*HEADER    BIOSYNTHETIC PROTEIN                    13-DEC-17   6BVU              
*TITLE     SFTI-HFRW-1                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRYPSIN INHIBITOR 1 HFRW-1;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS;                              
*SOURCE   4 ORGANISM_COMMON: COMMON SUNFLOWER;                                   
*SOURCE   5 ORGANISM_TAXID: 4232                                                 
*KEYWDS    BIOSYNTHETIC PROTEIN                                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.I.SCHROEDER                                                         
*REVDAT   1   19-DEC-18 6BVU    0                                                
# Restraints file 1: restraints.tbl
!Distance restraints
assign (resid 4     and name HA   ) (resid 5     and name HN   )    3.11    3.11    0.00
assign (resid 13    and name HA   ) (resid 13    and name HD1  )    4.39    4.39    0.00
assign (resid 13    and name HA   ) (resid 13    and name HE3  )    4.30    4.30    0.00
assign (resid 13    and name HB2  ) (resid 14    and name HN   )    4.19    4.19    0.00
assign (resid 13    and name HB1  ) (resid 14    and name HN   )    4.19    4.19    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB2  )    3.93    3.93    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB1  )    3.93    3.93    0.00
assign (resid 14    and name HN   ) (resid 14    and name QG   )    4.03    4.03    0.00
assign (resid 14    and name HA   ) (resid 14    and name QG   )    3.83    3.83    0.00
assign (resid 14    and name HB2  ) (resid 14    and name QG   )    2.61    2.61    0.00
assign (resid 14    and name HB1  ) (resid 14    and name QG   )    2.61    2.61    0.00
assign (resid 5     and name HA   ) (resid 5     and name QD1  )    3.96    3.96    0.00
assign (resid 12    and name HN   ) (resid 12    and name HG2  )    4.73    4.73    0.00
assign (resid 12    and name HN   ) (resid 12    and name HG1  )    4.73    4.73    0.00
assign (resid 12    and name HA   ) (resid 12    and name QD   )    5.22    5.22    0.00
assign (resid 5     and name HN   ) (resid 5     and name QD1  )    4.84    4.84    0.00
assign (resid 5     and name HN   ) (resid 5     and name HG11 )    4.82    4.82    0.00
assign (resid 5     and name HN   ) (resid 5     and name HG12 )    4.82    4.82    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB   )    3.42    3.42    0.00
assign (resid 1     and name HN   ) (resid 14    and name HA   )    2.81    2.81    0.00
assign (resid 1     and name HA   ) (resid 14    and name HA   )    4.76    4.76    0.00
assign (resid 1     and name HN   ) (resid 14    and name HB2  )    4.68    4.68    0.00
assign (resid 1     and name HN   ) (resid 14    and name HB1  )    4.68    4.68    0.00
assign (resid 1     and name HN   ) (resid 14    and name QG   )    4.66    4.66    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB   )    3.99    3.99    0.00
assign (resid 2     and name HN   ) (resid 2     and name QG2  )    3.34    3.34    0.00
assign (resid 1     and name HA   ) (resid 2     and name HN   )    2.79    2.79    0.00
assign (resid 2     and name HB   ) (resid 3     and name HN   )    3.18    3.18    0.00
assign (resid 2     and name HA   ) (resid 3     and name HN   )    2.86    2.86    0.00
assign (resid 3     and name HN   ) (resid 3     and name QB   )    3.10    3.10    0.00
assign (resid 2     and name HA   ) (resid 2     and name QG2  )    3.33    3.33    0.00
assign (resid 3     and name HA   ) (resid 4     and name HN   )    3.45    3.45    0.00
assign (resid 2     and name QG2  ) (resid 4     and name HN   )    4.96    4.96    0.00
assign (resid 3     and name QB   ) (resid 4     and name HN   )    5.12    5.12    0.00
assign (resid 6     and name HA   ) (resid 7     and name HD2  )    3.24    3.24    0.00
assign (resid 6     and name HA   ) (resid 7     and name HD1  )    3.24    3.24    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB   )    3.46    3.46    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG12 )    4.57    4.57    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG11 )    4.57    4.57    0.00
assign (resid 8     and name HN   ) (resid 8     and name QD1  )    4.50    4.50    0.00
assign (resid 8     and name HA   ) (resid 8     and name HG11 )    4.15    4.15    0.00
assign (resid 8     and name HA   ) (resid 8     and name QD1  )    3.46    3.46    0.00
assign (resid 8     and name HA   ) (resid 8     and name HG12 )    4.15    4.15    0.00
assign (resid 7     and name HA   ) (resid 8     and name HN   )    2.96    2.96    0.00
assign (resid 7     and name HB1  ) (resid 8     and name HN   )    4.64    4.64    0.00
assign (resid 7     and name HB2  ) (resid 8     and name HN   )    4.64    4.64    0.00
assign (resid 8     and name QD1  ) (resid 9     and name HN   )    4.81    4.81    0.00
assign (resid 8     and name HG11 ) (resid 9     and name HN   )    5.50    5.50    0.00
assign (resid 8     and name HG12 ) (resid 9     and name HN   )    5.50    5.50    0.00
assign (resid 8     and name HB   ) (resid 9     and name HN   )    5.06    5.06    0.00
assign (resid 8     and name HA   ) (resid 9     and name HN   )    2.75    2.75    0.00
assign (resid 9     and name HN   ) (resid 9     and name QB   )    3.29    3.29    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB1  )    3.86    3.86    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB2  )    3.86    3.86    0.00
assign (resid 9     and name HA   ) (resid 10    and name HN   )    2.86    2.86    0.00
assign (resid 9     and name QB   ) (resid 10    and name HN   )    3.65    3.65    0.00
assign (resid 1     and name HA   ) (resid 9     and name HA   )    3.20    3.20    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB2  )    3.50    3.50    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB1  )    3.50    3.50    0.00
assign (resid 10    and name HA   ) (resid 11    and name HN   )    3.14    3.14    0.00
assign (resid 11    and name HA   ) (resid 11    and name QE   )    4.73    4.73    0.00
assign (resid 11    and name HA   ) (resid 11    and name QD   )    3.38    3.38    0.00
assign (resid 11    and name HA   ) (resid 12    and name HN   )    2.94    2.94    0.00
assign (resid 11    and name HB1  ) (resid 12    and name HN   )    4.83    4.83    0.00
assign (resid 11    and name HB2  ) (resid 12    and name HN   )    4.83    4.83    0.00
assign (resid 4     and name HN   ) (resid 7     and name HA   )    4.03    4.03    0.00
assign (resid 10    and name HD2  ) (resid 14    and name HB1  )    5.29    5.29    0.00
assign (resid 10    and name HD2  ) (resid 14    and name HB2  )    5.29    5.29    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB1  )    3.94    3.94    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB2  )    3.94    3.94    0.00
assign (resid 2     and name HN   ) (resid 8     and name HN   )    3.77    3.77    0.00
assign (resid 3     and name HN   ) (resid 4     and name HN   )    4.03    4.03    0.00
assign (resid 8     and name HN   ) (resid 9     and name HN   )    5.16    5.16    0.00
assign (resid 1     and name HN   ) (resid 14    and name HN   )    5.26    5.26    0.00
assign (resid 11    and name HN   ) (resid 12    and name HN   )    5.34    5.34    0.00
assign (resid 10    and name HN   ) (resid 13    and name HB1  )    5.50    5.50    0.00
assign (resid 10    and name HN   ) (resid 13    and name HB2  )    5.50    5.50    0.00
assign (resid 11    and name HA   ) (resid 13    and name HN   )    4.73    4.73    0.00
assign (resid 2     and name HN   ) (resid 9     and name HA   )    4.24    4.24    0.00
assign (resid 1     and name HN   ) (resid 9     and name HA   )    5.38    5.38    0.00
assign (resid 1     and name HA   ) (resid 10    and name HN   )    4.65    4.65    0.00
assign (resid 2     and name HN   ) (resid 8     and name HB   )    4.63    4.63    0.00
assign (resid 2     and name HN   ) (resid 8     and name QD1  )    5.50    5.50    0.00
assign (resid 10    and name HN   ) (resid 14    and name HB1  )    5.50    5.50    0.00
assign (resid 10    and name HN   ) (resid 14    and name HB2  )    5.50    5.50    0.00
assign (resid 12    and name HB2  ) (resid 13    and name HN   )    4.73    4.73    0.00
assign (resid 12    and name HB1  ) (resid 13    and name HN   )    4.73    4.73    0.00
assign (resid 12    and name HG2  ) (resid 13    and name HN   )    5.50    5.50    0.00
assign (resid 12    and name HG1  ) (resid 13    and name HN   )    5.50    5.50    0.00
assign (resid 6     and name HA   ) (resid 7     and name QG   )    4.94    4.94    0.00
assign (resid 5     and name HA   ) (resid 6     and name HA   )    2.92    2.92    0.00
assign (resid 10    and name HN   ) (resid 13    and name HN   )    5.50    5.50    0.00
assign (resid 1     and name HN   ) (resid 1     and name QB   )    3.10    3.10    0.00
assign (resid 1     and name HN   ) (resid 14    and name QB   )    4.05    4.05    0.00
assign (resid 1     and name QB   ) (resid 2     and name HN   )    3.84    3.84    0.00
assign (resid 2     and name HN   ) (resid 7     and name QB   )    5.34    5.34    0.00
assign (resid 4     and name HN   ) (resid 4     and name QB   )    3.65    3.65    0.00
assign (resid 4     and name HN   ) (resid 7     and name QB   )    5.03    5.03    0.00
assign (resid 4     and name QB   ) (resid 5     and name HN   )    3.26    3.26    0.00
assign (resid 5     and name HN   ) (resid 5     and name QG1  )    4.18    4.18    0.00
assign (resid 5     and name HA   ) (resid 6     and name QB   )    4.76    4.76    0.00
assign (resid 6     and name HA   ) (resid 7     and name QD   )    2.79    2.79    0.00
assign (resid 6     and name QB   ) (resid 7     and name QD   )    3.39    3.39    0.00
assign (resid 7     and name QB   ) (resid 8     and name HN   )    3.98    3.98    0.00
assign (resid 8     and name HN   ) (resid 8     and name QG1  )    3.91    3.91    0.00
assign (resid 10    and name HN   ) (resid 10    and name QB   )    3.23    3.23    0.00
assign (resid 10    and name HN   ) (resid 13    and name QB   )    4.68    4.68    0.00
assign (resid 10    and name QB   ) (resid 13    and name HN   )    5.34    5.34    0.00
assign (resid 10    and name QB   ) (resid 13    and name QB   )    2.99    2.99    0.00
assign (resid 10    and name HD2  ) (resid 14    and name QB   )    4.48    4.48    0.00
assign (resid 11    and name HN   ) (resid 11    and name QB   )    2.90    2.90    0.00
assign (resid 11    and name QB   ) (resid 12    and name HN   )    4.10    4.10    0.00
assign (resid 11    and name QB   ) (resid 13    and name HN   )    5.18    5.18    0.00
assign (resid 12    and name HN   ) (resid 12    and name QB   )    3.42    3.42    0.00
assign (resid 12    and name HN   ) (resid 12    and name QG   )    3.97    3.97    0.00
assign (resid 12    and name QB   ) (resid 12    and name QG   )    2.33    2.33    0.00
assign (resid 13    and name HN   ) (resid 13    and name QB   )    3.20    3.20    0.00
assign (resid 13    and name QB   ) (resid 13    and name HE3  )    3.70    3.70    0.00
assign (resid 13    and name QB   ) (resid 14    and name HN   )    3.42    3.42    0.00
assign (resid 14    and name HN   ) (resid 14    and name QB   )    3.35    3.35    0.00
assign (resid 14    and name QB   ) (resid 14    and name QG   )    2.22    2.22    0.00
!Dihedral restraints
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0 -120.0   30.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -120.0   30.0 2
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0 -120.0   30.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0 -120.0   30.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -73.7   30.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0 -112.3   46.7 2
assign (resid 14    and name C    ) (resid 1     and name N    ) (resid 1     and name CA   ) (resid 1     and name C    )    1.0 -120.0   30.0 2
!Hbonds
assign (resid 2     and name HN   ) (resid 8     and name O    )    2.30    2.30    0.00
assign (resid 2     and name N    ) (resid 8     and name O    )    3.30    3.30    0.00
assign (resid 10    and name HN   ) (resid 14    and name O    )    2.30    2.30    0.00
assign (resid 10    and name N    ) (resid 14    and name O    )    3.30    3.30    0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           H        CYS   1  -1.076  -1.626   3.915
    2    HA   CYS   1           HA       CYS   1  -0.011  -0.046   1.667
    3    HB3  CYS   1          2HB       CYS   1   0.059   1.069   4.427
    4    H    THR   2           H        THR   2   2.102  -0.224   1.332
    5    HA   THR   2           HA       THR   2   3.795  -1.197   3.542
    6    HB   THR   2           HB       THR   2   5.251  -2.040   1.506
    7    HG1  THR   2          1HG       THR   2   3.885  -2.752  -0.198
    8   HG21  THR   2          1HG2      THR   2   2.778  -3.570   2.310
    9   HG22  THR   2          2HG2      THR   2   4.199  -3.396   3.341
   10   HG23  THR   2          3HG2      THR   2   4.329  -4.227   1.790
   11    H    ALA   3           H        ALA   3   5.958  -0.436   3.606
   12    HA   ALA   3           HA       ALA   3   6.235   2.259   2.546
   13    HB1  ALA   3          1HB       ALA   3   6.734   1.866   4.901
   14    HB2  ALA   3          2HB       ALA   3   7.999   0.722   4.450
   15    HB3  ALA   3          3HB       ALA   3   8.164   2.428   4.035
   16    H    SER   4           H        SER   4   6.314   0.719   0.414
   17    HA   SER   4           HA       SER   4   8.942  -0.256  -0.207
   18    HB3  SER   4          2HB       SER   4   7.999  -0.555  -2.504
   19    HG   SER   4           HG       SER   4   7.538  -1.968  -0.512
   20    H    ILE   5           H        ILE   5   9.565   0.558  -2.672
   21    HA   ILE   5           HA       ILE   5   9.606   3.482  -2.691
   22    HB   ILE   5           HB       ILE   5  12.121   1.824  -2.903
   23   HG13  ILE   5          2HG1      ILE   5  11.189   2.002  -0.590
   24   HG21  ILE   5          1HG2      ILE   5  12.554   4.622  -2.499
   25   HG22  ILE   5          2HG2      ILE   5  13.082   3.594  -3.831
   26   HG23  ILE   5          3HG2      ILE   5  11.506   4.383  -3.899
   27   HD11  ILE   5          1HD1      ILE   5  13.183   2.311   0.416
   28   HD12  ILE   5          2HD1      ILE   5  13.758   2.220  -1.248
   29   HD13  ILE   5          3HD1      ILE   5  13.533   3.790  -0.477
   30    HA   PRO   6           HA       PRO   6   8.420   4.527  -3.727
   31    HB3  PRO   6          2HB       PRO   6   7.509   5.417  -5.640
   32    HG3  PRO   6          2HG       PRO   6   7.207   4.114  -7.543
   33    HD3  PRO   6          2HD       PRO   6   9.409   3.621  -7.070
   34    HA   PRO   7           HA       PRO   7   5.984   1.948  -1.128
   35    HB3  PRO   7          2HB       PRO   7   5.667   3.778   0.226
   36    HG3  PRO   7          2HG       PRO   7   5.355   5.897  -0.676
   37    HD3  PRO   7          2HD       PRO   7   7.240   5.249  -1.831
   38    H    ILE   8           H        ILE   8   3.858   0.963  -0.816
   39    HA   ILE   8           HA       ILE   8   2.148   1.119  -3.208
   40    HB   ILE   8           HB       ILE   8   2.730  -1.430  -1.704
   41   HG13  ILE   8          2HG1      ILE   8   4.105  -2.065  -3.664
   42   HG21  ILE   8          1HG2      ILE   8   1.839  -1.783  -4.392
   43   HG22  ILE   8          2HG2      ILE   8   1.072  -2.301  -2.891
   44   HG23  ILE   8          3HG2      ILE   8   0.727  -0.702  -3.550
   45   HD11  ILE   8          1HD1      ILE   8   4.801   0.484  -4.658
   46   HD12  ILE   8          2HD1      ILE   8   4.123  -0.892  -5.531
   47   HD13  ILE   8          3HD1      ILE   8   3.053   0.308  -4.807
   48    H    CYS   9           H        CYS   9  -0.008   1.185  -2.868
   49    HA   CYS   9           HA       CYS   9  -1.095   0.480  -0.259
   50    HB3  CYS   9          2HB       CYS   9  -2.349   2.686  -0.196
   51    H    HIS  10           H        HIS  10  -2.912  -0.626  -0.533
   52    HA   HIS  10           HA       HIS  10  -4.340  -0.364  -3.090
   53    HB3  HIS  10          2HB       HIS  10  -5.371  -2.605  -2.294
   54    HD1  HIS  10          1HD       HIS  10  -3.595  -1.384  -4.651
   55    HD2  HIS  10          2HD       HIS  10  -2.704  -4.727  -2.350
   56    HE1  HIS  10          1HE       HIS  10  -2.021  -2.762  -6.047
   57    H    DPN  11           H        DPN  11  -5.065   1.677  -1.727
   58    HA   DPN  11           HA       DPN  11  -7.793   1.155  -0.987
   59    HB2  DPN  11          2HB       DPN  11  -6.117   3.581  -1.421
   60    HB3  DPN  11          3HB       DPN  11  -7.571   3.751  -0.442
   61    HD1  DPN  11          1HD       DPN  11  -9.619   2.297  -1.617
   62    HD2  DPN  11          2HD       DPN  11  -6.396   4.266  -3.580
   63    HE1  DPN  11          1HE       DPN  11 -10.974   2.470  -3.663
   64    HE2  DPN  11          2HE       DPN  11  -7.746   4.441  -5.629
   65    HZ   DPN  11           HZ       DPN  11 -10.038   3.542  -5.673
   66    H    ARG  12           H        ARG  12  -8.342   0.472   0.968
   67    HA   ARG  12           HA       ARG  12  -6.842   1.497   3.289
   68    HB3  ARG  12          2HB       ARG  12  -9.105   0.956   4.489
   69    HG3  ARG  12          2HG       ARG  12  -8.733   3.343   2.698
   70    HD3  ARG  12          2HD       ARG  12 -11.148   2.788   3.399
   71    HE   ARG  12           HE       ARG  12  -9.997   3.012   5.997
   72   HH11  ARG  12          1HH2      ARG  12 -11.385   2.962   7.806
   73   HH12  ARG  12          2HH2      ARG  12 -13.078   3.248   7.589
   74   HH21  ARG  12          1HH1      ARG  12 -12.851   3.706   4.130
   75   HH22  ARG  12          2HH1      ARG  12 -13.914   3.670   5.498
   76    H    TRP  13           H        TRP  13  -6.444  -0.962   1.666
   77    HA   TRP  13           HA       TRP  13  -7.062  -3.023   3.666
   78    HB3  TRP  13          2HB       TRP  13  -6.140  -4.499   1.663
   79    HD1  TRP  13           HD       TRP  13  -9.204  -2.405   0.659
   80    HE1  TRP  13          1HE       TRP  13 -11.311  -3.849   0.973
   81    HE3  TRP  13          3HE       TRP  13  -7.072  -6.474   2.905
   82    HZ2  TRP  13          2HZ       TRP  13 -11.983  -6.378   2.033
   83    HZ3  TRP  13          3HZ       TRP  13  -8.517  -8.362   3.538
   84    HH2  TRP  13           HH       TRP  13 -10.920  -8.313   3.111
   85    H    ARG  14           H        ARG  14  -4.412  -2.691   1.314
   86    HA   ARG  14           HA       ARG  14  -2.526  -3.217   3.517
   87    HB3  ARG  14          2HB       ARG  14  -2.337  -3.952   0.593
   88    HG3  ARG  14          2HG       ARG  14  -0.123  -3.339   1.553
   89    HD3  ARG  14          2HD       ARG  14  -0.870  -4.327   3.861
   90    HE   ARG  14           HE       ARG  14  -1.001  -6.608   3.739
   91   HH11  ARG  14          1HH2      ARG  14  -0.211  -8.721   3.399
   92   HH12  ARG  14          2HH2      ARG  14   1.269  -8.947   2.531
   93   HH21  ARG  14          1HH1      ARG  14   1.814  -5.535   1.992
   94   HH22  ARG  14          2HH1      ARG  14   2.422  -7.137   1.730
  Start of MODEL    2
    1    H1   CYS   1           H        CYS   1  -1.047  -1.373   3.946
    2    HA   CYS   1           HA       CYS   1   0.078   0.025   1.611
    3    HB3  CYS   1          2HB       CYS   1   0.427   1.987   3.179
    4    H    THR   2           H        THR   2   2.174  -0.330   1.363
    5    HA   THR   2           HA       THR   2   3.746  -1.179   3.705
    6    HB   THR   2           HB       THR   2   5.349  -2.054   1.863
    7    HG1  THR   2          1HG       THR   2   2.926  -2.128   0.377
    8   HG21  THR   2          1HG2      THR   2   3.975  -4.162   1.655
    9   HG22  THR   2          2HG2      THR   2   2.690  -3.315   2.517
   10   HG23  THR   2          3HG2      THR   2   4.245  -3.592   3.301
   11    H    ALA   3           H        ALA   3   6.191  -0.725   3.320
   12    HA   ALA   3           HA       ALA   3   6.419   2.123   2.638
   13    HB1  ALA   3          1HB       ALA   3   6.992   1.406   4.952
   14    HB2  ALA   3          2HB       ALA   3   8.324   0.465   4.280
   15    HB3  ALA   3          3HB       ALA   3   8.307   2.220   4.106
   16    H    SER   4           H        SER   4   6.374   0.573   0.435
   17    HA   SER   4           HA       SER   4   8.976  -0.315  -0.363
   18    HB3  SER   4          2HB       SER   4   7.927  -0.522  -2.623
   19    HG   SER   4           HG       SER   4   7.586  -2.314  -1.468
   20    H    ILE   5           H        ILE   5   9.478   0.609  -2.816
   21    HA   ILE   5           HA       ILE   5   9.500   3.532  -2.709
   22    HB   ILE   5           HB       ILE   5  12.011   1.900  -3.102
   23   HG13  ILE   5          2HG1      ILE   5  11.177   1.998  -0.744
   24   HG21  ILE   5          1HG2      ILE   5  12.611   4.596  -2.641
   25   HG22  ILE   5          2HG2      ILE   5  12.796   3.695  -4.145
   26   HG23  ILE   5          3HG2      ILE   5  11.308   4.586  -3.828
   27   HD11  ILE   5          1HD1      ILE   5  13.746   2.400  -1.591
   28   HD12  ILE   5          2HD1      ILE   5  13.482   3.751  -0.489
   29   HD13  ILE   5          3HD1      ILE   5  13.243   2.096   0.071
   30    HA   PRO   6           HA       PRO   6   8.261   4.612  -3.641
   31    HB3  PRO   6          2HB       PRO   6   7.256   5.577  -5.469
   32    HG3  PRO   6          2HG       PRO   6   6.872   4.356  -7.410
   33    HD3  PRO   6          2HD       PRO   6   9.096   3.859  -7.063
   34    HA   PRO   7           HA       PRO   7   5.966   1.904  -1.045
   35    HB3  PRO   7          2HB       PRO   7   5.702   3.670   0.400
   36    HG3  PRO   7          2HG       PRO   7   5.336   5.825  -0.392
   37    HD3  PRO   7          2HD       PRO   7   7.170   5.242  -1.662
   38    H    ILE   8           H        ILE   8   4.204   0.544  -1.012
   39    HA   ILE   8           HA       ILE   8   2.359   0.808  -3.278
   40    HB   ILE   8           HB       ILE   8   2.814  -1.641  -1.577
   41   HG13  ILE   8          2HG1      ILE   8   4.232  -2.453  -3.438
   42   HG21  ILE   8          1HG2      ILE   8   0.910  -2.189  -2.649
   43   HG22  ILE   8          2HG2      ILE   8   1.150  -0.985  -3.915
   44   HG23  ILE   8          3HG2      ILE   8   2.003  -2.526  -3.991
   45   HD11  ILE   8          1HD1      ILE   8   4.977  -1.149  -5.195
   46   HD12  ILE   8          2HD1      ILE   8   3.258  -0.763  -5.115
   47   HD13  ILE   8          3HD1      ILE   8   4.444   0.353  -4.439
   48    H    CYS   9           H        CYS   9   0.172   0.846  -3.024
   49    HA   CYS   9           HA       CYS   9  -1.007   0.400  -0.407
   50    HB3  CYS   9          2HB       CYS   9  -1.732   2.986  -1.715
   51    H    HIS  10           H        HIS  10  -2.978  -0.482  -0.571
   52    HA   HIS  10           HA       HIS  10  -4.279  -0.430  -3.214
   53    HB3  HIS  10          2HB       HIS  10  -5.369  -2.599  -2.377
   54    HD1  HIS  10          1HD       HIS  10  -4.315  -2.552  -4.908
   55    HD2  HIS  10          2HD       HIS  10  -1.817  -3.777  -1.821
   56    HE1  HIS  10          1HE       HIS  10  -2.429  -3.789  -6.020
   57    H    DPN  11           H        DPN  11  -4.648   1.572  -1.187
   58    HA   DPN  11           HA       DPN  11  -7.535   1.370  -0.922
   59    HB2  DPN  11          2HB       DPN  11  -5.538   3.574  -0.840
   60    HB3  DPN  11          3HB       DPN  11  -7.027   3.800   0.070
   61    HD1  DPN  11          1HD       DPN  11  -9.233   3.390  -1.215
   62    HD2  DPN  11          2HD       DPN  11  -5.475   4.070  -3.094
   63    HE1  DPN  11          1HE       DPN  11 -10.391   4.064  -3.277
   64    HE2  DPN  11          2HE       DPN  11  -6.628   4.746  -5.160
   65    HZ   DPN  11           HZ       DPN  11  -9.088   4.744  -5.254
   66    H    ARG  12           H        ARG  12  -8.573   0.930   0.914
   67    HA   ARG  12           HA       ARG  12  -7.238   1.362   3.477
   68    HB3  ARG  12          2HB       ARG  12 -10.030   0.349   3.335
   69    HG3  ARG  12          2HG       ARG  12  -9.034   2.721   4.862
   70    HD3  ARG  12          2HD       ARG  12 -11.181   0.669   5.388
   71    HE   ARG  12           HE       ARG  12 -10.030   2.180   7.292
   72   HH11  ARG  12          1HH2      ARG  12 -11.075   3.059   9.119
   73   HH12  ARG  12          2HH2      ARG  12 -12.769   3.407   9.046
   74   HH21  ARG  12          1HH1      ARG  12 -13.147   2.318   5.744
   75   HH22  ARG  12          2HH1      ARG  12 -13.948   2.985   7.129
   76    H    TRP  13           H        TRP  13  -6.348  -0.789   1.805
   77    HA   TRP  13           HA       TRP  13  -7.187  -3.112   3.414
   78    HB3  TRP  13          2HB       TRP  13  -5.877  -3.345   0.718
   79    HD1  TRP  13           HD       TRP  13  -4.942  -5.736   1.406
   80    HE1  TRP  13          1HE       TRP  13  -6.095  -8.003   1.801
   81    HE3  TRP  13          3HE       TRP  13  -9.782  -4.132   1.777
   82    HZ2  TRP  13          2HZ       TRP  13  -8.711  -8.982   2.213
   83    HZ3  TRP  13          3HZ       TRP  13 -11.549  -5.796   2.170
   84    HH2  TRP  13           HH       TRP  13 -11.023  -8.172   2.384
   85    H    ARG  14           H        ARG  14  -4.386  -2.262   1.373
   86    HA   ARG  14           HA       ARG  14  -2.636  -2.878   3.655
   87    HB3  ARG  14          2HB       ARG  14  -2.378  -3.879   0.821
   88    HG3  ARG  14          2HG       ARG  14  -0.173  -3.105   1.586
   89    HD3  ARG  14          2HD       ARG  14  -0.642  -3.454   4.027
   90    HE   ARG  14           HE       ARG  14  -0.923  -6.155   3.315
   91   HH11  ARG  14          1HH2      ARG  14  -1.017  -7.767   4.925
   92   HH12  ARG  14          2HH2      ARG  14  -0.390  -7.433   6.504
   93   HH21  ARG  14          1HH1      ARG  14   0.593  -4.164   5.737
   94   HH22  ARG  14          2HH1      ARG  14   0.526  -5.383   6.967
  Start of MODEL    3
    1    H1   CYS   1           H        CYS   1  -1.134  -0.991   3.948
    2    HA   CYS   1           HA       CYS   1   0.002  -0.533   1.267
    3    HB3  CYS   1          2HB       CYS   1   0.509   1.732   1.874
    4    H    THR   2           H        THR   2   2.246  -0.377   1.088
    5    HA   THR   2           HA       THR   2   3.734  -1.405   3.417
    6    HB   THR   2           HB       THR   2   5.378  -2.292   1.741
    7    HG1  THR   2          1HG       THR   2   4.335  -2.546  -0.431
    8   HG21  THR   2          1HG2      THR   2   4.191  -4.279   1.354
    9   HG22  THR   2          2HG2      THR   2   2.648  -3.435   1.224
   10   HG23  THR   2          3HG2      THR   2   3.436  -3.597   2.794
   11    H    ALA   3           H        ALA   3   6.232  -0.949   2.990
   12    HA   ALA   3           HA       ALA   3   6.437   1.956   2.571
   13    HB1  ALA   3          1HB       ALA   3   8.394   0.244   4.082
   14    HB2  ALA   3          2HB       ALA   3   8.228   2.001   4.113
   15    HB3  ALA   3          3HB       ALA   3   6.982   0.984   4.839
   16    H    SER   4           H        SER   4   6.454   0.369   0.304
   17    HA   SER   4           HA       SER   4   9.059  -0.388  -0.520
   18    HB3  SER   4          2HB       SER   4   8.056  -0.421  -2.811
   19    HG   SER   4           HG       SER   4   7.706  -2.111  -1.109
   20    H    ILE   5           H        ILE   5   9.625   0.703  -2.887
   21    HA   ILE   5           HA       ILE   5   9.670   3.611  -2.571
   22    HB   ILE   5           HB       ILE   5  12.164   1.958  -2.983
   23   HG13  ILE   5          2HG1      ILE   5  12.872   2.825  -0.823
   24   HG21  ILE   5          1HG2      ILE   5  13.050   4.458  -2.545
   25   HG22  ILE   5          2HG2      ILE   5  12.767   3.789  -4.151
   26   HG23  ILE   5          3HG2      ILE   5  11.544   4.810  -3.393
   27   HD11  ILE   5          1HD1      ILE   5  12.017   4.696  -0.011
   28   HD12  ILE   5          2HD1      ILE   5  10.678   4.653  -1.159
   29   HD13  ILE   5          3HD1      ILE   5  10.554   3.786   0.372
   30    HA   PRO   6           HA       PRO   6   8.460   4.768  -3.450
   31    HB3  PRO   6          2HB       PRO   6   7.504   5.871  -5.224
   32    HG3  PRO   6          2HG       PRO   6   7.151   4.796  -7.257
   33    HD3  PRO   6          2HD       PRO   6   9.362   4.253  -6.898
   34    HA   PRO   7           HA       PRO   7   6.085   1.905  -1.105
   35    HB3  PRO   7          2HB       PRO   7   5.806   3.565   0.458
   36    HG3  PRO   7          2HG       PRO   7   5.474   5.776  -0.186
   37    HD3  PRO   7          2HD       PRO   7   7.330   5.266  -1.454
   38    H    ILE   8           H        ILE   8   4.039   0.808  -0.922
   39    HA   ILE   8           HA       ILE   8   2.306   1.198  -3.274
   40    HB   ILE   8           HB       ILE   8   2.822  -1.406  -1.839
   41   HG13  ILE   8          2HG1      ILE   8   4.127  -2.037  -3.827
   42   HG21  ILE   8          1HG2      ILE   8   0.736  -1.636  -2.807
   43   HG22  ILE   8          2HG2      ILE   8   1.146  -0.606  -4.179
   44   HG23  ILE   8          3HG2      ILE   8   1.800  -2.241  -4.077
   45   HD11  ILE   8          1HD1      ILE   8   4.817  -0.486  -5.483
   46   HD12  ILE   8          2HD1      ILE   8   3.056  -0.438  -5.417
   47   HD13  ILE   8          3HD1      ILE   8   4.003   0.845  -4.664
   48    H    CYS   9           H        CYS   9   0.084   0.994  -3.019
   49    HA   CYS   9           HA       CYS   9  -0.972   0.532  -0.338
   50    HB3  CYS   9          2HB       CYS   9  -1.966   2.937  -1.822
   51    H    HIS  10           H        HIS  10  -2.858  -0.539  -0.359
   52    HA   HIS  10           HA       HIS  10  -4.171  -0.911  -2.967
   53    HB3  HIS  10          2HB       HIS  10  -4.927  -3.066  -2.179
   54    HD1  HIS  10          1HD       HIS  10  -2.899  -3.051  -4.081
   55    HD2  HIS  10          2HD       HIS  10  -1.866  -3.784  -0.124
   56    HE1  HIS  10          1HE       HIS  10  -0.645  -4.161  -4.169
   57    H    DPN  11           H        DPN  11  -4.763   1.363  -1.450
   58    HA   DPN  11           HA       DPN  11  -7.606   1.000  -1.108
   59    HB2  DPN  11          2HB       DPN  11  -5.749   3.319  -1.289
   60    HB3  DPN  11          3HB       DPN  11  -7.280   3.569  -0.458
   61    HD1  DPN  11          1HD       DPN  11  -9.368   3.529  -1.653
   62    HD2  DPN  11          2HD       DPN  11  -5.685   2.818  -3.664
   63    HE1  DPN  11          1HE       DPN  11 -10.493   3.838  -3.818
   64    HE2  DPN  11          2HE       DPN  11  -6.805   3.125  -5.832
   65    HZ   DPN  11           HZ       DPN  11  -9.212   3.637  -5.911
   66    H    ARG  12           H        ARG  12  -8.686   0.819   0.755
   67    HA   ARG  12           HA       ARG  12  -7.390   1.612   3.256
   68    HB3  ARG  12          2HB       ARG  12  -9.662   1.283   4.239
   69    HG3  ARG  12          2HG       ARG  12  -9.735   3.068   1.817
   70    HD3  ARG  12          2HD       ARG  12 -11.833   2.555   3.278
   71    HE   ARG  12           HE       ARG  12 -10.268   3.511   5.316
   72   HH11  ARG  12          1HH2      ARG  12 -11.116   4.421   7.228
   73   HH12  ARG  12          2HH2      ARG  12 -12.698   5.122   7.209
   74   HH21  ARG  12          1HH1      ARG  12 -13.276   4.439   3.828
   75   HH22  ARG  12          2HH1      ARG  12 -13.929   5.131   5.276
   76    H    TRP  13           H        TRP  13  -6.585  -0.789   1.808
   77    HA   TRP  13           HA       TRP  13  -7.459  -2.881   3.686
   78    HB3  TRP  13          2HB       TRP  13  -6.199  -4.320   1.832
   79    HD1  TRP  13           HD       TRP  13  -8.018  -6.117   1.966
   80    HE1  TRP  13          1HE       TRP  13 -10.535  -6.231   1.436
   81    HE3  TRP  13          3HE       TRP  13  -8.838  -1.195   0.851
   82    HZ2  TRP  13          2HZ       TRP  13 -12.595  -4.469   0.650
   83    HZ3  TRP  13          3HZ       TRP  13 -11.110  -0.492   0.219
   84    HH2  TRP  13           HH       TRP  13 -12.947  -2.097   0.120
   85    H    ARG  14           H        ARG  14  -4.518  -2.288   1.755
   86    HA   ARG  14           HA       ARG  14  -2.905  -2.301   4.177
   87    HB3  ARG  14          2HB       ARG  14  -1.345  -3.998   3.032
   88    HG3  ARG  14          2HG       ARG  14  -2.563  -5.952   3.855
   89    HD3  ARG  14          2HD       ARG  14  -3.014  -3.641   5.729
   90    HE   ARG  14           HE       ARG  14  -3.276  -6.328   6.186
   91   HH11  ARG  14          1HH2      ARG  14  -3.044  -7.284   8.243
   92   HH12  ARG  14          2HH2      ARG  14  -2.084  -6.493   9.447
   93   HH21  ARG  14          1HH1      ARG  14  -1.240  -3.781   7.408
   94   HH22  ARG  14          2HH1      ARG  14  -1.059  -4.501   8.973
  Start of MODEL    4
    1    H1   CYS   1           H        CYS   1  -0.994  -1.249   4.063
    2    HA   CYS   1           HA       CYS   1   0.077   0.131   1.690
    3    HB3  CYS   1          2HB       CYS   1   0.211   1.469   4.348
    4    H    THR   2           H        THR   2   2.093  -0.483   1.320
    5    HA   THR   2           HA       THR   2   3.731  -1.488   3.524
    6    HB   THR   2           HB       THR   2   5.231  -2.365   1.818
    7    HG1  THR   2          1HG       THR   2   5.207  -1.546  -0.127
    8   HG21  THR   2          1HG2      THR   2   3.850  -4.118   1.871
    9   HG22  THR   2          2HG2      THR   2   3.056  -3.458   0.441
   10   HG23  THR   2          3HG2      THR   2   2.444  -3.071   2.050
   11    H    ALA   3           H        ALA   3   6.248  -1.031   2.810
   12    HA   ALA   3           HA       ALA   3   6.460   1.907   2.674
   13    HB1  ALA   3          1HB       ALA   3   7.008   1.126   4.892
   14    HB2  ALA   3          2HB       ALA   3   8.168  -0.029   4.232
   15    HB3  ALA   3          3HB       ALA   3   8.471   1.702   4.090
   16    H    SER   4           H        SER   4   6.468   0.332   0.358
   17    HA   SER   4           HA       SER   4   9.114  -0.307  -0.478
   18    HB3  SER   4          2HB       SER   4   8.089  -0.447  -2.755
   19    HG   SER   4           HG       SER   4   7.870  -2.125  -1.015
   20    H    ILE   5           H        ILE   5   9.573   0.780  -2.871
   21    HA   ILE   5           HA       ILE   5   9.428   3.689  -2.601
   22    HB   ILE   5           HB       ILE   5  11.533   3.263  -1.581
   23   HG13  ILE   5          2HG1      ILE   5  11.332   5.003  -3.487
   24   HG21  ILE   5          1HG2      ILE   5  13.160   2.001  -3.430
   25   HG22  ILE   5          2HG2      ILE   5  12.490   1.288  -1.965
   26   HG23  ILE   5          3HG2      ILE   5  11.649   1.095  -3.502
   27   HD11  ILE   5          1HD1      ILE   5  13.057   5.381  -1.946
   28   HD12  ILE   5          2HD1      ILE   5  13.970   3.977  -2.500
   29   HD13  ILE   5          3HD1      ILE   5  13.829   5.401  -3.531
   30    HA   PRO   6           HA       PRO   6   8.132   4.746  -3.482
   31    HB3  PRO   6          2HB       PRO   6   7.082   5.753  -5.260
   32    HG3  PRO   6          2HG       PRO   6   6.778   4.623  -7.271
   33    HD3  PRO   6          2HD       PRO   6   9.025   4.235  -6.934
   34    HA   PRO   7           HA       PRO   7   5.984   1.770  -1.061
   35    HB3  PRO   7          2HB       PRO   7   5.613   3.435   0.479
   36    HG3  PRO   7          2HG       PRO   7   5.127   5.606  -0.194
   37    HD3  PRO   7          2HD       PRO   7   6.997   5.201  -1.480
   38    H    ILE   8           H        ILE   8   4.098   0.469  -0.903
   39    HA   ILE   8           HA       ILE   8   2.340   0.675  -3.256
   40    HB   ILE   8           HB       ILE   8   2.871  -1.792  -1.602
   41   HG13  ILE   8          2HG1      ILE   8   4.300  -2.522  -3.488
   42   HG21  ILE   8          1HG2      ILE   8   2.009  -2.843  -3.794
   43   HG22  ILE   8          2HG2      ILE   8   0.844  -2.117  -2.689
   44   HG23  ILE   8          3HG2      ILE   8   1.360  -1.237  -4.127
   45   HD11  ILE   8          1HD1      ILE   8   4.787   0.158  -4.512
   46   HD12  ILE   8          2HD1      ILE   8   4.648  -1.381  -5.365
   47   HD13  ILE   8          3HD1      ILE   8   3.196  -0.480  -4.930
   48    H    CYS   9           H        CYS   9   0.234   1.019  -2.972
   49    HA   CYS   9           HA       CYS   9  -1.028   0.307  -0.434
   50    HB3  CYS   9          2HB       CYS   9  -2.124   2.521  -0.284
   51    H    HIS  10           H        HIS  10  -2.954  -0.609  -0.737
   52    HA   HIS  10           HA       HIS  10  -4.270  -0.232  -3.346
   53    HB3  HIS  10          2HB       HIS  10  -5.147  -2.499  -3.138
   54    HD1  HIS  10          1HD       HIS  10  -3.750  -3.080  -5.141
   55    HD2  HIS  10          2HD       HIS  10  -1.503  -2.780  -1.660
   56    HE1  HIS  10          1HE       HIS  10  -1.456  -3.908  -5.749
   57    H    DPN  11           H        DPN  11  -4.900   1.644  -1.583
   58    HA   DPN  11           HA       DPN  11  -7.685   1.106  -1.042
   59    HB2  DPN  11          2HB       DPN  11  -5.939   3.516  -1.099
   60    HB3  DPN  11          3HB       DPN  11  -7.393   3.591  -0.110
   61    HD1  DPN  11          1HD       DPN  11  -9.443   4.087  -1.076
   62    HD2  DPN  11          2HD       DPN  11  -6.218   2.816  -3.546
   63    HE1  DPN  11          1HE       DPN  11 -10.778   4.599  -3.077
   64    HE2  DPN  11          2HE       DPN  11  -7.549   3.325  -5.551
   65    HZ   DPN  11           HZ       DPN  11  -9.832   4.219  -5.320
   66    H    ARG  12           H        ARG  12  -8.700   1.146   0.954
   67    HA   ARG  12           HA       ARG  12  -7.098   1.448   3.362
   68    HB3  ARG  12          2HB       ARG  12  -9.976   0.657   3.431
   69    HG3  ARG  12          2HG       ARG  12  -8.521   2.787   4.975
   70    HD3  ARG  12          2HD       ARG  12 -10.419   2.159   6.603
   71    HE   ARG  12           HE       ARG  12 -10.530   3.960   4.387
   72   HH11  ARG  12          1HH2      ARG  12 -11.926   5.758   4.532
   73   HH12  ARG  12          2HH2      ARG  12 -13.179   5.768   5.727
   74   HH21  ARG  12          1HH1      ARG  12 -12.361   2.628   7.031
   75   HH22  ARG  12          2HH1      ARG  12 -13.427   3.989   7.149
   76    H    TRP  13           H        TRP  13  -6.154  -0.688   2.052
   77    HA   TRP  13           HA       TRP  13  -7.166  -2.954   3.638
   78    HB3  TRP  13          2HB       TRP  13  -5.902  -3.459   0.980
   79    HD1  TRP  13           HD       TRP  13  -9.416  -4.586   1.916
   80    HE1  TRP  13          1HE       TRP  13  -9.389  -7.123   2.348
   81    HE3  TRP  13          3HE       TRP  13  -4.367  -5.378   1.792
   82    HZ2  TRP  13          2HZ       TRP  13  -7.481  -9.187   2.604
   83    HZ3  TRP  13          3HZ       TRP  13  -3.522  -7.663   2.140
   84    HH2  TRP  13           HH       TRP  13  -5.049  -9.527   2.539
   85    H    ARG  14           H        ARG  14  -4.380  -2.000   1.619
   86    HA   ARG  14           HA       ARG  14  -2.602  -2.725   3.827
   87    HB3  ARG  14          2HB       ARG  14  -2.418  -3.809   1.016
   88    HG3  ARG  14          2HG       ARG  14  -0.315  -3.546   3.091
   89    HD3  ARG  14          2HD       ARG  14  -0.696  -5.963   2.989
   90    HE   ARG  14           HE       ARG  14  -0.879  -5.567   0.162
   91   HH11  ARG  14          1HH2      ARG  14  -1.252  -7.395  -1.151
   92   HH12  ARG  14          2HH2      ARG  14  -0.988  -8.979  -0.503
   93   HH21  ARG  14          1HH1      ARG  14   0.011  -7.837   2.648
   94   HH22  ARG  14          2HH1      ARG  14  -0.268  -9.230   1.657
  Start of MODEL    5
    1    H1   CYS   1           H        CYS   1  -0.769  -2.012   3.714
    2    HA   CYS   1           HA       CYS   1   0.083  -0.110   1.673
    3    HB3  CYS   1          2HB       CYS   1  -0.021   0.932   4.462
    4    H    THR   2           H        THR   2   2.153  -0.541   1.344
    5    HA   THR   2           HA       THR   2   3.789  -1.469   3.605
    6    HB   THR   2           HB       THR   2   5.404  -2.116   1.673
    7    HG1  THR   2          1HG       THR   2   3.059  -2.374   0.151
    8   HG21  THR   2          1HG2      THR   2   4.454  -3.852   2.941
    9   HG22  THR   2          2HG2      THR   2   4.029  -4.240   1.273
   10   HG23  THR   2          3HG2      THR   2   2.829  -3.515   2.344
   11    H    ALA   3           H        ALA   3   6.245  -0.926   3.122
   12    HA   ALA   3           HA       ALA   3   6.358   1.987   2.718
   13    HB1  ALA   3          1HB       ALA   3   8.008   0.137   4.415
   14    HB2  ALA   3          2HB       ALA   3   8.519   1.783   4.039
   15    HB3  ALA   3          3HB       ALA   3   7.018   1.505   4.922
   16    H    SER   4           H        SER   4   6.372   0.420   0.441
   17    HA   SER   4           HA       SER   4   9.006  -0.228  -0.426
   18    HB3  SER   4          2HB       SER   4   7.955  -0.391  -2.683
   19    HG   SER   4           HG       SER   4   7.687  -2.004  -0.831
   20    H    ILE   5           H        ILE   5   9.432   0.844  -2.833
   21    HA   ILE   5           HA       ILE   5   9.285   3.753  -2.590
   22    HB   ILE   5           HB       ILE   5  11.393   3.348  -1.565
   23   HG13  ILE   5          2HG1      ILE   5  11.161   5.039  -3.544
   24   HG21  ILE   5          1HG2      ILE   5  11.490   1.129  -3.388
   25   HG22  ILE   5          2HG2      ILE   5  12.982   2.064  -3.472
   26   HG23  ILE   5          3HG2      ILE   5  12.432   1.419  -1.926
   27   HD11  ILE   5          1HD1      ILE   5  13.918   5.017  -3.484
   28   HD12  ILE   5          2HD1      ILE   5  12.849   5.898  -2.391
   29   HD13  ILE   5          3HD1      ILE   5  13.452   4.304  -1.940
   30    HA   PRO   6           HA       PRO   6   7.992   4.802  -3.486
   31    HB3  PRO   6          2HB       PRO   6   6.943   5.785  -5.278
   32    HG3  PRO   6          2HG       PRO   6   6.640   4.629  -7.274
   33    HD3  PRO   6          2HD       PRO   6   8.888   4.248  -6.931
   34    HA   PRO   7           HA       PRO   7   5.834   1.863  -1.028
   35    HB3  PRO   7          2HB       PRO   7   5.438   3.553   0.477
   36    HG3  PRO   7          2HG       PRO   7   4.942   5.708  -0.243
   37    HD3  PRO   7          2HD       PRO   7   6.826   5.293  -1.504
   38    H    ILE   8           H        ILE   8   4.035   0.486  -0.938
   39    HA   ILE   8           HA       ILE   8   2.204   0.723  -3.235
   40    HB   ILE   8           HB       ILE   8   2.890  -1.817  -1.762
   41   HG13  ILE   8          2HG1      ILE   8   4.343  -2.342  -3.705
   42   HG21  ILE   8          1HG2      ILE   8   1.455  -1.217  -4.337
   43   HG22  ILE   8          2HG2      ILE   8   2.028  -2.827  -3.903
   44   HG23  ILE   8          3HG2      ILE   8   0.822  -2.021  -2.900
   45   HD11  ILE   8          1HD1      ILE   8   5.153  -0.521  -5.127
   46   HD12  ILE   8          2HD1      ILE   8   3.441  -0.859  -5.387
   47   HD13  ILE   8          3HD1      ILE   8   3.929   0.547  -4.441
   48    H    CYS   9           H        CYS   9   0.135   1.079  -2.806
   49    HA   CYS   9           HA       CYS   9  -0.988   0.129  -0.266
   50    HB3  CYS   9          2HB       CYS   9  -2.280   2.279  -0.110
   51    H    HIS  10           H        HIS  10  -2.940  -0.803  -0.446
   52    HA   HIS  10           HA       HIS  10  -4.212  -0.761  -3.093
   53    HB3  HIS  10          2HB       HIS  10  -5.452  -2.806  -2.074
   54    HD1  HIS  10          1HD       HIS  10  -4.460  -2.910  -4.654
   55    HD2  HIS  10          2HD       HIS  10  -1.987  -4.195  -1.571
   56    HE1  HIS  10          1HE       HIS  10  -2.696  -4.328  -5.752
   57    H    DPN  11           H        DPN  11  -4.765   1.492  -1.821
   58    HA   DPN  11           HA       DPN  11  -7.596   1.228  -1.233
   59    HB2  DPN  11          2HB       DPN  11  -5.772   3.456  -1.989
   60    HB3  DPN  11          3HB       DPN  11  -7.220   3.865  -1.075
   61    HD1  DPN  11          1HD       DPN  11  -9.456   3.335  -2.008
   62    HD2  DPN  11          2HD       DPN  11  -5.883   2.857  -4.272
   63    HE1  DPN  11          1HE       DPN  11 -10.780   3.274  -4.081
   64    HE2  DPN  11          2HE       DPN  11  -7.203   2.794  -6.348
   65    HZ   DPN  11           HZ       DPN  11  -9.655   3.004  -6.253
   66    H    ARG  12           H        ARG  12  -7.904   0.516   0.815
   67    HA   ARG  12           HA       ARG  12  -6.530   1.943   2.989
   68    HB3  ARG  12          2HB       ARG  12  -8.611   2.055   4.255
   69    HG3  ARG  12          2HG       ARG  12 -10.013   3.338   2.330
   70    HD3  ARG  12          2HD       ARG  12  -7.578   4.277   3.838
   71    HE   ARG  12           HE       ARG  12  -9.100   5.752   1.950
   72   HH11  ARG  12          1HH2      ARG  12  -8.806   8.010   1.818
   73   HH12  ARG  12          2HH2      ARG  12  -8.065   8.852   3.137
   74   HH21  ARG  12          1HH1      ARG  12  -7.611   5.985   5.088
   75   HH22  ARG  12          2HH1      ARG  12  -7.384   7.700   4.997
   76    H    TRP  13           H        TRP  13  -6.456  -0.809   1.626
   77    HA   TRP  13           HA       TRP  13  -6.997  -2.488   3.971
   78    HB3  TRP  13          2HB       TRP  13  -6.323  -4.285   2.101
   79    HD1  TRP  13           HD       TRP  13  -9.457  -2.317   1.127
   80    HE1  TRP  13          1HE       TRP  13 -11.527  -3.610   1.947
   81    HE3  TRP  13          3HE       TRP  13  -7.117  -5.950   3.858
   82    HZ2  TRP  13          2HZ       TRP  13 -12.093  -5.870   3.540
   83    HZ3  TRP  13          3HZ       TRP  13  -8.493  -7.639   5.000
   84    HH2  TRP  13           HH       TRP  13 -10.930  -7.598   4.842
   85    H    ARG  14           H        ARG  14  -4.554  -2.670   1.388
   86    HA   ARG  14           HA       ARG  14  -2.547  -3.270   3.444
   87    HB3  ARG  14          2HB       ARG  14  -1.973  -3.595   0.538
   88    HG3  ARG  14          2HG       ARG  14  -1.167  -5.868   1.612
   89    HD3  ARG  14          2HD       ARG  14   0.540  -3.540   2.313
   90    HE   ARG  14           HE       ARG  14   1.603  -5.476   0.536
   91   HH11  ARG  14          1HH2      ARG  14   3.059  -7.037   1.338
   92   HH12  ARG  14          2HH2      ARG  14   3.127  -7.344   3.040
   93   HH21  ARG  14          1HH1      ARG  14   0.656  -5.008   3.854
   94   HH22  ARG  14          2HH1      ARG  14   1.760  -6.192   4.472
  Start of MODEL    6
    1    H1   CYS   1           H        CYS   1  -1.037  -1.426   3.866
    2    HA   CYS   1           HA       CYS   1   0.016  -0.534   1.262
    3    HB3  CYS   1          2HB       CYS   1   0.294   1.693   2.097
    4    H    THR   2           H        THR   2   2.173  -0.611   1.010
    5    HA   THR   2           HA       THR   2   3.789  -1.310   3.374
    6    HB   THR   2           HB       THR   2   5.332  -2.466   1.770
    7    HG1  THR   2          1HG       THR   2   4.087  -1.257  -0.061
    8   HG21  THR   2          1HG2      THR   2   2.567  -3.337   2.396
    9   HG22  THR   2          2HG2      THR   2   4.112  -4.056   2.850
   10   HG23  THR   2          3HG2      THR   2   3.469  -4.302   1.228
   11    H    ALA   3           H        ALA   3   5.705  -0.261   3.707
   12    HA   ALA   3           HA       ALA   3   6.052   2.262   2.383
   13    HB1  ALA   3          1HB       ALA   3   7.648   2.754   4.020
   14    HB2  ALA   3          2HB       ALA   3   6.473   1.734   4.851
   15    HB3  ALA   3          3HB       ALA   3   8.006   1.052   4.311
   16    H    SER   4           H        SER   4   6.294   0.843   0.290
   17    HA   SER   4           HA       SER   4   8.972  -0.170  -0.135
   18    HB3  SER   4          2HB       SER   4   7.548  -1.463  -1.383
   19    HG   SER   4           HG       SER   4   5.559  -0.828  -1.485
   20    H    ILE   5           H        ILE   5   9.800   0.534  -2.516
   21    HA   ILE   5           HA       ILE   5   9.748   3.467  -2.664
   22    HB   ILE   5           HB       ILE   5  12.266   1.801  -2.777
   23   HG13  ILE   5          2HG1      ILE   5  12.885   2.951  -0.705
   24   HG21  ILE   5          1HG2      ILE   5  12.576   3.594  -4.257
   25   HG22  ILE   5          2HG2      ILE   5  11.731   4.724  -3.199
   26   HG23  ILE   5          3HG2      ILE   5  13.325   4.121  -2.750
   27   HD11  ILE   5          1HD1      ILE   5  10.685   4.653  -1.315
   28   HD12  ILE   5          2HD1      ILE   5  10.410   3.881   0.248
   29   HD13  ILE   5          3HD1      ILE   5  11.888   4.801  -0.035
   30    HA   PRO   6           HA       PRO   6   8.649   4.544  -3.752
   31    HB3  PRO   6          2HB       PRO   6   7.803   5.414  -5.701
   32    HG3  PRO   6          2HG       PRO   6   7.489   4.076  -7.576
   33    HD3  PRO   6          2HD       PRO   6   9.665   3.521  -7.052
   34    HA   PRO   7           HA       PRO   7   6.048   2.146  -1.141
   35    HB3  PRO   7          2HB       PRO   7   5.698   4.041   0.108
   36    HG3  PRO   7          2HG       PRO   7   5.446   6.118  -0.909
   37    HD3  PRO   7          2HD       PRO   7   7.371   5.395  -1.952
   38    H    ILE   8           H        ILE   8   3.724   1.438  -0.784
   39    HA   ILE   8           HA       ILE   8   2.078   1.517  -3.191
   40    HB   ILE   8           HB       ILE   8   3.028  -1.065  -1.944
   41   HG13  ILE   8          2HG1      ILE   8   4.042  -1.508  -4.105
   42   HG21  ILE   8          1HG2      ILE   8   0.777  -1.434  -2.493
   43   HG22  ILE   8          2HG2      ILE   8   0.895  -0.487  -3.976
   44   HG23  ILE   8          3HG2      ILE   8   1.684  -2.062  -3.869
   45   HD11  ILE   8          1HD1      ILE   8   2.374   0.642  -5.018
   46   HD12  ILE   8          2HD1      ILE   8   4.065   0.948  -5.414
   47   HD13  ILE   8          3HD1      ILE   8   3.292  -0.544  -5.946
   48    H    CYS   9           H        CYS   9  -0.095   1.256  -2.817
   49    HA   CYS   9           HA       CYS   9  -1.012   0.428  -0.183
   50    HB3  CYS   9          2HB       CYS   9  -1.850   3.106  -1.303
   51    H    HIS  10           H        HIS  10  -2.932  -0.594  -0.256
   52    HA   HIS  10           HA       HIS  10  -4.285  -0.699  -2.861
   53    HB3  HIS  10          2HB       HIS  10  -5.397  -2.764  -1.716
   54    HD1  HIS  10          1HD       HIS  10  -4.723  -3.259  -4.235
   55    HD2  HIS  10          2HD       HIS  10  -1.657  -3.623  -1.455
   56    HE1  HIS  10          1HE       HIS  10  -2.903  -4.542  -5.403
   57    H    DPN  11           H        DPN  11  -4.895   1.568  -1.607
   58    HA   DPN  11           HA       DPN  11  -7.709   1.316  -1.157
   59    HB2  DPN  11          2HB       DPN  11  -6.296   3.282  -2.215
   60    HB3  DPN  11          3HB       DPN  11  -6.232   3.843  -0.548
   61    HD1  DPN  11          1HD       DPN  11  -7.726   5.527  -0.147
   62    HD2  DPN  11          2HD       DPN  11  -8.873   2.331  -2.712
   63    HE1  DPN  11          1HE       DPN  11  -9.955   6.537  -0.403
   64    HE2  DPN  11          2HE       DPN  11 -11.105   3.334  -2.972
   65    HZ   DPN  11           HZ       DPN  11 -11.648   5.439  -1.816
   66    H    ARG  12           H        ARG  12  -8.393   0.459   0.704
   67    HA   ARG  12           HA       ARG  12  -7.177   1.430   3.208
   68    HB3  ARG  12          2HB       ARG  12  -9.355   1.429   4.253
   69    HG3  ARG  12          2HG       ARG  12  -9.829   2.753   1.604
   70    HD3  ARG  12          2HD       ARG  12 -10.431   3.769   4.365
   71    HE   ARG  12           HE       ARG  12 -11.116   5.489   3.034
   72   HH11  ARG  12          1HH2      ARG  12 -12.265   6.496   1.341
   73   HH12  ARG  12          2HH2      ARG  12 -12.997   5.522   0.112
   74   HH21  ARG  12          1HH1      ARG  12 -11.938   2.484   1.481
   75   HH22  ARG  12          2HH1      ARG  12 -12.812   3.239   0.191
   76    H    TRP  13           H        TRP  13  -6.136  -0.797   2.130
   77    HA   TRP  13           HA       TRP  13  -7.193  -2.917   3.875
   78    HB3  TRP  13          2HB       TRP  13  -6.191  -4.434   1.917
   79    HD1  TRP  13           HD       TRP  13  -8.157  -5.945   2.810
   80    HE1  TRP  13          1HE       TRP  13 -10.685  -6.012   2.328
   81    HE3  TRP  13          3HE       TRP  13  -8.646  -1.452   0.420
   82    HZ2  TRP  13          2HZ       TRP  13 -12.628  -4.377   1.096
   83    HZ3  TRP  13          3HZ       TRP  13 -10.874  -0.778  -0.381
   84    HH2  TRP  13           HH       TRP  13 -12.822  -2.212  -0.048
   85    H    ARG  14           H        ARG  14  -4.427  -2.681   1.646
   86    HA   ARG  14           HA       ARG  14  -2.620  -2.891   3.952
   87    HB3  ARG  14          2HB       ARG  14  -3.022  -5.133   2.848
   88    HG3  ARG  14          2HG       ARG  14  -1.385  -3.922   0.630
   89    HD3  ARG  14          2HD       ARG  14  -1.398  -6.062  -0.381
   90    HE   ARG  14           HE       ARG  14  -0.101  -5.805   1.993
   91   HH11  ARG  14          1HH2      ARG  14   1.275  -7.386   2.894
   92   HH12  ARG  14          2HH2      ARG  14   1.048  -9.051   2.478
   93   HH21  ARG  14          1HH1      ARG  14  -1.663  -8.450   0.352
   94   HH22  ARG  14          2HH1      ARG  14  -0.622  -9.657   1.032
  Start of MODEL    7
    1    H1   CYS   1           H        CYS   1  -0.966  -1.715   3.803
    2    HA   CYS   1           HA       CYS   1  -0.041  -0.144   1.495
    3    HB3  CYS   1          2HB       CYS   1   0.446   1.641   3.394
    4    H    THR   2           H        THR   2   2.069  -0.323   1.146
    5    HA   THR   2           HA       THR   2   3.786  -1.208   3.374
    6    HB   THR   2           HB       THR   2   5.138  -2.472   1.851
    7    HG1  THR   2          1HG       THR   2   4.931  -2.340  -0.319
    8   HG21  THR   2          1HG2      THR   2   2.218  -2.999   1.283
    9   HG22  THR   2          2HG2      THR   2   3.133  -3.608   2.662
   10   HG23  THR   2          3HG2      THR   2   3.538  -4.142   1.032
   11    H    ALA   3           H        ALA   3   5.748  -0.217   3.646
   12    HA   ALA   3           HA       ALA   3   6.064   2.360   2.377
   13    HB1  ALA   3          1HB       ALA   3   6.507   1.659   4.870
   14    HB2  ALA   3          2HB       ALA   3   8.103   1.250   4.241
   15    HB3  ALA   3          3HB       ALA   3   7.489   2.896   4.088
   16    H    SER   4           H        SER   4   6.305   0.751   0.337
   17    HA   SER   4           HA       SER   4   9.001  -0.180  -0.073
   18    HB3  SER   4          2HB       SER   4   7.599  -1.516  -1.299
   19    HG   SER   4           HG       SER   4   5.620  -0.951  -1.806
   20    H    ILE   5           H        ILE   5   9.828   0.481  -2.468
   21    HA   ILE   5           HA       ILE   5   9.745   3.410  -2.680
   22    HB   ILE   5           HB       ILE   5  12.287   1.781  -2.776
   23   HG13  ILE   5          2HG1      ILE   5  10.954   3.356  -0.624
   24   HG21  ILE   5          1HG2      ILE   5  11.626   4.340  -3.827
   25   HG22  ILE   5          2HG2      ILE   5  12.753   4.559  -2.489
   26   HG23  ILE   5          3HG2      ILE   5  13.182   3.510  -3.840
   27   HD11  ILE   5          1HD1      ILE   5  12.449   0.813  -0.848
   28   HD12  ILE   5          2HD1      ILE   5  12.567   1.706   0.669
   29   HD13  ILE   5          3HD1      ILE   5  10.990   1.199   0.064
   30    HA   PRO   6           HA       PRO   6   8.637   4.450  -3.794
   31    HB3  PRO   6          2HB       PRO   6   7.787   5.269  -5.764
   32    HG3  PRO   6          2HG       PRO   6   7.495   3.887  -7.610
   33    HD3  PRO   6          2HD       PRO   6   9.675   3.368  -7.068
   34    HA   PRO   7           HA       PRO   7   6.057   2.078  -1.139
   35    HB3  PRO   7          2HB       PRO   7   5.684   3.996   0.070
   36    HG3  PRO   7          2HG       PRO   7   5.414   6.049  -0.990
   37    HD3  PRO   7          2HD       PRO   7   7.349   5.324  -2.013
   38    H    ILE   8           H        ILE   8   3.664   1.468  -0.749
   39    HA   ILE   8           HA       ILE   8   2.079   1.415  -3.196
   40    HB   ILE   8           HB       ILE   8   2.974  -1.097  -1.782
   41   HG13  ILE   8          2HG1      ILE   8   3.999  -1.684  -3.901
   42   HG21  ILE   8          1HG2      ILE   8   0.879  -1.754  -2.332
   43   HG22  ILE   8          2HG2      ILE   8   0.709  -0.534  -3.592
   44   HG23  ILE   8          3HG2      ILE   8   1.629  -2.004  -3.909
   45   HD11  ILE   8          1HD1      ILE   8   2.398   0.489  -4.942
   46   HD12  ILE   8          2HD1      ILE   8   4.096   0.627  -5.403
   47   HD13  ILE   8          3HD1      ILE   8   3.194  -0.840  -5.785
   48    H    CYS   9           H        CYS   9  -0.097   1.268  -2.848
   49    HA   CYS   9           HA       CYS   9  -1.110   0.547  -0.223
   50    HB3  CYS   9          2HB       CYS   9  -2.524   2.757  -0.345
   51    H    HIS  10           H        HIS  10  -2.846  -0.675  -0.503
   52    HA   HIS  10           HA       HIS  10  -4.292  -0.513  -3.048
   53    HB3  HIS  10          2HB       HIS  10  -4.566  -2.678  -0.964
   54    HD1  HIS  10          1HD       HIS  10  -4.965  -1.805  -4.632
   55    HD2  HIS  10          2HD       HIS  10  -6.206  -4.654  -1.875
   56    HE1  HIS  10          1HE       HIS  10  -6.664  -3.212  -5.839
   57    H    DPN  11           H        DPN  11  -4.891   1.569  -1.436
   58    HA   DPN  11           HA       DPN  11  -7.695   1.105  -0.894
   59    HB2  DPN  11          2HB       DPN  11  -6.716   3.158  -2.077
   60    HB3  DPN  11          3HB       DPN  11  -6.212   3.695  -0.478
   61    HD1  DPN  11          1HD       DPN  11  -7.697   4.817   0.922
   62    HD2  DPN  11          2HD       DPN  11  -9.185   2.707  -2.462
   63    HE1  DPN  11          1HE       DPN  11  -9.924   5.795   1.295
   64    HE2  DPN  11          2HE       DPN  11 -11.414   3.680  -2.094
   65    HZ   DPN  11           HZ       DPN  11 -11.786   5.228  -0.213
   66    H    ARG  12           H        ARG  12  -8.453   0.542   1.026
   67    HA   ARG  12           HA       ARG  12  -6.997   1.418   3.431
   68    HB3  ARG  12          2HB       ARG  12  -9.102   1.274   4.630
   69    HG3  ARG  12          2HG       ARG  12 -10.500   2.691   2.716
   70    HD3  ARG  12          2HD       ARG  12  -9.391   4.685   3.851
   71    HE   ARG  12           HE       ARG  12 -11.116   2.772   5.074
   72   HH11  ARG  12          1HH2      ARG  12 -12.459   3.463   6.784
   73   HH12  ARG  12          2HH2      ARG  12 -12.105   4.951   7.596
   74   HH21  ARG  12          1HH1      ARG  12  -9.289   5.678   5.654
   75   HH22  ARG  12          2HH1      ARG  12 -10.304   6.212   6.954
   76    H    TRP  13           H        TRP  13  -6.543  -1.004   1.748
   77    HA   TRP  13           HA       TRP  13  -7.186  -3.103   3.703
   78    HB3  TRP  13          2HB       TRP  13  -6.203  -4.485   1.603
   79    HD1  TRP  13           HD       TRP  13  -9.507  -2.623   0.959
   80    HE1  TRP  13          1HE       TRP  13 -11.451  -4.269   1.339
   81    HE3  TRP  13          3HE       TRP  13  -6.857  -6.607   2.760
   82    HZ2  TRP  13          2HZ       TRP  13 -11.812  -6.906   2.280
   83    HZ3  TRP  13          3HZ       TRP  13  -8.077  -8.653   3.377
   84    HH2  TRP  13           HH       TRP  13 -10.503  -8.796   3.142
   85    H    ARG  14           H        ARG  14  -4.530  -2.544   1.387
   86    HA   ARG  14           HA       ARG  14  -2.640  -3.145   3.566
   87    HB3  ARG  14          2HB       ARG  14  -2.461  -3.938   0.656
   88    HG3  ARG  14          2HG       ARG  14  -0.482  -4.482   2.858
   89    HD3  ARG  14          2HD       ARG  14  -0.711  -6.328   1.264
   90    HE   ARG  14           HE       ARG  14  -1.016  -4.404  -0.699
   91   HH11  ARG  14          1HH2      ARG  14  -0.860  -4.897  -2.921
   92   HH12  ARG  14          2HH2      ARG  14   0.029  -6.294  -3.423
   93   HH21  ARG  14          1HH1      ARG  14   0.913  -7.254  -0.177
   94   HH22  ARG  14          2HH1      ARG  14   1.037  -7.636  -1.863
  Start of MODEL    8
    1    H1   CYS   1           H        CYS   1  -0.875  -1.369   4.142
    2    HA   CYS   1           HA       CYS   1   0.193  -0.300   1.615
    3    HB3  CYS   1          2HB       CYS   1   0.881   1.689   3.237
    4    H    THR   2           H        THR   2   2.375  -0.327   1.381
    5    HA   THR   2           HA       THR   2   3.943  -1.375   3.648
    6    HB   THR   2           HB       THR   2   5.474  -2.260   1.730
    7    HG1  THR   2          1HG       THR   2   4.459  -1.442  -0.057
    8   HG21  THR   2          1HG2      THR   2   4.665  -4.005   2.924
    9   HG22  THR   2          2HG2      THR   2   3.647  -4.233   1.503
   10   HG23  THR   2          3HG2      THR   2   3.015  -3.385   2.914
   11    H    ALA   3           H        ALA   3   6.304  -0.879   3.481
   12    HA   ALA   3           HA       ALA   3   6.630   1.936   2.812
   13    HB1  ALA   3          1HB       ALA   3   8.898   1.531   3.960
   14    HB2  ALA   3          2HB       ALA   3   7.438   1.498   4.948
   15    HB3  ALA   3          3HB       ALA   3   8.205  -0.013   4.454
   16    H    SER   4           H        SER   4   6.386   0.535   0.515
   17    HA   SER   4           HA       SER   4   8.926  -0.318  -0.514
   18    HB3  SER   4          2HB       SER   4   6.356   0.303  -1.991
   19    HG   SER   4           HG       SER   4   8.046  -1.593  -2.997
   20    H    ILE   5           H        ILE   5   9.595   0.668  -2.732
   21    HA   ILE   5           HA       ILE   5   9.416   3.599  -2.643
   22    HB   ILE   5           HB       ILE   5  11.992   2.060  -2.998
   23   HG13  ILE   5          2HG1      ILE   5  10.739   3.475  -0.687
   24   HG21  ILE   5          1HG2      ILE   5  11.217   4.681  -3.816
   25   HG22  ILE   5          2HG2      ILE   5  12.434   4.811  -2.548
   26   HG23  ILE   5          3HG2      ILE   5  12.776   3.876  -4.005
   27   HD11  ILE   5          1HD1      ILE   5  10.954   1.481   0.232
   28   HD12  ILE   5          2HD1      ILE   5  11.789   0.877  -1.199
   29   HD13  ILE   5          3HD1      ILE   5  12.706   1.632   0.104
   30    HA   PRO   6           HA       PRO   6   8.232   4.713  -3.592
   31    HB3  PRO   6          2HB       PRO   6   7.260   5.695  -5.426
   32    HG3  PRO   6          2HG       PRO   6   6.906   4.493  -7.385
   33    HD3  PRO   6          2HD       PRO   6   9.122   3.987  -7.005
   34    HA   PRO   7           HA       PRO   7   5.875   1.999  -1.059
   35    HB3  PRO   7          2HB       PRO   7   5.564   3.761   0.381
   36    HG3  PRO   7          2HG       PRO   7   5.206   5.914  -0.419
   37    HD3  PRO   7          2HD       PRO   7   7.075   5.344  -1.641
   38    H    ILE   8           H        ILE   8   3.989   0.738  -0.939
   39    HA   ILE   8           HA       ILE   8   2.223   0.978  -3.283
   40    HB   ILE   8           HB       ILE   8   2.699  -1.506  -1.638
   41   HG13  ILE   8          2HG1      ILE   8   4.132  -2.259  -3.510
   42   HG21  ILE   8          1HG2      ILE   8   1.912  -2.306  -4.109
   43   HG22  ILE   8          2HG2      ILE   8   0.830  -2.093  -2.733
   44   HG23  ILE   8          3HG2      ILE   8   1.003  -0.806  -3.926
   45   HD11  ILE   8          1HD1      ILE   8   4.603  -1.086  -5.355
   46   HD12  ILE   8          2HD1      ILE   8   3.090  -0.252  -4.994
   47   HD13  ILE   8          3HD1      ILE   8   4.627   0.454  -4.495
   48    H    CYS   9           H        CYS   9   0.028   0.943  -3.044
   49    HA   CYS   9           HA       CYS   9  -1.140   0.470  -0.421
   50    HB3  CYS   9          2HB       CYS   9  -2.454   2.683  -0.715
   51    H    HIS  10           H        HIS  10  -2.961  -0.644  -0.646
   52    HA   HIS  10           HA       HIS  10  -4.242  -0.711  -3.286
   53    HB3  HIS  10          2HB       HIS  10  -5.300  -2.808  -2.483
   54    HD1  HIS  10          1HD       HIS  10  -2.545  -1.784  -4.009
   55    HD2  HIS  10          2HD       HIS  10  -3.098  -5.057  -1.510
   56    HE1  HIS  10          1HE       HIS  10  -0.707  -3.397  -4.596
   57    H    DPN  11           H        DPN  11  -4.647   1.454  -1.368
   58    HA   DPN  11           HA       DPN  11  -7.562   1.273  -1.203
   59    HB2  DPN  11          2HB       DPN  11  -6.495   3.197  -2.394
   60    HB3  DPN  11          3HB       DPN  11  -5.800   3.707  -0.858
   61    HD1  DPN  11          1HD       DPN  11  -6.928   5.278   0.379
   62    HD2  DPN  11          2HD       DPN  11  -9.109   2.838  -2.343
   63    HE1  DPN  11          1HE       DPN  11  -8.973   6.550   0.883
   64    HE2  DPN  11          2HE       DPN  11 -11.157   4.106  -1.843
   65    HZ   DPN  11           HZ       DPN  11 -11.092   5.964  -0.229
   66    H    ARG  12           H        ARG  12  -8.339   0.568   0.670
   67    HA   ARG  12           HA       ARG  12  -7.068   1.515   3.155
   68    HB3  ARG  12          2HB       ARG  12  -9.389   1.189   4.155
   69    HG3  ARG  12          2HG       ARG  12  -8.861   3.312   2.106
   70    HD3  ARG  12          2HD       ARG  12 -10.774   4.520   3.240
   71    HE   ARG  12           HE       ARG  12 -10.928   2.832   1.070
   72   HH11  ARG  12          1HH2      ARG  12 -12.776   2.687  -0.257
   73   HH12  ARG  12          2HH2      ARG  12 -14.321   3.132   0.384
   74   HH21  ARG  12          1HH1      ARG  12 -13.092   3.968   3.547
   75   HH22  ARG  12          2HH1      ARG  12 -14.503   3.861   2.547
   76    H    TRP  13           H        TRP  13  -6.292  -0.851   1.782
   77    HA   TRP  13           HA       TRP  13  -7.296  -2.937   3.607
   78    HB3  TRP  13          2HB       TRP  13  -5.840  -3.618   1.086
   79    HD1  TRP  13           HD       TRP  13  -5.641  -6.156   1.131
   80    HE1  TRP  13          1HE       TRP  13  -7.044  -8.112   2.042
   81    HE3  TRP  13          3HE       TRP  13  -9.505  -3.502   3.171
   82    HZ2  TRP  13          2HZ       TRP  13  -9.469  -8.482   3.439
   83    HZ3  TRP  13          3HZ       TRP  13 -11.326  -4.733   4.277
   84    HH2  TRP  13           HH       TRP  13 -11.307  -7.170   4.406
   85    H    ARG  14           H        ARG  14  -4.363  -2.147   1.728
   86    HA   ARG  14           HA       ARG  14  -2.752  -2.621   4.118
   87    HB3  ARG  14          2HB       ARG  14  -1.195  -4.076   2.917
   88    HG3  ARG  14          2HG       ARG  14  -4.043  -5.033   2.809
   89    HD3  ARG  14          2HD       ARG  14  -2.736  -6.394   1.301
   90    HE   ARG  14           HE       ARG  14  -0.637  -6.143   3.218
   91   HH11  ARG  14          1HH2      ARG  14   1.354  -7.165   2.779
   92   HH12  ARG  14          2HH2      ARG  14   1.427  -8.407   1.575
   93   HH21  ARG  14          1HH1      ARG  14  -1.972  -8.232   0.773
   94   HH22  ARG  14          2HH1      ARG  14  -0.464  -9.014   0.433
  Start of MODEL    9
    1    H1   CYS   1           H        CYS   1  -1.063  -1.713   3.975
    2    HA   CYS   1           HA       CYS   1   0.045  -0.168   1.727
    3    HB3  CYS   1          2HB       CYS   1   0.533   1.562   3.660
    4    H    THR   2           H        THR   2   2.257   0.171   1.730
    5    HA   THR   2           HA       THR   2   3.828  -0.981   3.912
    6    HB   THR   2           HB       THR   2   5.336  -2.024   2.089
    7    HG1  THR   2          1HG       THR   2   2.874  -2.093   0.670
    8   HG21  THR   2          1HG2      THR   2   2.751  -3.061   3.146
    9   HG22  THR   2          2HG2      THR   2   4.399  -3.600   3.468
   10   HG23  THR   2          3HG2      THR   2   3.614  -4.024   1.947
   11    H    ALA   3           H        ALA   3   6.189  -0.490   3.647
   12    HA   ALA   3           HA       ALA   3   6.473   2.256   2.684
   13    HB1  ALA   3          1HB       ALA   3   8.231   0.600   4.488
   14    HB2  ALA   3          2HB       ALA   3   8.550   2.272   4.023
   15    HB3  ALA   3          3HB       ALA   3   7.120   1.880   4.978
   16    H    SER   4           H        SER   4   6.352   0.793   0.521
   17    HA   SER   4           HA       SER   4   8.877  -0.309  -0.287
   18    HB3  SER   4          2HB       SER   4   7.655  -0.196  -2.609
   19    HG   SER   4           HG       SER   4   7.791  -2.171  -1.725
   20    H    ILE   5           H        ILE   5   9.460   0.526  -2.724
   21    HA   ILE   5           HA       ILE   5   9.588   3.441  -2.756
   22    HB   ILE   5           HB       ILE   5  12.094   1.770  -2.962
   23   HG13  ILE   5          2HG1      ILE   5  11.192   1.808  -0.657
   24   HG21  ILE   5          1HG2      ILE   5  13.267   3.865  -3.023
   25   HG22  ILE   5          2HG2      ILE   5  12.029   3.874  -4.278
   26   HG23  ILE   5          3HG2      ILE   5  11.767   4.760  -2.777
   27   HD11  ILE   5          1HD1      ILE   5  13.317   3.678  -0.142
   28   HD12  ILE   5          2HD1      ILE   5  13.232   1.946   0.188
   29   HD13  ILE   5          3HD1      ILE   5  13.778   2.519  -1.388
   30    HA   PRO   6           HA       PRO   6   8.484   4.527  -3.830
   31    HB3  PRO   6          2HB       PRO   6   7.641   5.423  -5.771
   32    HG3  PRO   6          2HG       PRO   6   7.321   4.105  -7.661
   33    HD3  PRO   6          2HD       PRO   6   9.492   3.532  -7.142
   34    HA   PRO   7           HA       PRO   7   5.908   2.083  -1.235
   35    HB3  PRO   7          2HB       PRO   7   5.650   3.940   0.093
   36    HG3  PRO   7          2HG       PRO   7   5.440   6.061  -0.839
   37    HD3  PRO   7          2HD       PRO   7   7.314   5.319  -1.958
   38    H    ILE   8           H        ILE   8   3.934   0.956  -1.097
   39    HA   ILE   8           HA       ILE   8   2.098   1.336  -3.369
   40    HB   ILE   8           HB       ILE   8   3.219  -1.249  -2.303
   41   HG13  ILE   8          2HG1      ILE   8   3.355   0.277  -4.867
   42   HG21  ILE   8          1HG2      ILE   8   0.782  -0.797  -4.006
   43   HG22  ILE   8          2HG2      ILE   8   1.634  -2.338  -3.933
   44   HG23  ILE   8          3HG2      ILE   8   0.894  -1.669  -2.479
   45   HD11  ILE   8          1HD1      ILE   8   5.285   0.273  -3.358
   46   HD12  ILE   8          2HD1      ILE   8   5.358  -1.485  -3.477
   47   HD13  ILE   8          3HD1      ILE   8   5.642  -0.493  -4.906
   48    H    CYS   9           H        CYS   9  -0.056   1.154  -2.950
   49    HA   CYS   9           HA       CYS   9  -0.950   0.152  -0.368
   50    HB3  CYS   9          2HB       CYS   9  -2.424   2.322  -0.251
   51    H    HIS  10           H        HIS  10  -3.107  -0.489  -0.333
   52    HA   HIS  10           HA       HIS  10  -4.421  -0.523  -2.970
   53    HB3  HIS  10          2HB       HIS  10  -5.570  -2.592  -2.138
   54    HD1  HIS  10          1HD       HIS  10  -4.474  -3.346  -4.345
   55    HD2  HIS  10          2HD       HIS  10  -1.874  -3.279  -1.105
   56    HE1  HIS  10          1HE       HIS  10  -2.422  -4.586  -5.104
   57    H    DPN  11           H        DPN  11  -4.766   1.693  -1.344
   58    HA   DPN  11           HA       DPN  11  -7.627   1.636  -0.985
   59    HB2  DPN  11          2HB       DPN  11  -6.263   3.562  -1.977
   60    HB3  DPN  11          3HB       DPN  11  -5.802   3.941  -0.321
   61    HD1  DPN  11          1HD       DPN  11  -7.713   4.321   1.358
   62    HD2  DPN  11          2HD       DPN  11  -8.219   4.421  -2.866
   63    HE1  DPN  11          1HE       DPN  11  -9.785   5.618   1.642
   64    HE2  DPN  11          2HE       DPN  11 -10.292   5.716  -2.590
   65    HZ   DPN  11           HZ       DPN  11 -11.077   6.316  -0.335
   66    H    ARG  12           H        ARG  12  -8.185   0.472   0.795
   67    HA   ARG  12           HA       ARG  12  -7.021   1.313   3.367
   68    HB3  ARG  12          2HB       ARG  12  -9.180   2.306   3.302
   69    HG3  ARG  12          2HG       ARG  12 -10.249  -0.368   2.427
   70    HD3  ARG  12          2HD       ARG  12 -12.372   1.198   2.271
   71    HE   ARG  12           HE       ARG  12 -11.644  -0.734   4.102
   72   HH11  ARG  12          1HH2      ARG  12 -13.081  -1.523   5.688
   73   HH12  ARG  12          2HH2      ARG  12 -14.416  -0.543   6.190
   74   HH21  ARG  12          1HH1      ARG  12 -13.636   2.120   4.063
   75   HH22  ARG  12          2HH1      ARG  12 -14.733   1.528   5.267
   76    H    TRP  13           H        TRP  13  -6.404  -0.971   1.609
   77    HA   TRP  13           HA       TRP  13  -7.266  -3.199   3.329
   78    HB3  TRP  13          2HB       TRP  13  -5.917  -3.613   0.686
   79    HD1  TRP  13           HD       TRP  13  -5.483  -6.134   0.782
   80    HE1  TRP  13          1HE       TRP  13  -6.844  -8.213   1.458
   81    HE3  TRP  13          3HE       TRP  13  -9.686  -3.817   2.547
   82    HZ2  TRP  13          2HZ       TRP  13  -9.363  -8.793   2.589
   83    HZ3  TRP  13          3HZ       TRP  13 -11.524  -5.206   3.409
   84    HH2  TRP  13           HH       TRP  13 -11.365  -7.643   3.428
   85    H    ARG  14           H        ARG  14  -4.412  -2.397   1.335
   86    HA   ARG  14           HA       ARG  14  -2.714  -3.127   3.621
   87    HB3  ARG  14          2HB       ARG  14  -2.373  -4.018   0.755
   88    HG3  ARG  14          2HG       ARG  14  -0.443  -4.005   3.020
   89    HD3  ARG  14          2HD       ARG  14  -0.337  -6.039   0.806
   90    HE   ARG  14           HE       ARG  14   1.542  -5.281   2.755
   91   HH11  ARG  14          1HH2      ARG  14   3.384  -6.575   3.132
   92   HH12  ARG  14          2HH2      ARG  14   3.374  -8.234   2.640
   93   HH21  ARG  14          1HH1      ARG  14   0.131  -8.129   1.336
   94   HH22  ARG  14          2HH1      ARG  14   1.525  -9.119   1.618
  Start of MODEL   10
    1    H1   CYS   1           H        CYS   1  -0.876  -1.592   3.932
    2    HA   CYS   1           HA       CYS   1   0.180  -0.294   1.520
    3    HB3  CYS   1          2HB       CYS   1   0.107   1.258   4.073
    4    H    THR   2           H        THR   2   2.337  -0.368   1.357
    5    HA   THR   2           HA       THR   2   3.876  -1.131   3.752
    6    HB   THR   2           HB       THR   2   5.466  -2.257   2.108
    7    HG1  THR   2          1HG       THR   2   4.908  -2.305   0.066
    8   HG21  THR   2          1HG2      THR   2   2.683  -3.372   2.470
    9   HG22  THR   2          2HG2      THR   2   4.041  -3.555   3.579
   10   HG23  THR   2          3HG2      THR   2   4.096  -4.310   1.988
   11    H    ALA   3           H        ALA   3   6.138  -0.473   3.738
   12    HA   ALA   3           HA       ALA   3   6.423   2.215   2.695
   13    HB1  ALA   3          1HB       ALA   3   8.229   0.569   4.462
   14    HB2  ALA   3          2HB       ALA   3   8.499   2.257   4.028
   15    HB3  ALA   3          3HB       ALA   3   7.085   1.808   4.982
   16    H    SER   4           H        SER   4   6.320   0.725   0.523
   17    HA   SER   4           HA       SER   4   8.899  -0.249  -0.304
   18    HB3  SER   4          2HB       SER   4   6.398   0.261  -1.936
   19    HG   SER   4           HG       SER   4   8.611  -1.418  -2.507
   20    H    ILE   5           H        ILE   5   9.726   0.553  -2.521
   21    HA   ILE   5           HA       ILE   5   9.561   3.483  -2.679
   22    HB   ILE   5           HB       ILE   5  11.599   3.117  -1.504
   23   HG13  ILE   5          2HG1      ILE   5  12.265   3.477  -4.436
   24   HG21  ILE   5          1HG2      ILE   5  12.557   1.115  -1.609
   25   HG22  ILE   5          2HG2      ILE   5  11.711   0.725  -3.107
   26   HG23  ILE   5          3HG2      ILE   5  13.244   1.595  -3.162
   27   HD11  ILE   5          1HD1      ILE   5  10.643   5.112  -3.982
   28   HD12  ILE   5          2HD1      ILE   5  11.309   5.441  -2.381
   29   HD13  ILE   5          3HD1      ILE   5  12.200   5.923  -3.825
   30    HA   PRO   6           HA       PRO   6   8.437   4.539  -3.758
   31    HB3  PRO   6          2HB       PRO   6   7.557   5.394  -5.701
   32    HG3  PRO   6          2HG       PRO   6   7.266   4.052  -7.578
   33    HD3  PRO   6          2HD       PRO   6   9.456   3.549  -7.067
   34    HA   PRO   7           HA       PRO   7   5.934   2.053  -1.133
   35    HB3  PRO   7          2HB       PRO   7   5.592   3.923   0.157
   36    HG3  PRO   7          2HG       PRO   7   5.302   6.015  -0.815
   37    HD3  PRO   7          2HD       PRO   7   7.210   5.330  -1.910
   38    H    ILE   8           H        ILE   8   3.924   0.937  -0.920
   39    HA   ILE   8           HA       ILE   8   2.245   1.042  -3.341
   40    HB   ILE   8           HB       ILE   8   2.742  -1.413  -1.661
   41   HG13  ILE   8          2HG1      ILE   8   4.185  -2.177  -3.523
   42   HG21  ILE   8          1HG2      ILE   8   1.881  -2.496  -3.815
   43   HG22  ILE   8          2HG2      ILE   8   0.710  -1.680  -2.780
   44   HG23  ILE   8          3HG2      ILE   8   1.302  -0.884  -4.238
   45   HD11  ILE   8          1HD1      ILE   8   4.685  -1.003  -5.367
   46   HD12  ILE   8          2HD1      ILE   8   3.129  -0.233  -5.051
   47   HD13  ILE   8          3HD1      ILE   8   4.622   0.546  -4.529
   48    H    CYS   9           H        CYS   9   0.066   1.084  -3.102
   49    HA   CYS   9           HA       CYS   9  -1.123   0.585  -0.493
   50    HB3  CYS   9          2HB       CYS   9  -2.397   2.788  -0.686
   51    H    HIS  10           H        HIS  10  -3.042  -0.390  -0.676
   52    HA   HIS  10           HA       HIS  10  -4.345  -0.360  -3.319
   53    HB3  HIS  10          2HB       HIS  10  -5.357  -2.577  -2.485
   54    HD1  HIS  10          1HD       HIS  10  -3.068  -1.237  -4.525
   55    HD2  HIS  10          2HD       HIS  10  -3.037  -4.864  -2.501
   56    HE1  HIS  10          1HE       HIS  10  -1.480  -2.708  -5.805
   57    H    DPN  11           H        DPN  11  -4.745   1.546  -1.133
   58    HA   DPN  11           HA       DPN  11  -7.641   1.239  -0.899
   59    HB2  DPN  11          2HB       DPN  11  -6.575   3.354  -1.803
   60    HB3  DPN  11          3HB       DPN  11  -5.991   3.661  -0.170
   61    HD1  DPN  11          1HD       DPN  11  -7.219   5.161   1.038
   62    HD2  DPN  11          2HD       DPN  11  -9.212   2.683  -1.790
   63    HE1  DPN  11          1HE       DPN  11  -9.355   6.247   1.597
   64    HE2  DPN  11          2HE       DPN  11 -11.352   3.764  -1.235
   65    HZ   DPN  11           HZ       DPN  11 -11.426   5.547   0.462
   66    H    ARG  12           H        ARG  12  -8.686   0.940   0.983
   67    HA   ARG  12           HA       ARG  12  -7.272   1.341   3.506
   68    HB3  ARG  12          2HB       ARG  12 -10.097   0.388   3.386
   69    HG3  ARG  12          2HG       ARG  12  -9.108   2.690   4.996
   70    HD3  ARG  12          2HD       ARG  12 -11.293   0.671   5.115
   71    HE   ARG  12           HE       ARG  12  -9.881   1.004   7.386
   72   HH11  ARG  12          1HH2      ARG  12 -10.741   1.009   9.499
   73   HH12  ARG  12          2HH2      ARG  12 -12.384   1.496   9.749
   74   HH21  ARG  12          1HH1      ARG  12 -13.019   2.114   6.367
   75   HH22  ARG  12          2HH1      ARG  12 -13.681   2.122   7.968
   76    H    TRP  13           H        TRP  13  -6.308  -0.782   1.979
   77    HA   TRP  13           HA       TRP  13  -7.212  -3.105   3.552
   78    HB3  TRP  13          2HB       TRP  13  -6.075  -4.326   1.464
   79    HD1  TRP  13           HD       TRP  13  -7.883  -6.145   1.630
   80    HE1  TRP  13          1HE       TRP  13 -10.426  -6.241   1.251
   81    HE3  TRP  13          3HE       TRP  13  -8.785  -1.163   0.919
   82    HZ2  TRP  13          2HZ       TRP  13 -12.536  -4.442   0.718
   83    HZ3  TRP  13          3HZ       TRP  13 -11.094  -0.434   0.479
   84    HH2  TRP  13           HH       TRP  13 -12.929  -2.041   0.381
   85    H    ARG  14           H        ARG  14  -4.398  -2.412   1.482
   86    HA   ARG  14           HA       ARG  14  -2.660  -2.933   3.796
   87    HB3  ARG  14          2HB       ARG  14  -1.087  -4.070   2.166
   88    HG3  ARG  14          2HG       ARG  14  -2.604  -6.164   1.918
   89    HD3  ARG  14          2HD       ARG  14  -0.847  -5.558   3.722
   90    HE   ARG  14           HE       ARG  14  -3.070  -4.437   4.988
   91   HH11  ARG  14          1HH2      ARG  14  -3.025  -3.938   7.212
   92   HH12  ARG  14          2HH2      ARG  14  -1.882  -4.732   8.241
   93   HH21  ARG  14          1HH1      ARG  14  -0.470  -6.646   5.678
   94   HH22  ARG  14          2HH1      ARG  14  -0.427  -6.273   7.369
  Start of MODEL   11
    1    H1   CYS   1           H        CYS   1  -0.928  -2.015   3.827
    2    HA   CYS   1           HA       CYS   1   0.049  -0.280   1.675
    3    HB3  CYS   1          2HB       CYS   1   0.149   0.821   4.435
    4    H    THR   2           H        THR   2   2.240  -0.079   1.561
    5    HA   THR   2           HA       THR   2   3.846  -1.283   3.709
    6    HB   THR   2           HB       THR   2   5.206  -2.521   2.185
    7    HG1  THR   2          1HG       THR   2   5.169  -2.219   0.043
    8   HG21  THR   2          1HG2      THR   2   2.602  -3.201   0.964
    9   HG22  THR   2          2HG2      THR   2   2.662  -3.212   2.727
   10   HG23  THR   2          3HG2      THR   2   3.765  -4.229   1.800
   11    H    ALA   3           H        ALA   3   6.177  -0.725   3.523
   12    HA   ALA   3           HA       ALA   3   6.442   2.071   2.714
   13    HB1  ALA   3          1HB       ALA   3   8.498   2.039   4.081
   14    HB2  ALA   3          2HB       ALA   3   7.063   1.569   4.992
   15    HB3  ALA   3          3HB       ALA   3   8.202   0.339   4.443
   16    H    SER   4           H        SER   4   6.370   0.778   0.462
   17    HA   SER   4           HA       SER   4   8.937  -0.241  -0.363
   18    HB3  SER   4          2HB       SER   4   7.726  -0.070  -2.689
   19    HG   SER   4           HG       SER   4   8.058  -2.001  -1.370
   20    H    ILE   5           H        ILE   5   9.506   0.720  -2.758
   21    HA   ILE   5           HA       ILE   5   9.533   3.636  -2.656
   22    HB   ILE   5           HB       ILE   5  11.557   3.168  -1.491
   23   HG13  ILE   5          2HG1      ILE   5  11.533   4.784  -3.535
   24   HG21  ILE   5          1HG2      ILE   5  13.200   1.719  -3.199
   25   HG22  ILE   5          2HG2      ILE   5  12.456   1.146  -1.705
   26   HG23  ILE   5          3HG2      ILE   5  11.649   0.879  -3.252
   27   HD11  ILE   5          1HD1      ILE   5  13.724   3.945  -1.835
   28   HD12  ILE   5          2HD1      ILE   5  14.270   4.600  -3.378
   29   HD13  ILE   5          3HD1      ILE   5  13.227   5.562  -2.332
   30    HA   PRO   6           HA       PRO   6   8.385   4.732  -3.677
   31    HB3  PRO   6          2HB       PRO   6   7.509   5.689  -5.572
   32    HG3  PRO   6          2HG       PRO   6   7.231   4.452  -7.522
   33    HD3  PRO   6          2HD       PRO   6   9.422   3.932  -7.031
   34    HA   PRO   7           HA       PRO   7   5.909   2.074  -1.200
   35    HB3  PRO   7          2HB       PRO   7   5.598   3.852   0.222
   36    HG3  PRO   7          2HG       PRO   7   5.315   6.009  -0.600
   37    HD3  PRO   7          2HD       PRO   7   7.206   5.387  -1.761
   38    H    ILE   8           H        ILE   8   3.974   0.877  -1.115
   39    HA   ILE   8           HA       ILE   8   2.118   1.310  -3.360
   40    HB   ILE   8           HB       ILE   8   3.324  -1.285  -2.421
   41   HG13  ILE   8          2HG1      ILE   8   3.391   0.361  -4.913
   42   HG21  ILE   8          1HG2      ILE   8   1.063  -1.853  -2.607
   43   HG22  ILE   8          2HG2      ILE   8   0.821  -0.804  -4.001
   44   HG23  ILE   8          3HG2      ILE   8   1.751  -2.293  -4.169
   45   HD11  ILE   8          1HD1      ILE   8   5.460  -1.389  -3.608
   46   HD12  ILE   8          2HD1      ILE   8   5.703  -0.331  -4.999
   47   HD13  ILE   8          3HD1      ILE   8   5.328   0.360  -3.420
   48    H    CYS   9           H        CYS   9  -0.029   1.046  -2.947
   49    HA   CYS   9           HA       CYS   9  -0.873  -0.084  -0.394
   50    HB3  CYS   9          2HB       CYS   9  -2.319   1.896   0.068
   51    H    HIS  10           H        HIS  10  -3.110  -0.633  -0.319
   52    HA   HIS  10           HA       HIS  10  -4.349  -0.807  -2.988
   53    HB3  HIS  10          2HB       HIS  10  -5.577  -2.810  -1.936
   54    HD1  HIS  10          1HD       HIS  10  -4.929  -4.823  -3.239
   55    HD2  HIS  10          2HD       HIS  10  -1.672  -2.374  -2.424
   56    HE1  HIS  10          1HE       HIS  10  -2.998  -5.833  -4.493
   57    H    DPN  11           H        DPN  11  -4.758   1.487  -1.543
   58    HA   DPN  11           HA       DPN  11  -7.622   1.365  -1.122
   59    HB2  DPN  11          2HB       DPN  11  -5.615   3.521  -1.558
   60    HB3  DPN  11          3HB       DPN  11  -7.085   3.945  -0.687
   61    HD1  DPN  11          1HD       DPN  11  -8.374   5.193  -2.139
   62    HD2  DPN  11          2HD       DPN  11  -6.544   1.615  -3.539
   63    HE1  DPN  11          1HE       DPN  11  -9.571   5.421  -4.275
   64    HE2  DPN  11          2HE       DPN  11  -7.739   1.836  -5.677
   65    HZ   DPN  11           HZ       DPN  11  -9.254   3.742  -6.049
   66    H    ARG  12           H        ARG  12  -8.197   0.590   0.822
   67    HA   ARG  12           HA       ARG  12  -6.875   1.719   3.200
   68    HB3  ARG  12          2HB       ARG  12  -9.010   1.812   4.335
   69    HG3  ARG  12          2HG       ARG  12 -10.231   3.099   2.166
   70    HD3  ARG  12          2HD       ARG  12  -8.313   4.476   4.000
   71    HE   ARG  12           HE       ARG  12 -10.689   5.256   2.592
   72   HH11  ARG  12          1HH2      ARG  12 -11.339   7.436   2.750
   73   HH12  ARG  12          2HH2      ARG  12 -10.669   8.438   3.992
   74   HH21  ARG  12          1HH1      ARG  12  -8.650   5.918   5.335
   75   HH22  ARG  12          2HH1      ARG  12  -9.139   7.575   5.462
   76    H    TRP  13           H        TRP  13  -6.416  -0.810   1.775
   77    HA   TRP  13           HA       TRP  13  -7.227  -2.704   3.881
   78    HB3  TRP  13          2HB       TRP  13  -6.487  -4.358   1.904
   79    HD1  TRP  13           HD       TRP  13  -9.406  -3.103   0.190
   80    HE1  TRP  13          1HE       TRP  13 -11.577  -4.121   1.124
   81    HE3  TRP  13          3HE       TRP  13  -7.586  -5.024   4.565
   82    HZ2  TRP  13          2HZ       TRP  13 -12.409  -5.551   3.412
   83    HZ3  TRP  13          3HZ       TRP  13  -9.135  -6.201   6.071
   84    HH2  TRP  13           HH       TRP  13 -11.497  -6.458   5.504
   85    H    ARG  14           H        ARG  14  -4.648  -2.497   1.423
   86    HA   ARG  14           HA       ARG  14  -2.732  -3.291   3.515
   87    HB3  ARG  14          2HB       ARG  14  -2.588  -3.704   0.524
   88    HG3  ARG  14          2HG       ARG  14  -0.649  -4.379   2.709
   89    HD3  ARG  14          2HD       ARG  14  -0.726  -5.569  -0.060
   90    HE   ARG  14           HE       ARG  14   1.463  -5.302   1.488
   91   HH11  ARG  14          1HH2      ARG  14   3.214  -6.762   1.581
   92   HH12  ARG  14          2HH2      ARG  14   2.950  -8.433   1.213
   93   HH21  ARG  14          1HH1      ARG  14  -0.467  -8.052   0.571
   94   HH22  ARG  14          2HH1      ARG  14   0.857  -9.167   0.638
  Start of MODEL   12
    1    H1   CYS   1           H        CYS   1  -0.814  -1.352   4.095
    2    HA   CYS   1           HA       CYS   1   0.226  -0.148   1.624
    3    HB3  CYS   1          2HB       CYS   1   0.261   1.450   4.149
    4    H    THR   2           H        THR   2   2.346  -0.412   1.377
    5    HA   THR   2           HA       THR   2   3.920  -1.256   3.721
    6    HB   THR   2           HB       THR   2   5.459  -2.342   2.148
    7    HG1  THR   2          1HG       THR   2   5.338  -1.399   0.221
    8   HG21  THR   2          1HG2      THR   2   4.218  -4.229   2.033
    9   HG22  THR   2          2HG2      THR   2   2.886  -3.425   1.200
   10   HG23  THR   2          3HG2      THR   2   3.050  -3.279   2.949
   11    H    ALA   3           H        ALA   3   6.337  -0.758   3.428
   12    HA   ALA   3           HA       ALA   3   6.559   2.092   2.782
   13    HB1  ALA   3          1HB       ALA   3   8.385   0.311   4.393
   14    HB2  ALA   3          2HB       ALA   3   8.601   2.042   4.139
   15    HB3  ALA   3          3HB       ALA   3   7.203   1.452   5.036
   16    H    SER   4           H        SER   4   6.499   0.300   0.609
   17    HA   SER   4           HA       SER   4   9.061  -0.446  -0.304
   18    HB3  SER   4          2HB       SER   4   6.683   0.252  -2.038
   19    HG   SER   4           HG       SER   4   7.717  -0.848  -3.534
   20    H    ILE   5           H        ILE   5   9.520   0.546  -2.741
   21    HA   ILE   5           HA       ILE   5   9.496   3.452  -2.649
   22    HB   ILE   5           HB       ILE   5  12.095   1.916  -2.761
   23   HG13  ILE   5          2HG1      ILE   5  11.184   2.041  -0.491
   24   HG21  ILE   5          1HG2      ILE   5  11.401   4.445  -3.814
   25   HG22  ILE   5          2HG2      ILE   5  12.425   4.722  -2.406
   26   HG23  ILE   5          3HG2      ILE   5  12.997   3.699  -3.723
   27   HD11  ILE   5          1HD1      ILE   5  13.256   4.189  -0.536
   28   HD12  ILE   5          2HD1      ILE   5  13.012   2.887   0.630
   29   HD13  ILE   5          3HD1      ILE   5  13.674   2.529  -0.965
   30    HA   PRO   6           HA       PRO   6   8.409   4.553  -3.719
   31    HB3  PRO   6          2HB       PRO   6   7.584   5.477  -5.652
   32    HG3  PRO   6          2HG       PRO   6   7.351   4.208  -7.587
   33    HD3  PRO   6          2HD       PRO   6   9.529   3.694  -7.033
   34    HA   PRO   7           HA       PRO   7   5.904   1.908  -1.254
   35    HB3  PRO   7          2HB       PRO   7   5.638   3.682   0.182
   36    HG3  PRO   7          2HG       PRO   7   5.407   5.851  -0.622
   37    HD3  PRO   7          2HD       PRO   7   7.282   5.193  -1.790
   38    H    ILE   8           H        ILE   8   3.704   1.034  -0.978
   39    HA   ILE   8           HA       ILE   8   2.020   1.364  -3.368
   40    HB   ILE   8           HB       ILE   8   2.863  -1.236  -2.091
   41   HG13  ILE   8          2HG1      ILE   8   3.357   0.132  -4.704
   42   HG21  ILE   8          1HG2      ILE   8   1.347  -2.213  -3.922
   43   HG22  ILE   8          2HG2      ILE   8   0.589  -1.583  -2.460
   44   HG23  ILE   8          3HG2      ILE   8   0.584  -0.623  -3.940
   45   HD11  ILE   8          1HD1      ILE   8   5.279   0.210  -3.458
   46   HD12  ILE   8          2HD1      ILE   8   4.985  -1.358  -2.706
   47   HD13  ILE   8          3HD1      ILE   8   5.522  -1.272  -4.383
   48    H    CYS   9           H        CYS   9  -0.163   1.314  -3.042
   49    HA   CYS   9           HA       CYS   9  -1.202   0.582  -0.418
   50    HB3  CYS   9          2HB       CYS   9  -2.492   2.714  -0.276
   51    H    HIS  10           H        HIS  10  -3.022  -0.543  -0.624
   52    HA   HIS  10           HA       HIS  10  -4.434  -0.445  -3.198
   53    HB3  HIS  10          2HB       HIS  10  -5.409  -2.640  -2.454
   54    HD1  HIS  10          1HD       HIS  10  -4.302  -3.137  -4.742
   55    HD2  HIS  10          2HD       HIS  10  -1.662  -3.135  -1.533
   56    HE1  HIS  10          1HE       HIS  10  -2.187  -4.180  -5.612
   57    H    DPN  11           H        DPN  11  -4.919   1.638  -1.417
   58    HA   DPN  11           HA       DPN  11  -7.766   1.310  -1.023
   59    HB2  DPN  11          2HB       DPN  11  -6.684   3.379  -2.014
   60    HB3  DPN  11          3HB       DPN  11  -6.103   3.750  -0.394
   61    HD1  DPN  11          1HD       DPN  11  -7.357   5.192   0.868
   62    HD2  DPN  11          2HD       DPN  11  -9.294   2.836  -2.100
   63    HE1  DPN  11          1HE       DPN  11  -9.487   6.311   1.377
   64    HE2  DPN  11          2HE       DPN  11 -11.429   3.952  -1.596
   65    HZ   DPN  11           HZ       DPN  11 -11.527   5.692   0.143
   66    H    ARG  12           H        ARG  12  -8.545   0.487   0.793
   67    HA   ARG  12           HA       ARG  12  -7.229   1.195   3.331
   68    HB3  ARG  12          2HB       ARG  12  -9.379   0.939   4.413
   69    HG3  ARG  12          2HG       ARG  12  -9.767   2.531   1.886
   70    HD3  ARG  12          2HD       ARG  12 -11.142   2.550   4.564
   71    HE   ARG  12           HE       ARG  12 -12.031   4.535   2.725
   72   HH11  ARG  12          1HH2      ARG  12 -11.745   6.731   3.272
   73   HH12  ARG  12          2HH2      ARG  12 -10.619   7.158   4.516
   74   HH21  ARG  12          1HH1      ARG  12  -9.654   3.864   5.178
   75   HH22  ARG  12          2HH1      ARG  12  -9.429   5.530   5.601
   76    H    TRP  13           H        TRP  13  -6.332  -0.969   1.725
   77    HA   TRP  13           HA       TRP  13  -7.202  -3.297   3.305
   78    HB3  TRP  13          2HB       TRP  13  -5.975  -4.539   1.350
   79    HD1  TRP  13           HD       TRP  13  -8.807  -2.232   0.108
   80    HE1  TRP  13          1HE       TRP  13 -10.933  -3.653  -0.181
   81    HE3  TRP  13          3HE       TRP  13  -7.095  -6.654   2.021
   82    HZ2  TRP  13          2HZ       TRP  13 -11.772  -6.299   0.332
   83    HZ3  TRP  13          3HZ       TRP  13  -8.622  -8.580   2.086
   84    HH2  TRP  13           HH       TRP  13 -10.913  -8.405   1.259
   85    H    ARG  14           H        ARG  14  -4.287  -2.071   1.648
   86    HA   ARG  14           HA       ARG  14  -2.711  -2.619   4.029
   87    HB3  ARG  14          2HB       ARG  14  -2.613  -4.736   2.810
   88    HG3  ARG  14          2HG       ARG  14  -1.532  -3.098   0.530
   89    HD3  ARG  14          2HD       ARG  14  -0.279  -5.232   1.001
   90    HE   ARG  14           HE       ARG  14  -2.846  -6.381   1.078
   91   HH11  ARG  14          1HH2      ARG  14  -3.079  -8.650   1.102
   92   HH12  ARG  14          2HH2      ARG  14  -1.773  -9.646   0.553
   93   HH21  ARG  14          1HH1      ARG  14   0.337  -6.962  -0.203
   94   HH22  ARG  14          2HH1      ARG  14   0.170  -8.687  -0.189
  Start of MODEL   13
    1    H1   CYS   1           H        CYS   1  -0.680  -1.333   4.043
    2    HA   CYS   1           HA       CYS   1   0.270  -0.124   1.541
    3    HB3  CYS   1          2HB       CYS   1   0.348   1.420   4.121
    4    H    THR   2           H        THR   2   2.328  -0.605   1.190
    5    HA   THR   2           HA       THR   2   3.959  -1.569   3.426
    6    HB   THR   2           HB       THR   2   5.534  -2.176   1.414
    7    HG1  THR   2          1HG       THR   2   2.989  -2.104   0.131
    8   HG21  THR   2          1HG2      THR   2   4.216  -4.313   1.101
    9   HG22  THR   2          2HG2      THR   2   2.979  -3.601   2.138
   10   HG23  THR   2          3HG2      THR   2   4.601  -3.889   2.769
   11    H    ALA   3           H        ALA   3   6.272  -0.977   3.441
   12    HA   ALA   3           HA       ALA   3   6.561   1.886   2.972
   13    HB1  ALA   3          1HB       ALA   3   7.144   1.140   5.173
   14    HB2  ALA   3          2HB       ALA   3   8.248  -0.073   4.520
   15    HB3  ALA   3          3HB       ALA   3   8.619   1.644   4.347
   16    H    SER   4           H        SER   4   6.539   0.474   0.614
   17    HA   SER   4           HA       SER   4   9.227  -0.122  -0.231
   18    HB3  SER   4          2HB       SER   4   6.790   0.240  -1.984
   19    HG   SER   4           HG       SER   4   8.577  -1.710  -2.607
   20    H    ILE   5           H        ILE   5   9.565   0.924  -2.661
   21    HA   ILE   5           HA       ILE   5   9.122   3.796  -2.585
   22    HB   ILE   5           HB       ILE   5  11.918   2.654  -2.643
   23   HG13  ILE   5          2HG1      ILE   5  10.962   2.659  -0.390
   24   HG21  ILE   5          1HG2      ILE   5  12.568   4.541  -3.608
   25   HG22  ILE   5          2HG2      ILE   5  10.884   5.047  -3.730
   26   HG23  ILE   5          3HG2      ILE   5  11.833   5.481  -2.309
   27   HD11  ILE   5          1HD1      ILE   5  12.591   5.097  -0.180
   28   HD12  ILE   5          2HD1      ILE   5  12.732   3.554   0.662
   29   HD13  ILE   5          3HD1      ILE   5  13.354   3.722  -0.979
   30    HA   PRO   6           HA       PRO   6   7.910   4.726  -3.681
   31    HB3  PRO   6          2HB       PRO   6   6.991   5.515  -5.633
   32    HG3  PRO   6          2HG       PRO   6   6.977   4.216  -7.563
   33    HD3  PRO   6          2HD       PRO   6   9.196   4.023  -6.970
   34    HA   PRO   7           HA       PRO   7   5.758   1.765  -1.241
   35    HB3  PRO   7          2HB       PRO   7   5.196   3.491   0.167
   36    HG3  PRO   7          2HG       PRO   7   4.667   5.595  -0.669
   37    HD3  PRO   7          2HD       PRO   7   6.644   5.212  -1.787
   38    H    ILE   8           H        ILE   8   3.594   0.692  -0.943
   39    HA   ILE   8           HA       ILE   8   1.993   0.694  -3.408
   40    HB   ILE   8           HB       ILE   8   3.140  -1.727  -2.024
   41   HG13  ILE   8          2HG1      ILE   8   3.423  -0.469  -4.738
   42   HG21  ILE   8          1HG2      ILE   8   0.744  -1.446  -3.759
   43   HG22  ILE   8          2HG2      ILE   8   1.774  -2.857  -3.983
   44   HG23  ILE   8          3HG2      ILE   8   1.042  -2.541  -2.410
   45   HD11  ILE   8          1HD1      ILE   8   5.496  -0.063  -4.104
   46   HD12  ILE   8          2HD1      ILE   8   5.112  -0.703  -2.507
   47   HD13  ILE   8          3HD1      ILE   8   5.756  -1.772  -3.753
   48    H    CYS   9           H        CYS   9   0.141   1.538  -2.635
   49    HA   CYS   9           HA       CYS   9  -1.053   0.255  -0.265
   50    HB3  CYS   9          2HB       CYS   9  -2.165   2.312   0.254
   51    H    HIS  10           H        HIS  10  -2.980  -0.707  -0.486
   52    HA   HIS  10           HA       HIS  10  -4.263  -0.582  -3.119
   53    HB3  HIS  10          2HB       HIS  10  -5.532  -2.620  -2.170
   54    HD1  HIS  10          1HD       HIS  10  -3.838  -2.131  -4.630
   55    HD2  HIS  10          2HD       HIS  10  -2.679  -4.652  -1.537
   56    HE1  HIS  10          1HE       HIS  10  -2.174  -3.720  -5.644
   57    H    DPN  11           H        DPN  11  -4.620   1.596  -1.344
   58    HA   DPN  11           HA       DPN  11  -7.517   1.559  -1.157
   59    HB2  DPN  11          2HB       DPN  11  -6.506   3.505  -2.179
   60    HB3  DPN  11          3HB       DPN  11  -5.494   3.772  -0.763
   61    HD1  DPN  11          1HD       DPN  11  -6.199   5.212   0.902
   62    HD2  DPN  11          2HD       DPN  11  -9.058   3.604  -1.810
   63    HE1  DPN  11          1HE       DPN  11  -7.928   6.674   1.865
   64    HE2  DPN  11          2HE       DPN  11 -10.792   5.063  -0.851
   65    HZ   DPN  11           HZ       DPN  11 -10.229   6.600   0.989
   66    H    ARG  12           H        ARG  12  -8.300   0.617   0.626
   67    HA   ARG  12           HA       ARG  12  -7.206   1.481   3.221
   68    HB3  ARG  12          2HB       ARG  12  -9.397   1.272   4.162
   69    HG3  ARG  12          2HG       ARG  12 -10.053   2.486   1.512
   70    HD3  ARG  12          2HD       ARG  12 -11.242   4.090   2.866
   71    HE   ARG  12           HE       ARG  12 -12.212   1.762   4.219
   72   HH11  ARG  12          1HH2      ARG  12 -14.025   0.695   3.342
   73   HH12  ARG  12          2HH2      ARG  12 -14.500   1.021   1.710
   74   HH21  ARG  12          1HH1      ARG  12 -11.931   3.320   1.119
   75   HH22  ARG  12          2HH1      ARG  12 -13.309   2.514   0.443
   76    H    TRP  13           H        TRP  13  -6.398  -0.821   1.527
   77    HA   TRP  13           HA       TRP  13  -7.215  -3.069   3.227
   78    HB3  TRP  13          2HB       TRP  13  -5.545  -3.356   0.749
   79    HD1  TRP  13           HD       TRP  13  -4.721  -5.737   1.523
   80    HE1  TRP  13          1HE       TRP  13  -5.917  -7.991   1.864
   81    HE3  TRP  13          3HE       TRP  13  -9.564  -4.106   1.413
   82    HZ2  TRP  13          2HZ       TRP  13  -8.565  -8.949   2.059
   83    HZ3  TRP  13          3HZ       TRP  13 -11.369  -5.755   1.684
   84    HH2  TRP  13           HH       TRP  13 -10.878  -8.126   1.999
   85    H    ARG  14           H        ARG  14  -4.212  -2.066   1.574
   86    HA   ARG  14           HA       ARG  14  -2.746  -2.418   4.073
   87    HB3  ARG  14          2HB       ARG  14  -0.966  -3.650   2.580
   88    HG3  ARG  14          2HG       ARG  14  -2.138  -5.871   3.011
   89    HD3  ARG  14          2HD       ARG  14  -1.604  -3.859   5.182
   90    HE   ARG  14           HE       ARG  14  -2.683  -6.492   5.531
   91   HH11  ARG  14          1HH2      ARG  14  -2.892  -7.279   7.663
   92   HH12  ARG  14          2HH2      ARG  14  -2.038  -6.494   8.947
   93   HH21  ARG  14          1HH1      ARG  14  -0.561  -4.087   6.885
   94   HH22  ARG  14          2HH1      ARG  14  -0.712  -4.676   8.506
  Start of MODEL   14
    1    H1   CYS   1           H        CYS   1  -0.733  -1.651   3.655
    2    HA   CYS   1           HA       CYS   1   0.260   0.103   1.539
    3    HB3  CYS   1          2HB       CYS   1  -0.124   1.240   4.293
    4    H    THR   2           H        THR   2   2.332  -0.400   1.349
    5    HA   THR   2           HA       THR   2   3.853  -1.086   3.776
    6    HB   THR   2           HB       THR   2   5.492  -2.126   2.117
    7    HG1  THR   2          1HG       THR   2   4.981  -2.025   0.073
    8   HG21  THR   2          1HG2      THR   2   2.832  -3.500   2.014
    9   HG22  THR   2          2HG2      THR   2   3.668  -3.287   3.553
   10   HG23  THR   2          3HG2      THR   2   4.437  -4.191   2.250
   11    H    ALA   3           H        ALA   3   6.119  -0.422   3.826
   12    HA   ALA   3           HA       ALA   3   6.405   2.304   2.862
   13    HB1  ALA   3          1HB       ALA   3   8.049   0.636   4.753
   14    HB2  ALA   3          2HB       ALA   3   8.472   2.281   4.278
   15    HB3  ALA   3          3HB       ALA   3   6.971   1.974   5.150
   16    H    SER   4           H        SER   4   6.433   0.760   0.690
   17    HA   SER   4           HA       SER   4   9.115  -0.064   0.002
   18    HB3  SER   4          2HB       SER   4   6.736   0.201  -1.847
   19    HG   SER   4           HG       SER   4   9.126  -1.324  -1.909
   20    H    ILE   5           H        ILE   5   9.528   0.699  -2.532
   21    HA   ILE   5           HA       ILE   5   9.224   3.581  -2.758
   22    HB   ILE   5           HB       ILE   5  11.958   2.302  -2.640
   23   HG13  ILE   5          2HG1      ILE   5  10.978   2.624  -0.422
   24   HG21  ILE   5          1HG2      ILE   5  11.163   5.164  -3.159
   25   HG22  ILE   5          2HG2      ILE   5  12.812   4.573  -2.968
   26   HG23  ILE   5          3HG2      ILE   5  11.840   4.042  -4.339
   27   HD11  ILE   5          1HD1      ILE   5  12.847   4.935  -0.752
   28   HD12  ILE   5          2HD1      ILE   5  12.657   3.839   0.619
   29   HD13  ILE   5          3HD1      ILE   5  13.414   3.268  -0.868
   30    HA   PRO   6           HA       PRO   6   8.066   4.446  -3.961
   31    HB3  PRO   6          2HB       PRO   6   7.207   5.069  -5.998
   32    HG3  PRO   6          2HG       PRO   6   7.152   3.580  -7.784
   33    HD3  PRO   6          2HD       PRO   6   9.353   3.349  -7.141
   34    HA   PRO   7           HA       PRO   7   5.771   1.841  -1.260
   35    HB3  PRO   7          2HB       PRO   7   5.308   3.721  -0.022
   36    HG3  PRO   7          2HG       PRO   7   4.895   5.764  -1.051
   37    HD3  PRO   7          2HD       PRO   7   6.848   5.168  -2.122
   38    H    ILE   8           H        ILE   8   3.902   0.544  -1.070
   39    HA   ILE   8           HA       ILE   8   2.164   0.544  -3.452
   40    HB   ILE   8           HB       ILE   8   3.262  -1.795  -1.901
   41   HG13  ILE   8          2HG1      ILE   8   3.580  -0.721  -4.685
   42   HG21  ILE   8          1HG2      ILE   8   1.082  -2.493  -2.225
   43   HG22  ILE   8          2HG2      ILE   8   0.920  -1.623  -3.750
   44   HG23  ILE   8          3HG2      ILE   8   1.884  -3.098  -3.673
   45   HD11  ILE   8          1HD1      ILE   8   5.483  -1.764  -2.611
   46   HD12  ILE   8          2HD1      ILE   8   5.945  -1.437  -4.283
   47   HD13  ILE   8          3HD1      ILE   8   5.365  -0.125  -3.255
   48    H    CYS   9           H        CYS   9   0.344   1.502  -2.722
   49    HA   CYS   9           HA       CYS   9  -0.928   0.321  -0.340
   50    HB3  CYS   9          2HB       CYS   9  -1.940   2.488   0.138
   51    H    HIS  10           H        HIS  10  -3.005  -0.336  -0.524
   52    HA   HIS  10           HA       HIS  10  -4.366   0.193  -3.084
   53    HB3  HIS  10          2HB       HIS  10  -5.450  -2.101  -2.672
   54    HD1  HIS  10          1HD       HIS  10  -4.916  -3.149  -4.832
   55    HD2  HIS  10          2HD       HIS  10  -1.501  -1.745  -2.927
   56    HE1  HIS  10          1HE       HIS  10  -3.009  -3.712  -6.371
   57    H    DPN  11           H        DPN  11  -4.913   1.993  -1.278
   58    HA   DPN  11           HA       DPN  11  -7.677   1.615  -0.715
   59    HB2  DPN  11          2HB       DPN  11  -5.696   3.806  -0.335
   60    HB3  DPN  11          3HB       DPN  11  -7.172   3.865   0.622
   61    HD1  DPN  11          1HD       DPN  11  -9.339   3.226  -0.917
   62    HD2  DPN  11          2HD       DPN  11  -5.735   5.059  -2.242
   63    HE1  DPN  11          1HE       DPN  11 -10.542   4.200  -2.830
   64    HE2  DPN  11          2HE       DPN  11  -6.930   6.035  -4.157
   65    HZ   DPN  11           HZ       DPN  11  -9.338   5.604  -4.454
   66    H    ARG  12           H        ARG  12  -8.692   1.057   1.125
   67    HA   ARG  12           HA       ARG  12  -7.232   1.020   3.646
   68    HB3  ARG  12          2HB       ARG  12 -10.065   0.109   3.409
   69    HG3  ARG  12          2HG       ARG  12  -8.996   2.080   5.379
   70    HD3  ARG  12          2HD       ARG  12 -10.670   0.995   6.823
   71    HE   ARG  12           HE       ARG  12 -11.355   2.551   4.584
   72   HH11  ARG  12          1HH2      ARG  12 -13.380   3.595   4.492
   73   HH12  ARG  12          2HH2      ARG  12 -14.675   3.031   5.491
   74   HH21  ARG  12          1HH1      ARG  12 -12.810   0.464   6.960
   75   HH22  ARG  12          2HH1      ARG  12 -14.353   1.251   6.897
   76    H    TRP  13           H        TRP  13  -6.166  -0.812   1.957
   77    HA   TRP  13           HA       TRP  13  -7.070  -3.355   3.132
   78    HB3  TRP  13          2HB       TRP  13  -5.838  -3.348   0.410
   79    HD1  TRP  13           HD       TRP  13  -5.401  -5.830   1.952
   80    HE1  TRP  13          1HE       TRP  13  -6.769  -7.989   1.646
   81    HE3  TRP  13          3HE       TRP  13  -9.588  -3.838  -0.200
   82    HZ2  TRP  13          2HZ       TRP  13  -9.291  -8.747   0.628
   83    HZ3  TRP  13          3HZ       TRP  13 -11.433  -5.349  -0.810
   84    HH2  TRP  13           HH       TRP  13 -11.285  -7.753  -0.404
   85    H    ARG  14           H        ARG  14  -4.363  -1.905   1.311
   86    HA   ARG  14           HA       ARG  14  -2.519  -2.983   3.315
   87    HB3  ARG  14          2HB       ARG  14  -1.056  -3.944   1.700
   88    HG3  ARG  14          2HG       ARG  14  -3.821  -4.711   0.792
   89    HD3  ARG  14          2HD       ARG  14  -2.164  -5.657  -0.644
   90    HE   ARG  14           HE       ARG  14  -0.524  -5.869   1.685
   91   HH11  ARG  14          1HH2      ARG  14   1.595  -6.677   1.438
   92   HH12  ARG  14          2HH2      ARG  14   2.016  -7.538  -0.003
   93   HH21  ARG  14          1HH1      ARG  14  -1.153  -7.243  -1.450
   94   HH22  ARG  14          2HH1      ARG  14   0.454  -7.860  -1.648
  Start of MODEL   15
    1    H1   CYS   1           H        CYS   1  -0.969  -1.530   3.784
    2    HA   CYS   1           HA       CYS   1  -0.046   0.077   1.505
    3    HB3  CYS   1          2HB       CYS   1  -0.174   1.302   4.238
    4    H    THR   2           H        THR   2   2.061  -0.153   1.203
    5    HA   THR   2           HA       THR   2   3.732  -0.947   3.499
    6    HB   THR   2           HB       THR   2   5.158  -2.179   2.037
    7    HG1  THR   2          1HG       THR   2   5.269  -1.762  -0.041
    8   HG21  THR   2          1HG2      THR   2   2.460  -2.818   2.387
    9   HG22  THR   2          2HG2      THR   2   3.768  -3.923   1.964
   10   HG23  THR   2          3HG2      THR   2   2.803  -3.171   0.693
   11    H    ALA   3           H        ALA   3   6.023  -0.274   3.347
   12    HA   ALA   3           HA       ALA   3   6.196   2.456   2.275
   13    HB1  ALA   3          1HB       ALA   3   8.118   2.684   3.867
   14    HB2  ALA   3          2HB       ALA   3   6.551   2.405   4.629
   15    HB3  ALA   3          3HB       ALA   3   7.710   1.083   4.488
   16    H    SER   4           H        SER   4   6.491   0.614   0.334
   17    HA   SER   4           HA       SER   4   9.214  -0.201  -0.023
   18    HB3  SER   4          2HB       SER   4   7.734  -1.607  -1.139
   19    HG   SER   4           HG       SER   4   6.406   0.356  -2.587
   20    H    ILE   5           H        ILE   5  10.009   0.381  -2.475
   21    HA   ILE   5           HA       ILE   5   9.880   3.298  -2.782
   22    HB   ILE   5           HB       ILE   5  11.913   3.023  -1.593
   23   HG13  ILE   5          2HG1      ILE   5  11.893   4.352  -3.815
   24   HG21  ILE   5          1HG2      ILE   5  12.761   0.897  -3.550
   25   HG22  ILE   5          2HG2      ILE   5  13.593   1.401  -2.079
   26   HG23  ILE   5          3HG2      ILE   5  12.050   0.555  -1.975
   27   HD11  ILE   5          1HD1      ILE   5  13.639   5.244  -2.776
   28   HD12  ILE   5          2HD1      ILE   5  14.112   3.694  -2.075
   29   HD13  ILE   5          3HD1      ILE   5  14.635   4.122  -3.705
   30    HA   PRO   6           HA       PRO   6   8.763   4.295  -3.922
   31    HB3  PRO   6          2HB       PRO   6   7.894   5.041  -5.915
   32    HG3  PRO   6          2HG       PRO   6   7.601   3.594  -7.711
   33    HD3  PRO   6          2HD       PRO   6   9.787   3.110  -7.165
   34    HA   PRO   7           HA       PRO   7   6.219   1.995  -1.172
   35    HB3  PRO   7          2HB       PRO   7   5.838   3.949  -0.027
   36    HG3  PRO   7          2HG       PRO   7   5.544   5.963  -1.153
   37    HD3  PRO   7          2HD       PRO   7   7.478   5.220  -2.165
   38    H    ILE   8           H        ILE   8   3.738   1.536  -0.733
   39    HA   ILE   8           HA       ILE   8   2.218   1.290  -3.206
   40    HB   ILE   8           HB       ILE   8   3.046  -1.097  -1.555
   41   HG13  ILE   8          2HG1      ILE   8   4.030  -1.912  -3.614
   42   HG21  ILE   8          1HG2      ILE   8   0.740  -1.390  -2.044
   43   HG22  ILE   8          2HG2      ILE   8   0.956  -0.840  -3.704
   44   HG23  ILE   8          3HG2      ILE   8   1.640  -2.382  -3.189
   45   HD11  ILE   8          1HD1      ILE   8   4.177  -0.524  -5.619
   46   HD12  ILE   8          2HD1      ILE   8   2.514  -0.992  -5.262
   47   HD13  ILE   8          3HD1      ILE   8   3.073   0.639  -4.889
   48    H    CYS   9           H        CYS   9   0.031   1.241  -2.906
   49    HA   CYS   9           HA       CYS   9  -1.057   0.808  -0.242
   50    HB3  CYS   9          2HB       CYS   9  -2.400   2.991  -0.519
   51    H    HIS  10           H        HIS  10  -3.070  -0.040  -0.280
   52    HA   HIS  10           HA       HIS  10  -4.506  -0.046  -2.850
   53    HB3  HIS  10          2HB       HIS  10  -5.193  -2.379  -2.403
   54    HD1  HIS  10          1HD       HIS  10  -3.432  -1.325  -4.544
   55    HD2  HIS  10          2HD       HIS  10  -2.003  -3.853  -1.573
   56    HE1  HIS  10          1HE       HIS  10  -1.357  -2.376  -5.497
   57    H    DPN  11           H        DPN  11  -5.320   1.858  -1.350
   58    HA   DPN  11           HA       DPN  11  -7.976   1.284  -0.681
   59    HB2  DPN  11          2HB       DPN  11  -6.871   3.549  -1.254
   60    HB3  DPN  11          3HB       DPN  11  -6.483   3.632   0.462
   61    HD1  DPN  11          1HD       DPN  11  -7.897   4.963   1.666
   62    HD2  DPN  11          2HD       DPN  11  -9.471   2.698  -1.575
   63    HE1  DPN  11          1HE       DPN  11 -10.138   5.866   2.128
   64    HE2  DPN  11          2HE       DPN  11 -11.716   3.598  -1.119
   65    HZ   DPN  11           HZ       DPN  11 -12.051   5.184   0.734
   66    H    ARG  12           H        ARG  12  -8.984   0.706   1.159
   67    HA   ARG  12           HA       ARG  12  -7.551   0.796   3.697
   68    HB3  ARG  12          2HB       ARG  12 -10.326  -0.276   3.462
   69    HG3  ARG  12          2HG       ARG  12  -9.204   1.739   5.388
   70    HD3  ARG  12          2HD       ARG  12 -11.058   0.818   6.808
   71    HE   ARG  12           HE       ARG  12 -12.478   1.929   4.576
   72   HH11  ARG  12          1HH2      ARG  12 -13.003   4.147   4.657
   73   HH12  ARG  12          2HH2      ARG  12 -12.209   5.168   5.806
   74   HH21  ARG  12          1HH1      ARG  12 -10.249   2.609   7.161
   75   HH22  ARG  12          2HH1      ARG  12 -10.642   4.295   7.231
   76    H    TRP  13           H        TRP  13  -6.417  -1.017   1.986
   77    HA   TRP  13           HA       TRP  13  -7.207  -3.587   3.190
   78    HB3  TRP  13          2HB       TRP  13  -5.842  -3.573   0.543
   79    HD1  TRP  13           HD       TRP  13  -9.302  -5.014   1.382
   80    HE1  TRP  13          1HE       TRP  13  -9.151  -7.583   1.319
   81    HE3  TRP  13          3HE       TRP  13  -4.252  -5.514   0.760
   82    HZ2  TRP  13          2HZ       TRP  13  -7.155  -9.559   1.042
   83    HZ3  TRP  13          3HZ       TRP  13  -3.301  -7.778   0.606
   84    HH2  TRP  13           HH       TRP  13  -4.724  -9.757   0.744
   85    H    ARG  14           H        ARG  14  -4.483  -2.156   1.375
   86    HA   ARG  14           HA       ARG  14  -2.680  -2.954   3.535
   87    HB3  ARG  14          2HB       ARG  14  -1.092  -3.654   1.525
   88    HG3  ARG  14          2HG       ARG  14  -2.228  -6.018   1.646
   89    HD3  ARG  14          2HD       ARG  14  -0.836  -4.543   3.860
   90    HE   ARG  14           HE       ARG  14  -1.511  -6.295   5.175
   91   HH11  ARG  14          1HH2      ARG  14  -1.633  -8.486   5.798
   92   HH12  ARG  14          2HH2      ARG  14  -1.292  -9.722   4.635
   93   HH21  ARG  14          1HH1      ARG  14  -0.629  -7.489   2.027
   94   HH22  ARG  14          2HH1      ARG  14  -0.719  -9.156   2.490
  Start of MODEL   16
    1    H1   CYS   1           H        CYS   1  -1.339  -1.187   3.649
    2    HA   CYS   1           HA       CYS   1   0.140   0.063   1.427
    3    HB3  CYS   1          2HB       CYS   1  -0.578   1.574   3.915
    4    H    THR   2           H        THR   2   2.271  -0.086   1.576
    5    HA   THR   2           HA       THR   2   3.503  -0.251   4.243
    6    HB   THR   2           HB       THR   2   4.999  -1.969   3.588
    7    HG1  THR   2          1HG       THR   2   5.519  -2.286   1.559
    8   HG21  THR   2          1HG2      THR   2   3.568  -3.760   3.486
    9   HG22  THR   2          2HG2      THR   2   2.554  -3.017   2.248
   10   HG23  THR   2          3HG2      THR   2   2.428  -2.490   3.927
   11    H    ALA   3           H        ALA   3   5.878   0.214   4.173
   12    HA   ALA   3           HA       ALA   3   6.318   2.613   2.632
   13    HB1  ALA   3          1HB       ALA   3   7.053   2.727   4.869
   14    HB2  ALA   3          2HB       ALA   3   7.922   1.197   4.743
   15    HB3  ALA   3          3HB       ALA   3   8.517   2.621   3.891
   16    H    SER   4           H        SER   4   6.135   1.086   0.638
   17    HA   SER   4           HA       SER   4   8.615  -0.286  -0.000
   18    HB3  SER   4          2HB       SER   4   6.120   0.110  -1.672
   19    HG   SER   4           HG       SER   4   7.005  -1.610  -2.883
   20    H    ILE   5           H        ILE   5   9.316   0.099  -2.426
   21    HA   ILE   5           HA       ILE   5   9.415   2.990  -2.953
   22    HB   ILE   5           HB       ILE   5  11.805   1.146  -3.087
   23   HG13  ILE   5          2HG1      ILE   5  11.070   1.723  -0.770
   24   HG21  ILE   5          1HG2      ILE   5  11.629   4.128  -3.496
   25   HG22  ILE   5          2HG2      ILE   5  13.081   3.133  -3.610
   26   HG23  ILE   5          3HG2      ILE   5  11.781   2.933  -4.785
   27   HD11  ILE   5          1HD1      ILE   5  13.372   3.308  -0.560
   28   HD12  ILE   5          2HD1      ILE   5  13.214   1.577  -0.262
   29   HD13  ILE   5          3HD1      ILE   5  13.673   2.158  -1.862
   30    HA   PRO   6           HA       PRO   6   8.307   4.016  -4.075
   31    HB3  PRO   6          2HB       PRO   6   7.353   4.713  -6.045
   32    HG3  PRO   6          2HG       PRO   6   6.778   3.190  -7.706
   33    HD3  PRO   6          2HD       PRO   6   8.947   2.527  -7.292
   34    HA   PRO   7           HA       PRO   7   5.819   2.136  -0.975
   35    HB3  PRO   7          2HB       PRO   7   5.782   4.169   0.094
   36    HG3  PRO   7          2HG       PRO   7   5.616   6.153  -1.109
   37    HD3  PRO   7          2HD       PRO   7   7.342   5.140  -2.252
   38    H    ILE   8           H        ILE   8   4.308   0.618  -1.171
   39    HA   ILE   8           HA       ILE   8   2.336   0.742  -3.264
   40    HB   ILE   8           HB       ILE   8   3.372  -1.391  -2.769
   41   HG13  ILE   8          2HG1      ILE   8   0.446  -1.308  -1.998
   42   HG21  ILE   8          1HG2      ILE   8   2.050  -1.998  -0.278
   43   HG22  ILE   8          2HG2      ILE   8   3.753  -2.137  -0.710
   44   HG23  ILE   8          3HG2      ILE   8   3.118  -0.605  -0.111
   45   HD11  ILE   8          1HD1      ILE   8  -0.005  -0.920  -4.122
   46   HD12  ILE   8          2HD1      ILE   8   1.720  -0.831  -4.484
   47   HD13  ILE   8          3HD1      ILE   8   0.878  -2.377  -4.577
   48    H    CYS   9           H        CYS   9   0.171   1.064  -3.085
   49    HA   CYS   9           HA       CYS   9  -1.078   1.244  -0.469
   50    HB3  CYS   9          2HB       CYS   9  -1.977   3.566  -1.785
   51    H    HIS  10           H        HIS  10  -2.812   0.005  -0.701
   52    HA   HIS  10           HA       HIS  10  -4.319   0.151  -3.228
   53    HB3  HIS  10          2HB       HIS  10  -5.220  -2.141  -2.372
   54    HD1  HIS  10          1HD       HIS  10  -4.170  -1.209  -5.013
   55    HD2  HIS  10          2HD       HIS  10  -2.021  -3.761  -2.536
   56    HE1  HIS  10          1HE       HIS  10  -2.555  -2.407  -6.522
   57    H    DPN  11           H        DPN  11  -4.561   1.871  -0.830
   58    HA   DPN  11           HA       DPN  11  -7.438   1.577  -0.493
   59    HB2  DPN  11          2HB       DPN  11  -6.095   3.774  -1.033
   60    HB3  DPN  11          3HB       DPN  11  -5.869   3.821   0.713
   61    HD1  DPN  11          1HD       DPN  11  -7.284   5.301   1.730
   62    HD2  DPN  11          2HD       DPN  11  -8.726   3.005  -1.550
   63    HE1  DPN  11          1HE       DPN  11  -9.504   6.330   1.990
   64    HE2  DPN  11          2HE       DPN  11 -10.947   4.030  -1.296
   65    HZ   DPN  11           HZ       DPN  11 -11.339   5.694   0.476
   66    H    ARG  12           H        ARG  12  -8.240   0.528   1.190
   67    HA   ARG  12           HA       ARG  12  -6.842   0.705   3.770
   68    HB3  ARG  12          2HB       ARG  12  -8.965   0.207   4.818
   69    HG3  ARG  12          2HG       ARG  12 -10.358   2.010   3.218
   70    HD3  ARG  12          2HD       ARG  12  -8.663   2.188   5.670
   71    HE   ARG  12           HE       ARG  12 -10.071   4.605   5.159
   72   HH11  ARG  12          1HH2      ARG  12  -8.875   6.520   4.827
   73   HH12  ARG  12          2HH2      ARG  12  -7.194   6.416   4.428
   74   HH21  ARG  12          1HH1      ARG  12  -7.101   2.920   4.483
   75   HH22  ARG  12          2HH1      ARG  12  -6.183   4.369   4.231
   76    H    TRP  13           H        TRP  13  -6.231  -1.160   1.534
   77    HA   TRP  13           HA       TRP  13  -6.896  -3.730   2.789
   78    HB3  TRP  13          2HB       TRP  13  -5.732  -4.496   0.509
   79    HD1  TRP  13           HD       TRP  13  -8.818  -2.479  -0.383
   80    HE1  TRP  13          1HE       TRP  13 -10.846  -4.057  -0.518
   81    HE3  TRP  13          3HE       TRP  13  -6.683  -6.710   1.534
   82    HZ2  TRP  13          2HZ       TRP  13 -11.460  -6.742   0.106
   83    HZ3  TRP  13          3HZ       TRP  13  -8.059  -8.740   1.732
   84    HH2  TRP  13           HH       TRP  13 -10.398  -8.752   1.034
   85    H    ARG  14           H        ARG  14  -4.110  -2.224   1.140
   86    HA   ARG  14           HA       ARG  14  -2.350  -3.071   3.277
   87    HB3  ARG  14          2HB       ARG  14  -0.792  -4.191   1.616
   88    HG3  ARG  14          2HG       ARG  14  -3.303  -5.779   1.654
   89    HD3  ARG  14          2HD       ARG  14  -1.025  -6.622   0.914
   90    HE   ARG  14           HE       ARG  14   0.630  -6.235   2.434
   91   HH11  ARG  14          1HH2      ARG  14   1.675  -6.327   4.459
   92   HH12  ARG  14          2HH2      ARG  14   0.772  -6.786   5.864
   93   HH21  ARG  14          1HH1      ARG  14  -2.239  -7.226   4.139
   94   HH22  ARG  14          2HH1      ARG  14  -1.453  -7.299   5.682
  Start of MODEL   17
    1    H1   CYS   1           H        CYS   1  -0.962  -1.548   4.140
    2    HA   CYS   1           HA       CYS   1   0.066  -0.512   1.588
    3    HB3  CYS   1          2HB       CYS   1   0.332   1.129   4.080
    4    H    THR   2           H        THR   2   2.358  -0.021   1.604
    5    HA   THR   2           HA       THR   2   3.864  -1.357   3.746
    6    HB   THR   2           HB       THR   2   5.373  -2.375   2.112
    7    HG1  THR   2          1HG       THR   2   5.232  -1.926   0.032
    8   HG21  THR   2          1HG2      THR   2   2.937  -3.427   0.953
    9   HG22  THR   2          2HG2      THR   2   2.776  -3.194   2.692
   10   HG23  THR   2          3HG2      THR   2   4.079  -4.195   2.054
   11    H    ALA   3           H        ALA   3   6.367  -0.962   3.162
   12    HA   ALA   3           HA       ALA   3   6.613   1.946   2.764
   13    HB1  ALA   3          1HB       ALA   3   8.323   0.071   4.392
   14    HB2  ALA   3          2HB       ALA   3   8.664   1.783   4.139
   15    HB3  ALA   3          3HB       ALA   3   7.209   1.294   5.004
   16    H    SER   4           H        SER   4   6.536   0.615   0.453
   17    HA   SER   4           HA       SER   4   9.155  -0.235  -0.396
   18    HB3  SER   4          2HB       SER   4   6.732   0.351  -2.113
   19    HG   SER   4           HG       SER   4   8.805  -1.513  -2.575
   20    H    ILE   5           H        ILE   5   9.711   0.768  -2.748
   21    HA   ILE   5           HA       ILE   5   9.519   3.681  -2.661
   22    HB   ILE   5           HB       ILE   5  12.166   2.229  -2.763
   23   HG13  ILE   5          2HG1      ILE   5  10.699   3.728  -0.641
   24   HG21  ILE   5          1HG2      ILE   5  13.022   4.646  -2.652
   25   HG22  ILE   5          2HG2      ILE   5  12.420   4.050  -4.197
   26   HG23  ILE   5          3HG2      ILE   5  11.408   5.095  -3.201
   27   HD11  ILE   5          1HD1      ILE   5  11.963   1.158  -0.914
   28   HD12  ILE   5          2HD1      ILE   5  12.589   2.037   0.481
   29   HD13  ILE   5          3HD1      ILE   5  10.856   1.746   0.326
   30    HA   PRO   6           HA       PRO   6   8.393   4.753  -3.719
   31    HB3  PRO   6          2HB       PRO   6   7.533   5.669  -5.644
   32    HG3  PRO   6          2HG       PRO   6   7.351   4.413  -7.593
   33    HD3  PRO   6          2HD       PRO   6   9.545   3.975  -7.041
   34    HA   PRO   7           HA       PRO   7   5.978   1.995  -1.288
   35    HB3  PRO   7          2HB       PRO   7   5.631   3.745   0.158
   36    HG3  PRO   7          2HG       PRO   7   5.317   5.910  -0.631
   37    HD3  PRO   7          2HD       PRO   7   7.224   5.336  -1.794
   38    H    ILE   8           H        ILE   8   3.885   0.949  -1.082
   39    HA   ILE   8           HA       ILE   8   2.167   1.261  -3.453
   40    HB   ILE   8           HB       ILE   8   3.192  -1.300  -2.243
   41   HG13  ILE   8          2HG1      ILE   8   3.465   0.121  -4.859
   42   HG21  ILE   8          1HG2      ILE   8   0.759  -0.800  -3.899
   43   HG22  ILE   8          2HG2      ILE   8   1.652  -2.309  -4.081
   44   HG23  ILE   8          3HG2      ILE   8   0.973  -1.871  -2.514
   45   HD11  ILE   8          1HD1      ILE   8   5.307  -1.346  -3.016
   46   HD12  ILE   8          2HD1      ILE   8   5.746  -1.024  -4.693
   47   HD13  ILE   8          3HD1      ILE   8   5.406   0.316  -3.599
   48    H    CYS   9           H        CYS   9  -0.006   1.127  -3.127
   49    HA   CYS   9           HA       CYS   9  -1.018   0.264  -0.529
   50    HB3  CYS   9          2HB       CYS   9  -2.390   2.332  -0.311
   51    H    HIS  10           H        HIS  10  -3.056  -0.577  -0.601
   52    HA   HIS  10           HA       HIS  10  -4.323  -0.667  -3.258
   53    HB3  HIS  10          2HB       HIS  10  -5.370  -2.791  -2.464
   54    HD1  HIS  10          1HD       HIS  10  -3.692  -2.697  -4.725
   55    HD2  HIS  10          2HD       HIS  10  -2.136  -4.075  -1.126
   56    HE1  HIS  10          1HE       HIS  10  -1.651  -4.032  -5.341
   57    H    DPN  11           H        DPN  11  -4.673   1.389  -1.159
   58    HA   DPN  11           HA       DPN  11  -7.590   1.229  -1.002
   59    HB2  DPN  11          2HB       DPN  11  -6.589   3.229  -2.050
   60    HB3  DPN  11          3HB       DPN  11  -5.752   3.590  -0.544
   61    HD1  DPN  11          1HD       DPN  11  -6.706   5.126   0.864
   62    HD2  DPN  11          2HD       DPN  11  -9.211   2.915  -1.772
   63    HE1  DPN  11          1HE       DPN  11  -8.654   6.418   1.636
   64    HE2  DPN  11          2HE       DPN  11 -11.162   4.201  -1.004
   65    HZ   DPN  11           HZ       DPN  11 -10.884   5.956   0.703
   66    H    ARG  12           H        ARG  12  -8.635   0.923   0.856
   67    HA   ARG  12           HA       ARG  12  -7.298   1.538   3.385
   68    HB3  ARG  12          2HB       ARG  12 -10.098   0.566   3.359
   69    HG3  ARG  12          2HG       ARG  12  -8.840   2.979   4.647
   70    HD3  ARG  12          2HD       ARG  12 -11.537   1.696   4.774
   71    HE   ARG  12           HE       ARG  12 -10.296   2.169   7.116
   72   HH11  ARG  12          1HH2      ARG  12 -11.290   2.910   9.030
   73   HH12  ARG  12          2HH2      ARG  12 -12.729   3.867   8.928
   74   HH21  ARG  12          1HH1      ARG  12 -12.861   3.815   5.433
   75   HH22  ARG  12          2HH1      ARG  12 -13.623   4.383   6.882
   76    H    TRP  13           H        TRP  13  -6.627  -0.811   1.731
   77    HA   TRP  13           HA       TRP  13  -7.530  -2.998   3.470
   78    HB3  TRP  13          2HB       TRP  13  -6.250  -4.337   1.575
   79    HD1  TRP  13           HD       TRP  13  -8.295  -5.933   1.956
   80    HE1  TRP  13          1HE       TRP  13 -10.723  -5.945   1.100
   81    HE3  TRP  13          3HE       TRP  13  -8.495  -1.206   0.022
   82    HZ2  TRP  13          2HZ       TRP  13 -12.488  -4.183  -0.221
   83    HZ3  TRP  13          3HZ       TRP  13 -10.591  -0.445  -1.021
   84    HH2  TRP  13           HH       TRP  13 -12.544  -1.905  -1.139
   85    H    ARG  14           H        ARG  14  -4.517  -2.243   1.711
   86    HA   ARG  14           HA       ARG  14  -3.011  -2.606   4.190
   87    HB3  ARG  14          2HB       ARG  14  -1.342  -3.980   2.724
   88    HG3  ARG  14          2HG       ARG  14  -2.654  -6.114   3.149
   89    HD3  ARG  14          2HD       ARG  14  -2.358  -4.253   5.500
   90    HE   ARG  14           HE       ARG  14  -3.005  -6.951   5.452
   91   HH11  ARG  14          1HH2      ARG  14  -2.696  -8.295   7.269
   92   HH12  ARG  14          2HH2      ARG  14  -1.537  -7.844   8.474
   93   HH21  ARG  14          1HH1      ARG  14  -0.572  -4.897   6.861
   94   HH22  ARG  14          2HH1      ARG  14  -0.330  -5.911   8.243
  Start of MODEL   18
    1    H1   CYS   1           H        CYS   1  -0.948  -1.208   4.110
    2    HA   CYS   1           HA       CYS   1   0.069   0.169   1.710
    3    HB3  CYS   1          2HB       CYS   1   0.641   2.072   3.239
    4    H    THR   2           H        THR   2   2.092  -0.343   1.242
    5    HA   THR   2           HA       THR   2   3.799  -1.467   3.348
    6    HB   THR   2           HB       THR   2   5.268  -2.029   1.256
    7    HG1  THR   2          1HG       THR   2   4.330  -1.295  -0.503
    8   HG21  THR   2          1HG2      THR   2   2.666  -3.520   1.544
    9   HG22  THR   2          2HG2      THR   2   3.946  -3.601   2.756
   10   HG23  THR   2          3HG2      THR   2   4.251  -4.160   1.111
   11    H    ALA   3           H        ALA   3   6.100  -0.898   3.324
   12    HA   ALA   3           HA       ALA   3   6.429   1.972   2.888
   13    HB1  ALA   3          1HB       ALA   3   8.079  -0.021   4.430
   14    HB2  ALA   3          2HB       ALA   3   8.486   1.687   4.258
   15    HB3  ALA   3          3HB       ALA   3   7.003   1.213   5.086
   16    H    SER   4           H        SER   4   6.402   0.353   0.570
   17    HA   SER   4           HA       SER   4   9.060  -0.232  -0.290
   18    HB3  SER   4          2HB       SER   4   6.619   0.209  -2.022
   19    HG   SER   4           HG       SER   4   8.870  -1.467  -2.422
   20    H    ILE   5           H        ILE   5   9.555   0.798  -2.650
   21    HA   ILE   5           HA       ILE   5   9.190   3.692  -2.575
   22    HB   ILE   5           HB       ILE   5  11.920   2.399  -2.633
   23   HG13  ILE   5          2HG1      ILE   5  12.313   3.538  -0.536
   24   HG21  ILE   5          1HG2      ILE   5  10.955   5.000  -3.534
   25   HG22  ILE   5          2HG2      ILE   5  12.290   5.105  -2.387
   26   HG23  ILE   5          3HG2      ILE   5  12.476   4.174  -3.873
   27   HD11  ILE   5          1HD1      ILE   5   9.550   4.664  -0.881
   28   HD12  ILE   5          2HD1      ILE   5  10.410   4.633   0.659
   29   HD13  ILE   5          3HD1      ILE   5  11.067   5.544  -0.699
   30    HA   PRO   6           HA       PRO   6   8.015   4.689  -3.650
   31    HB3  PRO   6          2HB       PRO   6   7.120   5.544  -5.586
   32    HG3  PRO   6          2HG       PRO   6   7.029   4.269  -7.530
   33    HD3  PRO   6          2HD       PRO   6   9.241   3.963  -6.957
   34    HA   PRO   7           HA       PRO   7   5.746   1.807  -1.224
   35    HB3  PRO   7          2HB       PRO   7   5.283   3.541   0.210
   36    HG3  PRO   7          2HG       PRO   7   4.848   5.679  -0.595
   37    HD3  PRO   7          2HD       PRO   7   6.795   5.214  -1.738
   38    H    ILE   8           H        ILE   8   3.869   0.498  -1.144
   39    HA   ILE   8           HA       ILE   8   2.109   0.738  -3.497
   40    HB   ILE   8           HB       ILE   8   3.292  -1.734  -2.252
   41   HG13  ILE   8          2HG1      ILE   8   3.445  -0.365  -4.915
   42   HG21  ILE   8          1HG2      ILE   8   0.895  -1.459  -4.035
   43   HG22  ILE   8          2HG2      ILE   8   1.855  -2.938  -3.986
   44   HG23  ILE   8          3HG2      ILE   8   1.051  -2.360  -2.527
   45   HD11  ILE   8          1HD1      ILE   8   5.301   0.083  -3.508
   46   HD12  ILE   8          2HD1      ILE   8   5.473  -1.622  -3.092
   47   HD13  ILE   8          3HD1      ILE   8   5.830  -1.073  -4.730
   48    H    CYS   9           H        CYS   9   0.308   1.610  -2.615
   49    HA   CYS   9           HA       CYS   9  -0.833   0.292  -0.243
   50    HB3  CYS   9          2HB       CYS   9  -1.717   2.964  -1.306
   51    H    HIS  10           H        HIS  10  -2.904  -0.489  -0.273
   52    HA   HIS  10           HA       HIS  10  -4.165  -0.641  -2.927
   53    HB3  HIS  10          2HB       HIS  10  -5.428  -2.598  -1.758
   54    HD1  HIS  10          1HD       HIS  10  -4.927  -3.780  -3.924
   55    HD2  HIS  10          2HD       HIS  10  -1.524  -3.100  -1.640
   56    HE1  HIS  10          1HE       HIS  10  -3.087  -5.063  -5.060
   57    H    DPN  11           H        DPN  11  -4.480   1.629  -1.181
   58    HA   DPN  11           HA       DPN  11  -7.369   1.688  -1.100
   59    HB2  DPN  11          2HB       DPN  11  -5.183   3.703  -0.909
   60    HB3  DPN  11          3HB       DPN  11  -6.739   4.112  -0.196
   61    HD1  DPN  11          1HD       DPN  11  -8.784   4.084  -1.646
   62    HD2  DPN  11          2HD       DPN  11  -4.843   3.794  -3.227
   63    HE1  DPN  11          1HE       DPN  11  -9.630   4.732  -3.862
   64    HE2  DPN  11          2HE       DPN  11  -5.683   4.441  -5.447
   65    HZ   DPN  11           HZ       DPN  11  -8.079   4.912  -5.768
   66    H    ARG  12           H        ARG  12  -8.124   0.527   0.606
   67    HA   ARG  12           HA       ARG  12  -7.212   1.359   3.284
   68    HB3  ARG  12          2HB       ARG  12  -9.474   1.046   4.096
   69    HG3  ARG  12          2HG       ARG  12 -10.599   2.537   2.048
   70    HD3  ARG  12          2HD       ARG  12  -8.932   3.912   4.080
   71    HE   ARG  12           HE       ARG  12 -11.389   4.448   2.760
   72   HH11  ARG  12          1HH2      ARG  12 -12.514   6.365   3.268
   73   HH12  ARG  12          2HH2      ARG  12 -12.145   7.207   4.734
   74   HH21  ARG  12          1HH1      ARG  12  -9.686   4.941   5.755
   75   HH22  ARG  12          2HH1      ARG  12 -10.535   6.399   6.150
   76    H    TRP  13           H        TRP  13  -6.332  -0.891   1.550
   77    HA   TRP  13           HA       TRP  13  -7.190  -3.166   3.207
   78    HB3  TRP  13          2HB       TRP  13  -5.988  -4.473   1.297
   79    HD1  TRP  13           HD       TRP  13  -8.779  -2.013   0.195
   80    HE1  TRP  13          1HE       TRP  13 -10.918  -3.383  -0.226
   81    HE3  TRP  13          3HE       TRP  13  -7.085  -6.622   1.619
   82    HZ2  TRP  13          2HZ       TRP  13 -11.773  -6.061   0.015
   83    HZ3  TRP  13          3HZ       TRP  13  -8.627  -8.535   1.494
   84    HH2  TRP  13           HH       TRP  13 -10.922  -8.259   0.709
   85    H    ARG  14           H        ARG  14  -4.242  -2.076   1.509
   86    HA   ARG  14           HA       ARG  14  -2.693  -2.579   3.927
   87    HB3  ARG  14          2HB       ARG  14  -2.683  -4.691   2.588
   88    HG3  ARG  14          2HG       ARG  14  -0.944  -3.235   0.626
   89    HD3  ARG  14          2HD       ARG  14  -1.107  -5.214  -0.666
   90    HE   ARG  14           HE       ARG  14   0.016  -5.406   1.820
   91   HH11  ARG  14          1HH2      ARG  14   1.204  -7.217   2.539
   92   HH12  ARG  14          2HH2      ARG  14   0.906  -8.767   1.827
   93   HH21  ARG  14          1HH1      ARG  14  -1.564  -7.613  -0.361
   94   HH22  ARG  14          2HH1      ARG  14  -0.667  -8.992   0.177
  Start of MODEL   19
    1    H1   CYS   1           H        CYS   1  -1.153  -1.406   3.669
    2    HA   CYS   1           HA       CYS   1   0.175  -0.057   1.414
    3    HB3  CYS   1          2HB       CYS   1  -0.617   1.294   3.999
    4    H    THR   2           H        THR   2   2.339   0.133   1.552
    5    HA   THR   2           HA       THR   2   3.647  -0.383   4.127
    6    HB   THR   2           HB       THR   2   5.205  -1.946   3.201
    7    HG1  THR   2          1HG       THR   2   3.904  -1.458   0.709
    8   HG21  THR   2          1HG2      THR   2   3.837  -3.762   3.141
    9   HG22  THR   2          2HG2      THR   2   2.749  -3.040   1.954
   10   HG23  THR   2          3HG2      THR   2   2.639  -2.573   3.652
   11    H    ALA   3           H        ALA   3   6.061   0.072   3.959
   12    HA   ALA   3           HA       ALA   3   6.384   2.643   2.635
   13    HB1  ALA   3          1HB       ALA   3   7.030   2.048   5.083
   14    HB2  ALA   3          2HB       ALA   3   8.490   1.387   4.342
   15    HB3  ALA   3          3HB       ALA   3   8.085   3.091   4.128
   16    H    SER   4           H        SER   4   6.264   0.708   0.745
   17    HA   SER   4           HA       SER   4   8.751  -0.445   0.046
   18    HB3  SER   4          2HB       SER   4   6.516   0.255  -1.863
   19    HG   SER   4           HG       SER   4   7.597  -0.975  -3.169
   20    H    ILE   5           H        ILE   5   9.349   0.157  -2.495
   21    HA   ILE   5           HA       ILE   5   9.641   3.033  -2.791
   22    HB   ILE   5           HB       ILE   5  12.057   1.232  -2.578
   23   HG13  ILE   5          2HG1      ILE   5  11.124   1.810  -0.393
   24   HG21  ILE   5          1HG2      ILE   5  13.360   3.273  -2.943
   25   HG22  ILE   5          2HG2      ILE   5  12.327   2.907  -4.323
   26   HG23  ILE   5          3HG2      ILE   5  11.868   4.179  -3.192
   27   HD11  ILE   5          1HD1      ILE   5  13.651   1.947  -0.807
   28   HD12  ILE   5          2HD1      ILE   5  13.420   3.694  -0.726
   29   HD13  ILE   5          3HD1      ILE   5  12.997   2.683   0.656
   30    HA   PRO   6           HA       PRO   6   8.709   4.085  -4.039
   31    HB3  PRO   6          2HB       PRO   6   8.032   4.816  -6.109
   32    HG3  PRO   6          2HG       PRO   6   7.708   3.323  -7.863
   33    HD3  PRO   6          2HD       PRO   6   9.803   2.665  -7.164
   34    HA   PRO   7           HA       PRO   7   5.888   2.066  -1.334
   35    HB3  PRO   7          2HB       PRO   7   5.815   4.026  -0.134
   36    HG3  PRO   7          2HG       PRO   7   5.856   6.090  -1.204
   37    HD3  PRO   7          2HD       PRO   7   7.653   5.076  -2.231
   38    H    ILE   8           H        ILE   8   3.841   1.119  -1.205
   39    HA   ILE   8           HA       ILE   8   2.035   1.612  -3.477
   40    HB   ILE   8           HB       ILE   8   2.954  -1.053  -2.415
   41   HG13  ILE   8          2HG1      ILE   8   3.234   0.466  -4.970
   42   HG21  ILE   8          1HG2      ILE   8   0.485  -0.327  -3.919
   43   HG22  ILE   8          2HG2      ILE   8   1.280  -1.864  -4.252
   44   HG23  ILE   8          3HG2      ILE   8   0.710  -1.503  -2.624
   45   HD11  ILE   8          1HD1      ILE   8   5.038  -0.159  -3.093
   46   HD12  ILE   8          2HD1      ILE   8   5.192  -1.566  -4.144
   47   HD13  ILE   8          3HD1      ILE   8   5.433   0.054  -4.797
   48    H    CYS   9           H        CYS   9  -0.125   1.578  -3.042
   49    HA   CYS   9           HA       CYS   9  -1.051   0.671  -0.431
   50    HB3  CYS   9          2HB       CYS   9  -2.298   2.817  -0.084
   51    H    HIS  10           H        HIS  10  -3.010  -0.252  -0.530
   52    HA   HIS  10           HA       HIS  10  -4.529   0.057  -3.035
   53    HB3  HIS  10          2HB       HIS  10  -5.506  -2.211  -2.381
   54    HD1  HIS  10          1HD       HIS  10  -4.569  -1.893  -4.936
   55    HD2  HIS  10          2HD       HIS  10  -1.907  -3.348  -2.099
   56    HE1  HIS  10          1HE       HIS  10  -2.709  -2.965  -6.246
   57    H    DPN  11           H        DPN  11  -4.752   1.812  -0.752
   58    HA   DPN  11           HA       DPN  11  -7.608   1.677  -0.410
   59    HB2  DPN  11          2HB       DPN  11  -6.091   3.784  -0.706
   60    HB3  DPN  11          3HB       DPN  11  -5.850   3.636   1.031
   61    HD1  DPN  11          1HD       DPN  11  -8.217   3.159   2.301
   62    HD2  DPN  11          2HD       DPN  11  -7.682   5.287  -1.347
   63    HE1  DPN  11          1HE       DPN  11 -10.330   4.356   2.694
   64    HE2  DPN  11          2HE       DPN  11  -9.796   6.487  -0.959
   65    HZ   DPN  11           HZ       DPN  11 -11.122   6.023   1.063
   66    H    ARG  12           H        ARG  12  -8.662   0.771   1.225
   67    HA   ARG  12           HA       ARG  12  -7.408   0.585   3.851
   68    HB3  ARG  12          2HB       ARG  12 -10.164  -0.424   3.313
   69    HG3  ARG  12          2HG       ARG  12  -9.281   1.403   5.514
   70    HD3  ARG  12          2HD       ARG  12 -11.115   0.374   6.712
   71    HE   ARG  12           HE       ARG  12 -11.590   1.870   4.385
   72   HH11  ARG  12          1HH2      ARG  12 -13.613   2.872   4.054
   73   HH12  ARG  12          2HH2      ARG  12 -14.999   2.298   4.915
   74   HH21  ARG  12          1HH1      ARG  12 -13.259  -0.208   6.624
   75   HH22  ARG  12          2HH1      ARG  12 -14.799   0.546   6.380
   76    H    TRP  13           H        TRP  13  -6.186  -1.051   2.007
   77    HA   TRP  13           HA       TRP  13  -7.003  -3.717   2.950
   78    HB3  TRP  13          2HB       TRP  13  -5.712  -3.372   0.266
   79    HD1  TRP  13           HD       TRP  13  -4.992  -5.796  -0.167
   80    HE1  TRP  13          1HE       TRP  13  -6.123  -8.102  -0.009
   81    HE3  TRP  13          3HE       TRP  13  -9.414  -4.387   1.977
   82    HZ2  TRP  13          2HZ       TRP  13  -8.567  -9.181   0.903
   83    HZ3  TRP  13          3HZ       TRP  13 -11.096  -6.117   2.459
   84    HH2  TRP  13           HH       TRP  13 -10.679  -8.465   1.932
   85    H    ARG  14           H        ARG  14  -4.289  -2.263   1.142
   86    HA   ARG  14           HA       ARG  14  -2.458  -3.105   3.253
   87    HB3  ARG  14          2HB       ARG  14  -2.280  -3.995   0.375
   88    HG3  ARG  14          2HG       ARG  14  -0.152  -4.065   2.497
   89    HD3  ARG  14          2HD       ARG  14   1.127  -5.482   0.984
   90    HE   ARG  14           HE       ARG  14  -1.200  -7.138   1.205
   91   HH11  ARG  14          1HH2      ARG  14  -1.319  -8.574   2.973
   92   HH12  ARG  14          2HH2      ARG  14  -0.262  -8.348   4.327
   93   HH21  ARG  14          1HH1      ARG  14   1.321  -5.531   2.989
   94   HH22  ARG  14          2HH1      ARG  14   1.239  -6.617   4.337
  Start of MODEL   20
    1    H1   CYS   1           H        CYS   1  -0.927  -1.090   4.191
    2    HA   CYS   1           HA       CYS   1   0.138  -0.132   1.615
    3    HB3  CYS   1          2HB       CYS   1   0.578   2.024   2.583
    4    H    THR   2           H        THR   2   2.133  -0.822   1.276
    5    HA   THR   2           HA       THR   2   3.753  -1.742   3.519
    6    HB   THR   2           HB       THR   2   5.266  -2.658   1.805
    7    HG1  THR   2          1HG       THR   2   3.368  -1.820  -0.135
    8   HG21  THR   2          1HG2      THR   2   2.412  -3.378   1.150
    9   HG22  THR   2          2HG2      THR   2   3.240  -3.914   2.613
   10   HG23  THR   2          3HG2      THR   2   3.839  -4.407   1.030
   11    H    ALA   3           H        ALA   3   6.260  -1.353   2.982
   12    HA   ALA   3           HA       ALA   3   6.557   1.567   2.740
   13    HB1  ALA   3          1HB       ALA   3   8.444   1.430   4.208
   14    HB2  ALA   3          2HB       ALA   3   7.098   0.568   4.955
   15    HB3  ALA   3          3HB       ALA   3   8.401  -0.333   4.180
   16    H    SER   4           H        SER   4   6.506   0.661   0.344
   17    HA   SER   4           HA       SER   4   9.137  -0.242  -0.523
   18    HB3  SER   4          2HB       SER   4   6.691   0.337  -2.209
   19    HG   SER   4           HG       SER   4   7.779  -0.643  -3.784
   20    H    ILE   5           H        ILE   5   9.703   0.868  -2.806
   21    HA   ILE   5           HA       ILE   5   9.431   3.771  -2.589
   22    HB   ILE   5           HB       ILE   5  12.111   2.410  -2.873
   23   HG13  ILE   5          2HG1      ILE   5  10.642   3.554  -0.549
   24   HG21  ILE   5          1HG2      ILE   5  12.575   4.332  -3.944
   25   HG22  ILE   5          2HG2      ILE   5  11.164   5.160  -3.283
   26   HG23  ILE   5          3HG2      ILE   5  12.631   5.007  -2.316
   27   HD11  ILE   5          1HD1      ILE   5  10.931   1.385  -0.049
   28   HD12  ILE   5          2HD1      ILE   5  12.328   1.213  -1.113
   29   HD13  ILE   5          3HD1      ILE   5  12.518   1.939   0.482
   30    HA   PRO   6           HA       PRO   6   8.260   4.867  -3.572
   31    HB3  PRO   6          2HB       PRO   6   7.344   5.860  -5.432
   32    HG3  PRO   6          2HG       PRO   6   7.152   4.700  -7.438
   33    HD3  PRO   6          2HD       PRO   6   9.365   4.283  -6.950
   34    HA   PRO   7           HA       PRO   7   5.975   1.915  -1.243
   35    HB3  PRO   7          2HB       PRO   7   5.673   3.562   0.331
   36    HG3  PRO   7          2HG       PRO   7   5.317   5.772  -0.298
   37    HD3  PRO   7          2HD       PRO   7   7.182   5.293  -1.567
   38    H    ILE   8           H        ILE   8   3.859   0.882  -0.997
   39    HA   ILE   8           HA       ILE   8   2.075   1.318  -3.298
   40    HB   ILE   8           HB       ILE   8   3.117  -1.312  -2.258
   41   HG13  ILE   8          2HG1      ILE   8   3.406   0.290  -4.751
   42   HG21  ILE   8          1HG2      ILE   8   1.544  -2.261  -4.052
   43   HG22  ILE   8          2HG2      ILE   8   0.844  -1.772  -2.511
   44   HG23  ILE   8          3HG2      ILE   8   0.692  -0.724  -3.920
   45   HD11  ILE   8          1HD1      ILE   8   5.150  -1.264  -2.950
   46   HD12  ILE   8          2HD1      ILE   8   5.570  -1.257  -4.662
   47   HD13  ILE   8          3HD1      ILE   8   5.440   0.265  -3.779
   48    H    CYS   9           H        CYS   9  -0.091   1.141  -2.917
   49    HA   CYS   9           HA       CYS   9  -1.009   0.166  -0.323
   50    HB3  CYS   9          2HB       CYS   9  -1.932   2.859  -1.314
   51    H    HIS  10           H        HIS  10  -2.911  -0.876  -0.445
   52    HA   HIS  10           HA       HIS  10  -4.257  -0.909  -3.048
   53    HB3  HIS  10          2HB       HIS  10  -5.349  -2.985  -2.171
   54    HD1  HIS  10          1HD       HIS  10  -4.065  -3.628  -4.360
   55    HD2  HIS  10          2HD       HIS  10  -1.750  -3.646  -0.910
   56    HE1  HIS  10          1HE       HIS  10  -1.959  -4.860  -4.970
   57    H    DPN  11           H        DPN  11  -4.794   1.374  -1.714
   58    HA   DPN  11           HA       DPN  11  -7.634   1.187  -1.328
   59    HB2  DPN  11          2HB       DPN  11  -5.637   3.388  -1.534
   60    HB3  DPN  11          3HB       DPN  11  -7.161   3.742  -0.728
   61    HD1  DPN  11          1HD       DPN  11  -9.299   2.902  -2.052
   62    HD2  DPN  11          2HD       DPN  11  -5.506   3.738  -3.795
   63    HE1  DPN  11          1HE       DPN  11 -10.378   3.233  -4.239
   64    HE2  DPN  11          2HE       DPN  11  -6.580   4.068  -5.984
   65    HZ   DPN  11           HZ       DPN  11  -9.020   3.818  -6.207
   66    H    ARG  12           H        ARG  12  -8.558   0.675   0.532
   67    HA   ARG  12           HA       ARG  12  -7.307   1.599   3.032
   68    HB3  ARG  12          2HB       ARG  12  -9.500   2.542   2.731
   69    HG3  ARG  12          2HG       ARG  12 -10.455  -0.283   2.340
   70    HD3  ARG  12          2HD       ARG  12 -12.696   0.945   2.077
   71    HE   ARG  12           HE       ARG  12 -11.516  -0.051   4.451
   72   HH11  ARG  12          1HH2      ARG  12 -12.860  -0.664   6.189
   73   HH12  ARG  12          2HH2      ARG  12 -14.488  -0.079   6.253
   74   HH21  ARG  12          1HH1      ARG  12 -14.253   1.758   3.287
   75   HH22  ARG  12          2HH1      ARG  12 -15.281   1.299   4.603
   76    H    TRP  13           H        TRP  13  -6.225  -0.662   1.950
   77    HA   TRP  13           HA       TRP  13  -7.259  -2.775   3.724
   78    HB3  TRP  13          2HB       TRP  13  -5.820  -3.321   1.132
   79    HD1  TRP  13           HD       TRP  13  -4.828  -5.348   2.851
   80    HE1  TRP  13          1HE       TRP  13  -5.827  -7.689   3.241
   81    HE3  TRP  13          3HE       TRP  13  -9.599  -4.473   1.238
   82    HZ2  TRP  13          2HZ       TRP  13  -8.310  -8.990   2.910
   83    HZ3  TRP  13          3HZ       TRP  13 -11.226  -6.319   1.307
   84    HH2  TRP  13           HH       TRP  13 -10.591  -8.530   2.125
   85    H    ARG  14           H        ARG  14  -4.326  -2.234   1.765
   86    HA   ARG  14           HA       ARG  14  -2.722  -2.422   4.213
   87    HB3  ARG  14          2HB       ARG  14  -2.331  -4.056   1.705
   88    HG3  ARG  14          2HG       ARG  14  -0.452  -3.675   4.022
   89    HD3  ARG  14          2HD       ARG  14   0.052  -5.585   1.789
   90    HE   ARG  14           HE       ARG  14   1.468  -4.931   4.057
   91   HH11  ARG  14          1HH2      ARG  14   3.080  -6.278   4.942
   92   HH12  ARG  14          2HH2      ARG  14   3.041  -7.980   4.619
   93   HH21  ARG  14          1HH1      ARG  14   0.162  -7.831   2.642
   94   HH22  ARG  14          2HH1      ARG  14   1.382  -8.863   3.311