331   1.392
  146    HD1  PHE  22          1HD       PHE  22  -2.109   3.020   1.420
  147    HD2  PHE  22          2HD       PHE  22   0.095   0.420  -1.130
  148    HE1  PHE  22          1HE       PHE  22  -2.449   4.576  -0.455
  149    HE2  PHE  22          2HE       PHE  22  -0.240   1.973  -3.009
  150    HZ   PHE  22           HZ       PHE  22  -1.513   4.054  -2.673
  151    H    CYS  23           HN       CYS  23  -1.979  -3.068   1.399
  152    HA   CYS  23           HA       CYS  23  -1.956  -3.716   4.071
  153    HB2  CYS  23          2HB       CYS  23  -1.455  -5.965   3.424
  154    HB3  CYS  23          3HB       CYS  23  -2.438  -5.263   2.142
  155    H    GLN  24           HN       GLN  24  -0.455  -4.009   5.632
  156    HA   GLN  24           HA       GLN  24   1.874  -2.665   5.770
  157    HB2  GLN  24          2HB       GLN  24   0.930  -3.803   7.695
  158    HB3  GLN  24          3HB       GLN  24   1.308  -5.370   6.993
  159    HG2  GLN  24          2HG       GLN  24   3.227  -5.323   8.086
  160    HG3  GLN  24          3HG       GLN  24   3.729  -3.988   7.052
  161   HE21  GLN  24          1HE2      GLN  24   3.750  -1.927   7.850
  162   HE22  GLN  24          2HE2      GLN  24   3.499  -1.554   9.519
  163    H    LYS  25           HN       LYS  25   1.505  -5.952   4.501
  164    HA   LYS  25           HA       LYS  25   4.014  -6.822   4.108
  165    HB2  LYS  25          2HB       LYS  25   1.497  -7.194   2.757
  166    HB3  LYS  25          3HB       LYS  25   2.812  -7.216   1.589
  167    HG2  LYS  25          2HG       LYS  25   2.675  -8.921   4.068
  168    HG3  LYS  25          3HG       LYS  25   2.246  -9.452   2.440
  169    HD2  LYS  25          2HD       LYS  25   4.570  -8.863   1.725
  170    HD3  LYS  25          3HD       LYS  25   4.956  -8.562   3.420
  171    HE2  LYS  25          2HE       LYS  25   4.578 -11.100   1.982
  172    HE3  LYS  25          3HE       LYS  25   5.583 -10.729   3.381
  173    HZ1  LYS  25          1HZ       LYS  25   2.667 -11.274   3.364
  174    HZ2  LYS  25          2HZ       LYS  25   3.503 -10.700   4.717
  175    HZ3  LYS  25          3HZ       LYS  25   3.883 -12.215   4.070
  176    H    CYS  26           HN       CYS  26   2.389  -4.808   1.647
  177    HA   CYS  26           HA       CYS  26   4.833  -4.242   0.287
  178    HB2  CYS  26          2HB       CYS  26   3.432  -2.617  -1.002
  179    HB3  CYS  26          3HB       CYS  26   2.785  -4.255  -0.975
  180    H    ILE  27           HN       ILE  27   2.776  -2.449   2.538
  181    HA   ILE  27           HA       ILE  27   4.022   0.028   2.435
  182    HB   ILE  27           HB       ILE  27   2.085  -1.197   4.071
  183   HG12  ILE  27          2HG1      ILE  27   3.116   1.649   4.073
  184   HG13  ILE  27          3HG1      ILE  27   1.935   0.994   2.942
  185   HG21  ILE  27          1HG2      ILE  27   3.973  -1.548   5.673
  186   HG22  ILE  27          2HG2      ILE  27   4.144   0.204   5.764
  187   HG23  ILE  27          3HG2      ILE  27   2.651  -0.565   6.301
  188   HD11  ILE  27          1HD1      ILE  27   0.573   0.437   5.062
  189   HD12  ILE  27          2HD1      ILE  27   1.629   1.614   5.844
  190   HD13  ILE  27          3HD1      ILE  27   0.624   2.101   4.479
  191    H    ASP  28           HN       ASP  28   5.216  -2.939   3.638
  192    HA   ASP  28           HA       ASP  28   7.235  -1.671   5.317
  193    HB2  ASP  28          2HB       ASP  28   5.910  -4.032   5.585
  194    HB3  ASP  28          3HB       ASP  28   7.402  -4.576   4.823
  195    H    LYS  29           HN       LYS  29   6.938  -3.403   2.273
  196    HA   LYS  29           HA       LYS  29   9.750  -3.598   1.799
  197    HB2  LYS  29          2HB       LYS  29   7.304  -4.405   0.478
  198    HB3  LYS  29          3HB       LYS  29   8.438  -3.714  -0.675
  199    HG2  LYS  29          2HG       LYS  29   9.866  -5.480   1.035
  200    HG3  LYS  29          3HG       LYS  29   8.424  -6.309   0.443
  201    HD2  LYS  29          2HD       LYS  29  10.138  -4.761  -1.457
  202    HD3  LYS  29          3HD       LYS  29  10.633  -6.376  -0.946
  203    HE2  LYS  29          2HE       LYS  29   8.574  -7.318  -1.770
  204    HE3  LYS  29          3HE       LYS  29   7.946  -5.714  -2.145
  205    HZ1  LYS  29          1HZ       LYS  29   8.875  -5.859  -4.131
  206    HZ2  LYS  29          2HZ       LYS  29   9.489  -7.392  -3.767
  207    HZ3  LYS  29          3HZ       LYS  29  10.409  -6.012  -3.435
  208    H    TRP  30           HN       TRP  30   7.256  -1.259   1.051
  209    HA   TRP  30           HA       TRP  30   9.003   0.270  -0.688
  210    HB2  TRP  30          2HB       TRP  30   6.154   0.560   0.221
  211    HB3  TRP  30          3HB       TRP  30   6.983   1.901  -0.563
  212    HD1  TRP  30          1HD       TRP  30   5.583  -1.586  -1.276
  213    HE1  TRP  30          1HE       TRP  30   5.425  -1.905  -3.825
  214    HE3  TRP  30          3HE       TRP  30   8.013   2.655  -2.777
  215    HZ2  TRP  30          2HZ       TRP  30   6.224  -0.540  -6.163
  216    HZ3  TRP  30          3HZ       TRP  30   8.274   3.073  -5.188
  217    HH2  TRP  30          2HH       TRP  30   7.398   1.507  -6.844
  218    H    SER  31           HN       SER  31   8.633   2.833  -0.150
  219    HA   SER  31           HA       SER  31  10.439   3.516   1.770
  220    HB2  SER  31          2HB       SER  31   9.800   5.726   1.458
  221    HB3  SER  31          3HB       SER  31   9.147   4.972   0.003
  222    HG   SER  31           HG       SER  31   7.628   6.335   1.077
  223    H    ASP  32           HN       ASP  32  10.475   3.882   3.930
  224    HA   ASP  32           HA       ASP  32   8.723   2.566   5.623
  225    HB2  ASP  32          2HB       ASP  32  10.302   5.004   6.441
  226    HB3  ASP  32          3HB       ASP  32   9.852   3.621   7.433
  227    H    ARG  33           HN       ARG  33   7.780   4.030   7.608
  228    HA   ARG  33           HA       ARG  33   5.362   5.044   6.687
  229    HB2  ARG  33          2HB       ARG  33   6.643   4.674   9.203
  230    HB3  ARG  33          3HB       ARG  33   5.989   6.306   9.167
  231    HG2  ARG  33          2HG       ARG  33   4.510   3.715   8.817
  232    HG3  ARG  33          3HG       ARG  33   4.321   4.916  10.097
  233    HD2  ARG  33          2HD       ARG  33   3.892   6.334   7.751
  234    HD3  ARG  33          3HD       ARG  33   3.095   4.787   7.474
  235    HE   ARG  33           HE       ARG  33   1.525   5.347   9.049
  236   HH11  ARG  33          1HH1      ARG  33   4.228   7.527   9.284
  237   HH12  ARG  33          2HH1      ARG  33   3.437   8.596  10.394
  238   HH21  ARG  33          1HH2      ARG  33   0.472   6.747  10.510
  239   HH22  ARG  33          2HH2      ARG  33   1.301   8.151  11.091
  240    H    HIS  34           HN       HIS  34   5.803   6.511   4.998
  241    HA   HIS  34           HA       HIS  34   6.938   9.093   5.838
  242    HB2  HIS  34          2HB       HIS  34   7.442   7.500   3.568
  243    HB3  HIS  34          3HB       HIS  34   6.537   8.896   2.992
  244    HD2  HIS  34          2HD       HIS  34   9.093   9.394   5.893
  245    HE1  HIS  34          1HE       HIS  34  10.692  11.142   2.374
  246    HE2  HIS  34          2HE       HIS  34  11.014  10.771   4.844
  247    H    ARG  35           HN       ARG  35   4.074   7.498   4.901
  248    HA   ARG  35           HA       ARG  35   1.919   8.207   4.708
  249    HB2  ARG  35          2HB       ARG  35   2.981   9.928   6.513
  250    HB3  ARG  35          3HB       ARG  35   2.507  11.053   5.247
  251    HG2  ARG  35          2HG       ARG  35   0.586  11.039   6.446
  252    HG3  ARG  35          3HG       ARG  35   0.250   9.671   5.384
  253    HD2  ARG  35          2HD       ARG  35   0.350   8.183   7.066
  254    HD3  ARG  35          3HD       ARG  35   1.725   8.987   7.824
  255    HE   ARG  35           HE       ARG  35   0.268  10.099   9.192
  256   HH11  ARG  35          1HH1      ARG  35  -1.492   8.781   6.493
  257   HH12  ARG  35          2HH1      ARG  35  -3.046   9.195   7.137
  258   HH21  ARG  35          1HH2      ARG  35  -1.772  10.650  10.050
  259   HH22  ARG  35          2HH2      ARG  35  -3.204  10.259   9.159
  260    H    ASN  36           HN       ASN  36   3.035   7.887   2.380
  261    HA   ASN  36           HA       ASN  36   2.368  10.301   0.825
  262    HB2  ASN  36          2HB       ASN  36   3.966   9.529  -0.880
  263    HB3  ASN  36          3HB       ASN  36   4.755   9.783   0.674
  264   HD21  ASN  36          1HD2      ASN  36   6.410   8.412  -0.285
  265   HD22  ASN  36          2HD2      ASN  36   6.239   6.696  -0.174
  266    H    CYS  37           HN       CYS  37   2.263   9.269  -1.684
  267    HA   CYS  37           HA       CYS  37   0.593   6.915  -1.746
  268    HB2  CYS  37          2HB       CYS  37  -0.874   8.963  -1.139
  269    HB3  CYS  37          3HB       CYS  37  -0.636   9.442  -2.817
  270    HA   PRO  38           HA       PRO  38   3.177   7.514  -5.506
  271    HB2  PRO  38          2HB       PRO  38   3.849   4.891  -5.716
  272    HB3  PRO  38          3HB       PRO  38   4.727   6.028  -4.686
  273    HG2  PRO  38          2HG       PRO  38   2.618   4.037  -3.943
  274    HG3  PRO  38          3HG       PRO  38   4.134   4.425  -3.109
  275    HD2  PRO  38          2HD       PRO  38   1.738   5.397  -2.305
  276    HD3  PRO  38          3HD       PRO  38   3.250   6.307  -2.113
  277    H    ILE  39           HN       ILE  39   0.247   6.131  -4.773
  278    HA   ILE  39           HA       ILE  39  -0.149   4.927  -7.409
  279    HB   ILE  39           HB       ILE  39  -1.967   4.999  -4.999
  280   HG12  ILE  39          2HG1      ILE  39   0.068   3.093  -6.020
  281   HG13  ILE  39          3HG1      ILE  39  -0.424   3.436  -4.365
  282   HG21  ILE  39          1HG2      ILE  39  -3.501   3.664  -6.165
  283   HG22  ILE  39          2HG2      ILE  39  -3.057   4.935  -7.303
  284   HG23  ILE  39          3HG2      ILE  39  -2.354   3.326  -7.461
  285   HD11  ILE  39          1HD1      ILE  39  -1.193   1.300  -4.634
  286   HD12  ILE  39          2HD1      ILE  39  -2.623   2.227  -5.086
  287   HD13  ILE  39          3HD1      ILE  39  -1.588   1.538  -6.336
  288    H    CYS  40           HN       CYS  40  -1.131   7.667  -5.466
  289    HA   CYS  40           HA       CYS  40  -3.277   8.523  -7.109
  290    HB2  CYS  40          2HB       CYS  40  -1.836   9.509  -4.781
  291    HB3  CYS  40          3HB       CYS  40  -2.257  10.809  -5.891
  292    H    ARG  41           HN       ARG  41   0.181   9.003  -7.209
  293    HA   ARG  41           HA       ARG  41   0.645  11.193  -8.667
  294    HB2  ARG  41          2HB       ARG  41   1.766   8.466  -9.341
  295    HB3  ARG  41          3HB       ARG  41   2.466  10.008  -9.817
  296    HG2  ARG  41          2HG       ARG  41   2.044   9.254  -6.943
  297    HG3  ARG  41          3HG       ARG  41   3.512   8.841  -7.832
  298    HD2  ARG  41          2HD       ARG  41   4.050  11.122  -8.179
  299    HD3  ARG  41          3HD       ARG  41   2.456  11.651  -7.640
  300    HE   ARG  41           HE       ARG  41   3.752  10.255  -5.561
  301   HH11  ARG  41          1HH1      ARG  41   3.873  13.275  -7.289
  302   HH12  ARG  41          2HH1      ARG  41   4.546  14.159  -5.959
  303   HH21  ARG  41          1HH2      ARG  41   4.638  11.407  -3.803
  304   HH22  ARG  41          2HH2      ARG  41   4.981  13.095  -3.978
  305    H    LEU  42           HN       LEU  42  -0.646   8.173 -10.007
  306    HA   LEU  42           HA       LEU  42  -1.321   9.641 -12.470
  307    HB2  LEU  42          2HB       LEU  42  -1.514   7.295 -13.448
  308    HB3  LEU  42          3HB       LEU  42   0.101   7.910 -13.107
  309    HG   LEU  42           HG       LEU  42  -1.315   6.147 -11.139
  310   HD11  LEU  42          1HD1      LEU  42  -1.381   4.983 -13.290
  311   HD12  LEU  42          2HD1      LEU  42  -0.267   4.209 -12.164
  312   HD13  LEU  42          3HD1      LEU  42   0.357   5.218 -13.469
  313   HD21  LEU  42          1HD2      LEU  42   1.002   7.529 -10.969
  314   HD22  LEU  42          2HD2      LEU  42   1.585   5.995 -11.616
  315   HD23  LEU  42          3HD2      LEU  42   0.679   6.027 -10.102