*HEADER    BIOSYNTHETIC PROTEIN                    16-JAN-19   6NOX              
*TITLE     SOLUTION STRUCTURE OF SFTI-KLK5 INHIBITOR                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SFTI-KLK5 PEPTIDE;                                         
*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_TAXID: 4232                                                 
*KEYWDS    PROTEASE INHIBITOR, BIOSYNTHETIC PROTEIN                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.M.WHITE                                                             
*REVDAT   1   03-APR-19 6NOX    0                                                
# Restraints file 1: restraints.tbl
!distance restraints
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.890    1.090    1.090  
assign (resid   2 and name     )   (resid   2 and name  HB1)   2.890    1.090    1.090  
assign (resid   2 and name   HA)   (resid   3 and name     )   2.425    0.625    0.625  
assign (resid   3 and name   HA)   (resid   4 and name     )   2.425    0.625    0.625  
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.985    1.185    1.185  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.985    1.185    1.185  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.620    0.820    0.820  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.625    0.825    0.825  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.780    0.980    0.980  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.780    0.980    0.980  
assign (resid   7 and name   HA)   (resid   8 and name   HA)   2.525    0.725    0.725  
assign (resid   8 and name   HA)   (resid   9 and name  HD2)   2.610    0.810    0.810  
assign (resid   8 and name   HA)   (resid   9 and name  HD1)   2.610    0.810    0.810  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.440    0.640    0.640  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.415    0.615    0.615  
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.970    1.170    1.170  
assign (resid  11 and name   HN)   (resid  11 and name  HB1)   2.970    1.170    1.170  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.425    0.625    0.625  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.990    1.190    1.190  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.990    1.190    1.190  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   3.395    1.595    1.595  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   3.395    1.595    1.595  
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   3.260    1.460    1.460  
assign (resid   7 and name  HD#)   (resid   8 and name   HA)   2.950    1.150    1.150  
assign (resid   7 and name   HA)   (resid   7 and name  HD#)   2.805    1.005    1.005  
assign (resid   7 and name  HE#)   (resid   8 and name   HA)   3.375    1.575    1.575  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.715    0.915    0.915  
assign (resid   4 and name   HN)   (resid  10 and name   HN)   3.375    1.575    1.575  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.990    1.190    1.190  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   3.280    1.480    1.480  
assign (resid  12 and name   HN)   (resid  12 and name  HE3)   3.030    1.230    1.230  
assign (resid  11 and name   HA)   (resid  12 and name  HE3)   3.060    1.260    1.260  
assign (resid  12 and name   HN)   (resid  14 and name   HN)   3.290    1.490    1.490  
assign (resid   7 and name   HN)   (resid   7 and name  HD#)   3.335    1.535    1.535  
assign (resid   4 and name   HN)   (resid  12 and name  HZ3)   3.650    1.850    1.850  
assign (resid   2 and name   HA)   (resid   2 and name  HD#)   3.055    1.255    1.255  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   3.365    1.565    1.565  
assign (resid  12 and name   HA)   (resid  12 and name  HD1)   3.185    1.385    1.385  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.550    1.750    1.750  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   3.550    1.750    1.750  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   3.260    1.460    1.460  
assign (resid   7 and name   HA)   (resid   9 and name  HD2)   2.925    1.125    1.125  
assign (resid   7 and name   HA)   (resid   9 and name  HD1)   2.925    1.125    1.125  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.625    0.825    0.825  
assign (resid   2 and name  HD#)   (resid   4 and name  HB#)   3.570    1.770    1.770  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.625    0.825    0.825  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.825    1.025    1.025  
assign (resid   3 and name  HB#)   (resid  11 and name   HA)   2.955    1.155    1.155  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.625    0.825    0.825  
assign (resid   4 and name  HB#)   (resid  12 and name  HZ3)   3.410    1.610    1.610  
assign (resid   4 and name  HB#)   (resid  12 and name  HH2)   3.570    1.770    1.770  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.700    0.900    0.900  
assign (resid   5 and name  HB#)   (resid   5 and name   HE)   3.330    1.530    1.530  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.700    0.900    0.900  
assign (resid   7 and name   HA)   (resid   9 and name  HD#)   2.670    0.870    0.870  
assign (resid   7 and name  HD#)   (resid   8 and name  HD#)   3.295    1.495    1.495  
assign (resid   7 and name  HD#)   (resid   9 and name  HD#)   2.835    1.035    1.035  
assign (resid   7 and name  HE#)   (resid   9 and name  HD#)   3.520    1.720    1.720  
assign (resid   8 and name   HA)   (resid   9 and name  HD#)   2.395    0.595    0.595  
assign (resid   8 and name  HB#)   (resid   9 and name  HD#)   2.620    0.820    0.820  
assign (resid   8 and name  HB#)   (resid  10 and name   HN)   3.570    1.770    1.770  
assign (resid  10 and name   HA)   (resid  10 and name  HG#)   2.760    0.960    0.960  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.665    0.865    0.865  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   3.070    1.270    1.270  
assign (resid  12 and name   HN)   (resid  12 and name  HB#)   2.505    0.705    0.705  
assign (resid  12 and name  HB#)   (resid  12 and name  HE3)   2.740    0.940    0.940  
assign (resid  12 and name  HB#)   (resid  13 and name  HD#)   2.500    0.700    0.700  
assign (resid  12 and name  HB#)   (resid  14 and name   HN)   2.705    0.905    0.905  
assign (resid  12 and name  HD1)   (resid  13 and name  HD#)   3.115    1.315    1.315  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.945    1.145    1.145  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.075    1.275    1.275  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.670    0.870    0.870  
!dihedral restraints
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -117.2   20.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  138.7   24.8 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -96.0   28.2 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  119.0   34.6 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0 -100.9   44.2 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  144.0   69.4 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0 -116.4   35.6 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0   92.9   45.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  150.6   20.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  139.9   64.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0  -83.4   24.5 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  133.3   26.5 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0 -116.1   22.2 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  142.0   20.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -81.0   35.7 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  139.4   42.9 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name SG   )    1.0  -60.0   30.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name CB   ) (resid 6     and name OG   )    1.0   60.0   30.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name CB   ) (resid 7     and name CG   )    1.0  180.0   30.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1   8.395  -1.210   0.385
    2    HA2  GLY   1          2HA       GLY   1   8.663  -0.180   2.563
    3    HA3  GLY   1          1HA       GLY   1   9.507   1.139   1.762
    4    H    PHE   2           H        PHE   2   7.519   0.989  -0.455
    5    HA   PHE   2           HA       PHE   2   5.659   2.823   0.778
    6    HB2  PHE   2          2HB       PHE   2   6.930   3.179  -1.434
    7    HB3  PHE   2          1HB       PHE   2   5.773   2.055  -2.125
    8    HD1  PHE   2          1HD       PHE   2   6.093   5.286  -0.386
    9    HD2  PHE   2          2HD       PHE   2   3.635   2.793  -2.791
   10    HE1  PHE   2          1HE       PHE   2   4.559   7.168  -0.756
   11    HE2  PHE   2          2HE       PHE   2   2.095   4.669  -3.164
   12    HZ   PHE   2           HZ       PHE   2   2.559   6.866  -2.148
   13    H    CYS   3           H        CYS   3   3.760   2.156   1.457
   14    HA   CYS   3           HA       CYS   3   2.620  -0.340   0.407
   15    HB2  CYS   3          2HB       CYS   3   2.027   1.035   3.036
   16    HB3  CYS   3          1HB       CYS   3   1.481  -0.553   2.539
   17    H    HIS   4           H        HIS   4   0.503  -0.261  -0.379
   18    HA   HIS   4           HA       HIS   4  -0.659   2.408  -0.583
   19    HB2  HIS   4          2HB       HIS   4  -1.240  -0.134  -2.127
   20    HB3  HIS   4          1HB       HIS   4  -2.155   1.356  -2.306
   21    HD1  HIS   4          1HD       HIS   4  -0.493  -0.041  -4.604
   22    HD2  HIS   4          2HD       HIS   4   0.688   3.206  -2.321
   23    HE1  HIS   4          1HE       HIS   4   1.263   1.161  -5.968
   24    H    ARG   5           H        ARG   5  -2.568   2.844   0.293
   25    HA   ARG   5           HA       ARG   5  -3.521   0.882   2.167
   26    HB2  ARG   5          2HB       ARG   5  -3.223   3.221   2.915
   27    HB3  ARG   5          1HB       ARG   5  -4.476   3.718   1.784
   28    HG2  ARG   5          2HG       ARG   5  -6.090   2.318   2.957
   29    HG3  ARG   5          1HG       ARG   5  -4.837   1.831   4.095
   30    HD2  ARG   5          2HD       ARG   5  -4.572   4.154   4.782
   31    HD3  ARG   5          1HD       ARG   5  -5.852   4.632   3.659
   32    HE   ARG   5           HE       ARG   5  -6.603   2.567   5.460
   33   HH11  ARG   5          1HH1      ARG   5  -6.436   6.080   5.050
   34   HH12  ARG   5          2HH1      ARG   5  -7.574   6.417   6.273
   35   HH21  ARG   5          1HH2      ARG   5  -8.142   3.006   7.083
   36   HH22  ARG   5          2HH2      ARG   5  -8.599   4.603   7.468
   37    H    SER   6           H        SER   6  -4.211  -0.511   0.577
   38    HA   SER   6           HA       SER   6  -6.817   0.083  -0.562
   39    HB2  SER   6          2HB       SER   6  -6.268  -2.125  -1.771
   40    HB3  SER   6          1HB       SER   6  -5.271  -0.732  -2.199
   41    HG   SER   6           HG       SER   6  -4.615  -3.058  -0.852
   42    H    TYR   7           H        TYR   7  -7.917  -2.470  -0.501
   43    HA   TYR   7           HA       TYR   7  -7.406  -3.500   2.170
   44    HB2  TYR   7          2HB       TYR   7  -9.435  -1.911   2.154
   45    HB3  TYR   7          1HB       TYR   7 -10.245  -3.145   1.196
   46    HD1  TYR   7          1HD       TYR   7  -8.766  -2.384   4.473
   47    HD2  TYR   7          2HD       TYR   7 -11.096  -5.162   2.251
   48    HE1  TYR   7          1HE       TYR   7  -9.407  -3.491   6.547
   49    HE2  TYR   7          2HE       TYR   7 -11.751  -6.281   4.327
   50    HH   TYR   7           HH       TYR   7 -11.321  -4.893   7.331
   51    HA   PRO   8           HA       PRO   8  -6.579  -5.217   2.856
   52    HB2  PRO   8          2HB       PRO   8  -4.596  -6.923   2.190
   53    HB3  PRO   8          1HB       PRO   8  -6.143  -7.496   2.817
   54    HG2  PRO   8          2HG       PRO   8  -5.181  -7.343   0.002
   55    HG3  PRO   8          1HG       PRO   8  -6.047  -8.666   0.809
   56    HD2  PRO   8          2HD       PRO   8  -7.265  -6.879  -0.828
   57    HD3  PRO   8          1HD       PRO   8  -8.093  -7.629   0.546
   58    HA   PRO   9           HA       PRO   9  -3.746  -2.149   1.298
   59    HB2  PRO   9          2HB       PRO   9  -1.894  -2.258   3.366
   60    HB3  PRO   9          1HB       PRO   9  -3.381  -1.306   3.398
   61    HG2  PRO   9          2HG       PRO   9  -2.815  -3.976   4.597
   62    HG3  PRO   9          1HG       PRO   9  -3.786  -2.642   5.239
   63    HD2  PRO   9          2HD       PRO   9  -4.911  -4.821   4.138
   64    HD3  PRO   9          1HD       PRO   9  -5.632  -3.209   3.962
   65    H    GLU  10           H        GLU  10  -2.492  -2.606  -0.357
   66    HA   GLU  10           HA       GLU  10  -0.797  -4.938  -0.291
   67    HB2  GLU  10          2HB       GLU  10  -1.293  -2.961  -2.502
   68    HB3  GLU  10          1HB       GLU  10  -0.363  -4.441  -2.647
   69    HG2  GLU  10          2HG       GLU  10  -2.397  -5.719  -2.091
   70    HG3  GLU  10          1HG       GLU  10  -3.303  -4.204  -2.089
   71    H    CYS  11           H        CYS  11   1.277  -4.846   0.188
   72    HA   CYS  11           HA       CYS  11   2.652  -2.337  -0.280
   73    HB2  CYS  11          2HB       CYS  11   2.059  -2.554   2.152
   74    HB3  CYS  11          1HB       CYS  11   3.026  -4.026   2.193
   75    H    TRP  12           H        TRP  12   4.785  -2.555  -0.796
   76    HA   TRP  12           HA       TRP  12   5.625  -5.270  -1.496
   77    HB2  TRP  12          2HB       TRP  12   6.029  -2.657  -2.992
   78    HB3  TRP  12          1HB       TRP  12   6.885  -4.137  -3.403
   79    HD1  TRP  12           HD       TRP  12   5.551  -5.995  -4.723
   80    HE1  TRP  12          1HE       TRP  12   3.242  -6.053  -5.856
   81    HE3  TRP  12          3HE       TRP  12   3.585  -1.689  -2.786
   82    HZ2  TRP  12          2HZ       TRP  12   0.898  -4.473  -5.929
   83    HZ3  TRP  12          3HZ       TRP  12   1.305  -1.043  -3.441
   84    HH2  TRP  12           HH       TRP  12  -0.000  -2.417  -4.982
   85    HA   PRO  13           HA       PRO  13   9.244  -4.628   1.003
   86    HB2  PRO  13          2HB       PRO  13  11.251  -5.664  -0.542
   87    HB3  PRO  13          1HB       PRO  13  10.082  -6.652   0.344
   88    HG2  PRO  13          2HG       PRO  13  10.086  -5.832  -2.531
   89    HG3  PRO  13          1HG       PRO  13   9.755  -7.427  -1.832
   90    HD2  PRO  13          2HD       PRO  13   7.765  -5.845  -2.630
   91    HD3  PRO  13          1HD       PRO  13   7.613  -6.822  -1.157
   92    H    ASN  14           H        ASN  14   8.630  -2.618  -1.253
   93    HA   ASN  14           HA       ASN  14  11.186  -1.294  -1.674
   94    HB2  ASN  14          2HB       ASN  14   9.520  -1.303  -3.485
   95    HB3  ASN  14          1HB       ASN  14   8.354  -0.520  -2.430
   96   HD21  ASN  14          1HD2      ASN  14  11.180  -0.108  -4.357
   97   HD22  ASN  14          2HD2      ASN  14  11.202   1.617  -4.315
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   8.420  -1.243   0.467
    2    HA2  GLY   1          2HA       GLY   1   7.966  -0.336   2.668
    3    HA3  GLY   1          1HA       GLY   1   8.906   1.080   2.212
    4    H    PHE   2           H        PHE   2   7.196   0.211  -0.432
    5    HA   PHE   2           HA       PHE   2   5.290   2.302   0.140
    6    HB2  PHE   2          2HB       PHE   2   6.447   2.397  -2.042
    7    HB3  PHE   2          1HB       PHE   2   5.744   0.840  -2.477
    8    HD1  PHE   2          1HD       PHE   2   3.755   0.812  -3.675
    9    HD2  PHE   2          2HD       PHE   2   4.727   4.248  -1.370
   10    HE1  PHE   2          1HE       PHE   2   1.748   1.943  -4.522
   11    HE2  PHE   2          2HE       PHE   2   2.724   5.390  -2.220
   12    HZ   PHE   2           HZ       PHE   2   1.228   4.239  -3.797
   13    H    CYS   3           H        CYS   3   3.786   1.582   1.380
   14    HA   CYS   3           HA       CYS   3   2.307  -0.804   0.570
   15    HB2  CYS   3          2HB       CYS   3   2.178   0.734   3.176
   16    HB3  CYS   3          1HB       CYS   3   1.321  -0.753   2.818
   17    H    HIS   4           H        HIS   4   0.636  -0.368  -0.662
   18    HA   HIS   4           HA       HIS   4  -0.465   2.270  -0.814
   19    HB2  HIS   4          2HB       HIS   4  -0.206   0.977  -2.864
   20    HB3  HIS   4          1HB       HIS   4  -1.158  -0.342  -2.199
   21    HD1  HIS   4          1HD       HIS   4  -1.628   3.278  -3.395
   22    HD2  HIS   4          2HD       HIS   4  -3.764  -0.218  -2.728
   23    HE1  HIS   4          1HE       HIS   4  -3.929   3.727  -4.232
   24    H    ARG   5           H        ARG   5  -2.434   2.909  -0.101
   25    HA   ARG   5           HA       ARG   5  -3.473   1.354   2.082
   26    HB2  ARG   5          2HB       ARG   5  -3.011   3.822   2.287
   27    HB3  ARG   5          1HB       ARG   5  -4.284   4.121   1.127
   28    HG2  ARG   5          2HG       ARG   5  -4.817   2.748   3.758
   29    HG3  ARG   5          1HG       ARG   5  -4.794   4.497   3.611
   30    HD2  ARG   5          2HD       ARG   5  -6.608   2.595   2.134
   31    HD3  ARG   5          1HD       ARG   5  -7.071   3.644   3.475
   32    HE   ARG   5           HE       ARG   5  -6.112   5.401   1.699
   33   HH11  ARG   5          1HH1      ARG   5  -8.509   2.799   1.368
   34   HH12  ARG   5          2HH1      ARG   5  -9.297   3.528   0.056
   35   HH21  ARG   5          1HH2      ARG   5  -7.204   6.383  -0.090
   36   HH22  ARG   5          2HH2      ARG   5  -8.551   5.608  -0.801
   37    H    SER   6           H        SER   6  -4.377  -0.308   1.085
   38    HA   SER   6           HA       SER   6  -6.963   0.187  -0.167
   39    HB2  SER   6          2HB       SER   6  -6.456  -1.948  -1.478
   40    HB3  SER   6          1HB       SER   6  -5.562  -0.512  -1.975
   41    HG   SER   6           HG       SER   6  -4.705  -2.820  -0.652
   42    H    TYR   7           H        TYR   7  -8.009  -2.305  -0.093
   43    HA   TYR   7           HA       TYR   7  -7.383  -3.327   2.560
   44    HB2  TYR   7          2HB       TYR   7  -9.367  -1.768   2.593
   45    HB3  TYR   7          1HB       TYR   7 -10.184  -2.881   1.506
   46    HD1  TYR   7          1HD       TYR   7 -11.505  -4.569   2.415
   47    HD2  TYR   7          2HD       TYR   7  -8.494  -2.766   4.802
   48    HE1  TYR   7          1HE       TYR   7 -12.299  -5.824   4.362
   49    HE2  TYR   7          2HE       TYR   7  -9.264  -4.010   6.744
   50    HH   TYR   7           HH       TYR   7 -11.424  -6.606   6.504
   51    HA   PRO   8           HA       PRO   8  -6.344  -4.975   3.152
   52    HB2  PRO   8          2HB       PRO   8  -4.595  -6.908   1.795
   53    HB3  PRO   8          1HB       PRO   8  -5.313  -7.005   3.404
   54    HG2  PRO   8          2HG       PRO   8  -6.122  -8.604   1.410
   55    HG3  PRO   8          1HG       PRO   8  -7.252  -7.978   2.625
   56    HD2  PRO   8          2HD       PRO   8  -6.740  -6.988  -0.162
   57    HD3  PRO   8          1HD       PRO   8  -8.293  -7.285   0.648
   58    HA   PRO   9           HA       PRO   9  -3.471  -2.182   1.230
   59    HB2  PRO   9          2HB       PRO   9  -1.355  -2.337   2.971
   60    HB3  PRO   9          1HB       PRO   9  -2.826  -1.417   3.295
   61    HG2  PRO   9          2HG       PRO   9  -2.052  -4.147   4.236
   62    HG3  PRO   9          1HG       PRO   9  -2.844  -2.837   5.133
   63    HD2  PRO   9          2HD       PRO   9  -4.229  -4.929   4.160
   64    HD3  PRO   9          1HD       PRO   9  -4.916  -3.292   4.217
   65    H    GLU  10           H        GLU  10  -2.474  -2.651  -0.579
   66    HA   GLU  10           HA       GLU  10  -0.868  -5.040  -0.928
   67    HB2  GLU  10          2HB       GLU  10  -2.376  -4.121  -2.696
   68    HB3  GLU  10          1HB       GLU  10  -1.361  -2.691  -2.776
   69    HG2  GLU  10          2HG       GLU  10  -0.819  -4.142  -4.599
   70    HG3  GLU  10          1HG       GLU  10   0.529  -4.119  -3.467
   71    H    CYS  11           H        CYS  11   1.321  -5.014  -0.444
   72    HA   CYS  11           HA       CYS  11   2.571  -2.395  -0.555
   73    HB2  CYS  11          2HB       CYS  11   1.965  -2.855   1.786
   74    HB3  CYS  11          1HB       CYS  11   2.915  -4.331   1.743
   75    H    TRP  12           H        TRP  12   4.711  -2.327  -0.952
   76    HA   TRP  12           HA       TRP  12   5.858  -4.782  -2.040
   77    HB2  TRP  12          2HB       TRP  12   6.163  -1.899  -2.933
   78    HB3  TRP  12          1HB       TRP  12   7.148  -3.227  -3.532
   79    HD1  TRP  12           HD       TRP  12   6.148  -4.761  -5.376
   80    HE1  TRP  12          1HE       TRP  12   4.013  -4.678  -6.804
   81    HE3  TRP  12          3HE       TRP  12   3.581  -1.204  -2.769
   82    HZ2  TRP  12          2HZ       TRP  12   1.546  -3.279  -6.813
   83    HZ3  TRP  12          3HZ       TRP  12   1.344  -0.554  -3.555
   84    HH2  TRP  12           HH       TRP  12   0.359  -1.577  -5.531
   85    HA   PRO  13           HA       PRO  13   8.922  -4.657   1.092
   86    HB2  PRO  13          2HB       PRO  13  11.163  -5.359  -0.396
   87    HB3  PRO  13          1HB       PRO  13  10.006  -6.472   0.338
   88    HG2  PRO  13          2HG       PRO  13  10.173  -5.479  -2.465
   89    HG3  PRO  13          1HG       PRO  13   9.730  -7.086  -1.867
   90    HD2  PRO  13          2HD       PRO  13   7.875  -5.374  -2.748
   91    HD3  PRO  13          1HD       PRO  13   7.562  -6.437  -1.359
   92    H    ASN  14           H        ASN  14   9.340  -2.466  -1.541
   93    HA   ASN  14           HA       ASN  14  11.645  -1.170  -0.427
   94    HB2  ASN  14          2HB       ASN  14   9.670  -0.241  -2.509
   95    HB3  ASN  14          1HB       ASN  14  10.923   0.827  -1.890
   96   HD21  ASN  14          1HD2      ASN  14  10.558  -0.105  -4.574
   97   HD22  ASN  14          2HD2      ASN  14  11.981  -0.966  -5.013
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   8.842  -1.339   0.055
    2    HA2  GLY   1          2HA       GLY   1   8.472  -0.339   2.159
    3    HA3  GLY   1          1HA       GLY   1   9.609   0.940   1.726
    4    H    PHE   2           H        PHE   2   6.862  -0.390   0.013
    5    HA   PHE   2           HA       PHE   2   5.611   2.258   0.062
    6    HB2  PHE   2          2HB       PHE   2   6.819   1.856  -2.111
    7    HB3  PHE   2          1HB       PHE   2   5.807   0.442  -2.361
    8    HD1  PHE   2          1HD       PHE   2   3.464   0.685  -2.959
    9    HD2  PHE   2          2HD       PHE   2   5.938   4.069  -2.315
   10    HE1  PHE   2          1HE       PHE   2   1.770   2.118  -3.997
   11    HE2  PHE   2          2HE       PHE   2   4.240   5.510  -3.356
   12    HZ   PHE   2           HZ       PHE   2   2.157   4.533  -4.197
   13    H    CYS   3           H        CYS   3   3.438   2.129   0.503
   14    HA   CYS   3           HA       CYS   3   2.126  -0.477   0.295
   15    HB2  CYS   3          2HB       CYS   3   1.971   1.377   2.682
   16    HB3  CYS   3          1HB       CYS   3   1.104  -0.137   2.486
   17    H    HIS   4           H        HIS   4  -0.130  -0.280   0.013
   18    HA   HIS   4           HA       HIS   4  -1.119   2.462  -0.398
   19    HB2  HIS   4          2HB       HIS   4  -2.000  -0.108  -1.756
   20    HB3  HIS   4          1HB       HIS   4  -2.959   1.358  -1.782
   21    HD1  HIS   4          1HD       HIS   4  -1.758   3.457  -3.117
   22    HD2  HIS   4          2HD       HIS   4  -0.199  -0.346  -3.707
   23    HE1  HIS   4          1HE       HIS   4  -0.426   3.580  -5.228
   24    H    ARG   5           H        ARG   5  -3.144   2.905   0.491
   25    HA   ARG   5           HA       ARG   5  -3.844   1.105   2.674
   26    HB2  ARG   5          2HB       ARG   5  -4.822   3.908   2.075
   27    HB3  ARG   5          1HB       ARG   5  -5.265   2.961   3.485
   28    HG2  ARG   5          2HG       ARG   5  -2.544   4.065   2.809
   29    HG3  ARG   5          1HG       ARG   5  -3.597   4.552   4.136
   30    HD2  ARG   5          2HD       ARG   5  -2.190   1.902   3.790
   31    HD3  ARG   5          1HD       ARG   5  -1.835   3.136   4.993
   32    HE   ARG   5           HE       ARG   5  -4.359   2.594   5.563
   33   HH11  ARG   5          1HH1      ARG   5  -1.570   0.481   5.072
   34   HH12  ARG   5          2HH1      ARG   5  -2.178  -0.825   5.946
   35   HH21  ARG   5          1HH2      ARG   5  -5.246   0.804   6.811
   36   HH22  ARG   5          2HH2      ARG   5  -4.346  -0.624   6.973
   37    H    SER   6           H        SER   6  -4.373  -0.097   0.526
   38    HA   SER   6           HA       SER   6  -6.983   0.429  -0.529
   39    HB2  SER   6          2HB       SER   6  -6.262  -1.607  -1.884
   40    HB3  SER   6          1HB       SER   6  -5.301  -0.137  -2.078
   41    HG   SER   6           HG       SER   6  -4.623  -2.572  -0.965
   42    H    TYR   7           H        TYR   7  -7.934  -2.099  -0.934
   43    HA   TYR   7           HA       TYR   7  -7.892  -3.429   1.641
   44    HB2  TYR   7          2HB       TYR   7  -9.928  -2.024   1.501
   45    HB3  TYR   7          1HB       TYR   7 -10.385  -2.854   0.020
   46    HD1  TYR   7          1HD       TYR   7  -9.416  -3.690   3.515
   47    HD2  TYR   7          2HD       TYR   7 -11.972  -4.533   0.226
   48    HE1  TYR   7          1HE       TYR   7 -10.590  -5.335   4.866
   49    HE2  TYR   7          2HE       TYR   7 -13.169  -6.196   1.573
   50    HH   TYR   7           HH       TYR   7 -12.752  -7.610   3.590
   51    HA   PRO   8           HA       PRO   8  -7.012  -5.063   2.265
   52    HB2  PRO   8          2HB       PRO   8  -4.880  -6.824   1.414
   53    HB3  PRO   8          1HB       PRO   8  -6.155  -7.141   2.591
   54    HG2  PRO   8          2HG       PRO   8  -5.981  -8.397   0.172
   55    HG3  PRO   8          1HG       PRO   8  -7.502  -8.149   1.046
   56    HD2  PRO   8          2HD       PRO   8  -6.364  -6.614  -1.255
   57    HD3  PRO   8          1HD       PRO   8  -8.040  -7.108  -0.944
   58    HA   PRO   9           HA       PRO   9  -3.714  -2.282   1.153
   59    HB2  PRO   9          2HB       PRO   9  -2.673  -1.803   3.594
   60    HB3  PRO   9          1HB       PRO   9  -4.256  -1.188   3.126
   61    HG2  PRO   9          2HG       PRO   9  -3.580  -3.544   4.830
   62    HG3  PRO   9          1HG       PRO   9  -4.881  -2.355   5.023
   63    HD2  PRO   9          2HD       PRO   9  -5.205  -4.871   3.933
   64    HD3  PRO   9          1HD       PRO   9  -6.276  -3.492   3.623
   65    H    GLU  10           H        GLU  10  -2.041  -3.135   0.060
   66    HA   GLU  10           HA       GLU  10  -0.377  -5.046   1.485
   67    HB2  GLU  10          2HB       GLU  10   0.331  -5.922  -0.703
   68    HB3  GLU  10          1HB       GLU  10  -1.394  -6.070  -0.419
   69    HG2  GLU  10          2HG       GLU  10  -1.763  -4.094  -1.836
   70    HG3  GLU  10          1HG       GLU  10  -0.029  -4.051  -2.170
   71    H    CYS  11           H        CYS  11   1.907  -5.091   0.935
   72    HA   CYS  11           HA       CYS  11   2.972  -2.424   0.422
   73    HB2  CYS  11          2HB       CYS  11   3.758  -4.350   2.610
   74    HB3  CYS  11          1HB       CYS  11   4.672  -2.912   2.175
   75    H    TRP  12           H        TRP  12   4.991  -2.386  -0.476
   76    HA   TRP  12           HA       TRP  12   5.935  -4.899  -1.645
   77    HB2  TRP  12          2HB       TRP  12   6.036  -2.063  -2.707
   78    HB3  TRP  12          1HB       TRP  12   6.984  -3.374  -3.400
   79    HD1  TRP  12           HD       TRP  12   5.797  -4.942  -5.097
   80    HE1  TRP  12          1HE       TRP  12   3.412  -5.047  -6.097
   81    HE3  TRP  12          3HE       TRP  12   3.438  -1.614  -2.018
   82    HZ2  TRP  12          2HZ       TRP  12   0.908  -3.913  -5.639
   83    HZ3  TRP  12          3HZ       TRP  12   1.056  -1.193  -2.353
   84    HH2  TRP  12           HH       TRP  12  -0.192  -2.333  -4.147
   85    HA   PRO  13           HA       PRO  13   9.653  -4.767   0.729
   86    HB2  PRO  13          2HB       PRO  13  11.035  -5.159  -1.879
   87    HB3  PRO  13          1HB       PRO  13  11.228  -6.052  -0.363
   88    HG2  PRO  13          2HG       PRO  13   9.834  -7.122  -2.325
   89    HG3  PRO  13          1HG       PRO  13   9.237  -7.229  -0.659
   90    HD2  PRO  13          2HD       PRO  13   8.318  -5.475  -2.894
   91    HD3  PRO  13          1HD       PRO  13   7.382  -6.289  -1.623
   92    H    ASN  14           H        ASN  14   9.491  -2.720  -2.079
   93    HA   ASN  14           HA       ASN  14  11.800  -1.151  -1.599
   94    HB2  ASN  14          2HB       ASN  14  10.670  -1.098  -3.766
   95    HB3  ASN  14          1HB       ASN  14   9.217  -0.446  -3.029
   96   HD21  ASN  14          1HD2      ASN  14   9.088   1.768  -2.663
   97   HD22  ASN  14          2HD2      ASN  14  10.281   2.867  -3.211
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1   9.270  -1.296   0.918
    2    HA2  GLY   1          2HA       GLY   1   8.722  -0.032   2.736
    3    HA3  GLY   1          1HA       GLY   1   9.805   1.210   2.111
    4    H    PHE   2           H        PHE   2   6.898  -0.217   0.696
    5    HA   PHE   2           HA       PHE   2   5.495   2.294   0.948
    6    HB2  PHE   2          2HB       PHE   2   6.824   2.532  -1.147
    7    HB3  PHE   2          1HB       PHE   2   6.064   1.075  -1.768
    8    HD1  PHE   2          1HD       PHE   2   3.921   1.161  -2.795
    9    HD2  PHE   2          2HD       PHE   2   5.437   4.567  -0.732
   10    HE1  PHE   2          1HE       PHE   2   2.102   2.529  -3.718
   11    HE2  PHE   2          2HE       PHE   2   3.621   5.937  -1.659
   12    HZ   PHE   2           HZ       PHE   2   1.950   4.920  -3.151
   13    H    CYS   3           H        CYS   3   3.364   1.969   1.112
   14    HA   CYS   3           HA       CYS   3   2.248  -0.618   0.361
   15    HB2  CYS   3          2HB       CYS   3   1.737   0.920   2.913
   16    HB3  CYS   3          1HB       CYS   3   0.816  -0.483   2.385
   17    H    HIS   4           H        HIS   4   0.225  -0.514  -0.421
   18    HA   HIS   4           HA       HIS   4  -0.812   2.151  -1.044
   19    HB2  HIS   4          2HB       HIS   4  -0.476   0.572  -2.923
   20    HB3  HIS   4          1HB       HIS   4  -1.511  -0.600  -2.126
   21    HD1  HIS   4          1HD       HIS   4  -3.570  -0.713  -3.514
   22    HD2  HIS   4          2HD       HIS   4  -2.228   3.178  -3.012
   23    HE1  HIS   4          1HE       HIS   4  -5.239   0.750  -4.692
   24    H    ARG   5           H        ARG   5  -2.606   2.846   0.040
   25    HA   ARG   5           HA       ARG   5  -3.635   1.017   2.002
   26    HB2  ARG   5          2HB       ARG   5  -4.254   3.953   1.660
   27    HB3  ARG   5          1HB       ARG   5  -4.832   2.939   2.976
   28    HG2  ARG   5          2HG       ARG   5  -1.946   3.589   2.383
   29    HG3  ARG   5          1HG       ARG   5  -2.923   4.287   3.671
   30    HD2  ARG   5          2HD       ARG   5  -2.210   1.347   3.414
   31    HD3  ARG   5          1HD       ARG   5  -1.415   2.515   4.459
   32    HE   ARG   5           HE       ARG   5  -4.086   2.642   5.053
   33   HH11  ARG   5          1HH1      ARG   5  -1.621   0.065   5.246
   34   HH12  ARG   5          2HH1      ARG   5  -2.253  -0.567   6.688
   35   HH21  ARG   5          1HH2      ARG   5  -4.877   1.717   7.037
   36   HH22  ARG   5          2HH2      ARG   5  -4.099   0.383   7.739
   37    H    SER   6           H        SER   6  -4.397  -0.268   0.362
   38    HA   SER   6           HA       SER   6  -7.093   0.332  -0.532
   39    HB2  SER   6          2HB       SER   6  -6.632  -1.865  -1.757
   40    HB3  SER   6          1HB       SER   6  -5.634  -0.491  -2.249
   41    HG   SER   6           HG       SER   6  -4.940  -2.805  -0.851
   42    H    TYR   7           H        TYR   7  -8.090  -2.315  -0.400
   43    HA   TYR   7           HA       TYR   7  -7.387  -3.308   2.216
   44    HB2  TYR   7          2HB       TYR   7  -9.404  -1.669   2.313
   45    HB3  TYR   7          1HB       TYR   7 -10.298  -2.972   1.540
   46    HD1  TYR   7          1HD       TYR   7 -11.149  -4.770   2.832
   47    HD2  TYR   7          2HD       TYR   7  -8.256  -2.140   4.494
   48    HE1  TYR   7          1HE       TYR   7 -11.498  -5.784   5.036
   49    HE2  TYR   7          2HE       TYR   7  -8.584  -3.138   6.689
   50    HH   TYR   7           HH       TYR   7 -10.356  -4.299   7.842
   51    HA   PRO   8           HA       PRO   8  -6.639  -5.114   2.900
   52    HB2  PRO   8          2HB       PRO   8  -4.706  -6.829   2.085
   53    HB3  PRO   8          1HB       PRO   8  -6.221  -7.385   2.800
   54    HG2  PRO   8          2HG       PRO   8  -5.462  -7.182  -0.083
   55    HG3  PRO   8          1HG       PRO   8  -6.258  -8.521   0.763
   56    HD2  PRO   8          2HD       PRO   8  -7.641  -6.748  -0.719
   57    HD3  PRO   8          1HD       PRO   8  -8.308  -7.459   0.764
   58    HA   PRO   9           HA       PRO   9  -3.742  -2.190   1.071
   59    HB2  PRO   9          2HB       PRO   9  -2.128  -2.356   3.501
   60    HB3  PRO   9          1HB       PRO   9  -3.098  -1.007   2.917
   61    HG2  PRO   9          2HG       PRO   9  -3.761  -2.440   5.111
   62    HG3  PRO   9          1HG       PRO   9  -4.970  -1.682   4.060
   63    HD2  PRO   9          2HD       PRO   9  -4.073  -4.530   4.179
   64    HD3  PRO   9          1HD       PRO   9  -5.713  -3.857   4.001
   65    H    GLU  10           H        GLU  10  -2.321  -2.816  -0.379
   66    HA   GLU  10           HA       GLU  10  -0.678  -5.151   0.094
   67    HB2  GLU  10          2HB       GLU  10  -1.168  -3.479  -2.350
   68    HB3  GLU  10          1HB       GLU  10  -0.091  -4.870  -2.310
   69    HG2  GLU  10          2HG       GLU  10  -1.924  -6.315  -1.703
   70    HG3  GLU  10          1HG       GLU  10  -3.013  -4.934  -1.636
   71    H    CYS  11           H        CYS  11   1.470  -5.172   0.274
   72    HA   CYS  11           HA       CYS  11   2.826  -2.584   0.231
   73    HB2  CYS  11          2HB       CYS  11   3.213  -4.862   2.170
   74    HB3  CYS  11          1HB       CYS  11   4.237  -3.431   2.067
   75    H    TRP  12           H        TRP  12   4.918  -2.555  -0.447
   76    HA   TRP  12           HA       TRP  12   5.817  -4.942  -1.900
   77    HB2  TRP  12          2HB       TRP  12   6.165  -2.002  -2.565
   78    HB3  TRP  12          1HB       TRP  12   7.004  -3.297  -3.406
   79    HD1  TRP  12           HD       TRP  12   5.636  -4.667  -5.207
   80    HE1  TRP  12          1HE       TRP  12   3.337  -4.307  -6.313
   81    HE3  TRP  12          3HE       TRP  12   3.754  -1.116  -2.057
   82    HZ2  TRP  12          2HZ       TRP  12   1.039  -2.742  -5.901
   83    HZ3  TRP  12          3HZ       TRP  12   1.499  -0.241  -2.486
   84    HH2  TRP  12           HH       TRP  12   0.173  -1.047  -4.375
   85    HA   PRO  13           HA       PRO  13   9.630  -4.607   0.538
   86    HB2  PRO  13          2HB       PRO  13  11.262  -5.364  -1.760
   87    HB3  PRO  13          1HB       PRO  13  10.858  -6.320  -0.332
   88    HG2  PRO  13          2HG       PRO  13   9.930  -6.894  -2.808
   89    HG3  PRO  13          1HG       PRO  13   9.038  -7.276  -1.329
   90    HD2  PRO  13          2HD       PRO  13   8.667  -5.017  -3.247
   91    HD3  PRO  13          1HD       PRO  13   7.443  -6.015  -2.431
   92    H    ASN  14           H        ASN  14   8.785  -2.250  -0.673
   93    HA   ASN  14           HA       ASN  14  11.288  -0.944  -1.565
   94    HB2  ASN  14          2HB       ASN  14   8.465  -0.309  -2.475
   95    HB3  ASN  14          1HB       ASN  14   9.928   0.506  -3.001
   96   HD21  ASN  14          1HD2      ASN  14  11.448  -2.015  -3.249
   97   HD22  ASN  14          2HD2      ASN  14  10.851  -2.753  -4.685
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1   9.241  -0.904   0.688
    2    HA2  GLY   1          2HA       GLY   1   9.413   0.553   2.468
    3    HA3  GLY   1          1HA       GLY   1  10.237   1.694   1.407
    4    H    PHE   2           H        PHE   2   7.198   0.258   0.655
    5    HA   PHE   2           HA       PHE   2   5.613   2.531   1.359
    6    HB2  PHE   2          2HB       PHE   2   6.611   3.402  -0.691
    7    HB3  PHE   2          1HB       PHE   2   6.242   1.914  -1.546
    8    HD1  PHE   2          1HD       PHE   2   4.673   4.835   0.125
    9    HD2  PHE   2          2HD       PHE   2   4.214   1.673  -2.684
   10    HE1  PHE   2          1HE       PHE   2   2.531   5.791  -0.599
   11    HE2  PHE   2          2HE       PHE   2   2.063   2.627  -3.409
   12    HZ   PHE   2           HZ       PHE   2   1.220   4.677  -2.367
   13    H    CYS   3           H        CYS   3   3.572   1.855   1.687
   14    HA   CYS   3           HA       CYS   3   2.773  -0.732   0.572
   15    HB2  CYS   3          2HB       CYS   3   1.766   0.607   3.107
   16    HB3  CYS   3          1HB       CYS   3   1.344  -0.994   2.532
   17    H    HIS   4           H        HIS   4   0.643  -0.762  -0.345
   18    HA   HIS   4           HA       HIS   4  -0.337   1.868  -1.079
   19    HB2  HIS   4          2HB       HIS   4  -0.008   0.069  -2.795
   20    HB3  HIS   4          1HB       HIS   4  -1.222  -0.895  -1.973
   21    HD1  HIS   4          1HD       HIS   4  -0.859   1.541  -4.657
   22    HD2  HIS   4          2HD       HIS   4  -3.836   0.380  -2.024
   23    HE1  HIS   4          1HE       HIS   4  -2.993   2.376  -5.653
   24    H    ARG   5           H        ARG   5  -2.063   2.729  -0.108
   25    HA   ARG   5           HA       ARG   5  -3.338   1.140   1.906
   26    HB2  ARG   5          2HB       ARG   5  -4.540   3.273   2.556
   27    HB3  ARG   5          1HB       ARG   5  -2.805   3.264   2.771
   28    HG2  ARG   5          2HG       ARG   5  -2.582   4.548   0.667
   29    HG3  ARG   5          1HG       ARG   5  -4.342   4.599   0.560
   30    HD2  ARG   5          2HD       ARG   5  -2.766   5.622   2.910
   31    HD3  ARG   5          1HD       ARG   5  -3.308   6.633   1.572
   32    HE   ARG   5           HE       ARG   5  -5.595   5.637   2.257
   33   HH11  ARG   5          1HH1      ARG   5  -3.055   6.533   4.556
   34   HH12  ARG   5          2HH1      ARG   5  -4.118   7.151   5.720
   35   HH21  ARG   5          1HH2      ARG   5  -7.075   6.506   3.867
   36   HH22  ARG   5          2HH2      ARG   5  -6.467   7.151   5.309
   37    H    SER   6           H        SER   6  -4.410  -0.288   0.847
   38    HA   SER   6           HA       SER   6  -6.995   0.581  -0.177
   39    HB2  SER   6          2HB       SER   6  -6.781  -1.468  -1.694
   40    HB3  SER   6          1HB       SER   6  -5.779  -0.089  -2.133
   41    HG   SER   6           HG       SER   6  -4.848  -2.360  -1.961
   42    H    TYR   7           H        TYR   7  -8.052  -2.035  -0.377
   43    HA   TYR   7           HA       TYR   7  -7.318  -3.405   2.040
   44    HB2  TYR   7          2HB       TYR   7  -9.135  -1.934   2.800
   45    HB3  TYR   7          1HB       TYR   7 -10.180  -2.550   1.521
   46    HD1  TYR   7          1HD       TYR   7  -8.168  -3.747   4.431
   47    HD2  TYR   7          2HD       TYR   7 -11.610  -4.327   2.001
   48    HE1  TYR   7          1HE       TYR   7  -8.889  -5.552   5.900
   49    HE2  TYR   7          2HE       TYR   7 -12.352  -6.130   3.465
   50    HH   TYR   7           HH       TYR   7 -10.907  -6.713   6.523
   51    HA   PRO   8           HA       PRO   8  -6.875  -5.247   2.701
   52    HB2  PRO   8          2HB       PRO   8  -5.270  -7.259   1.281
   53    HB3  PRO   8          1HB       PRO   8  -6.150  -7.420   2.803
   54    HG2  PRO   8          2HG       PRO   8  -6.963  -8.664   0.569
   55    HG3  PRO   8          1HG       PRO   8  -8.115  -8.031   1.759
   56    HD2  PRO   8          2HD       PRO   8  -7.235  -6.829  -0.848
   57    HD3  PRO   8          1HD       PRO   8  -8.873  -6.974  -0.169
   58    HA   PRO   9           HA       PRO   9  -3.854  -2.468   0.952
   59    HB2  PRO   9          2HB       PRO   9  -2.224  -2.316   3.183
   60    HB3  PRO   9          1HB       PRO   9  -3.677  -1.347   2.929
   61    HG2  PRO   9          2HG       PRO   9  -3.307  -3.801   4.575
   62    HG3  PRO   9          1HG       PRO   9  -4.317  -2.380   4.884
   63    HD2  PRO   9          2HD       PRO   9  -5.287  -4.738   4.007
   64    HD3  PRO   9          1HD       PRO   9  -6.030  -3.177   3.603
   65    H    GLU  10           H        GLU  10  -2.405  -3.114  -0.423
   66    HA   GLU  10           HA       GLU  10  -0.781  -5.450   0.157
   67    HB2  GLU  10          2HB       GLU  10  -1.986  -5.423  -1.968
   68    HB3  GLU  10          1HB       GLU  10  -1.235  -3.893  -2.385
   69    HG2  GLU  10          2HG       GLU  10   0.911  -4.934  -2.584
   70    HG3  GLU  10          1HG       GLU  10   0.270  -6.459  -1.969
   71    H    CYS  11           H        CYS  11   1.339  -5.313   0.539
   72    HA   CYS  11           HA       CYS  11   2.537  -2.690   0.164
   73    HB2  CYS  11          2HB       CYS  11   2.010  -3.172   2.578
   74    HB3  CYS  11          1HB       CYS  11   3.097  -4.552   2.481
   75    H    TRP  12           H        TRP  12   4.596  -2.709  -0.581
   76    HA   TRP  12           HA       TRP  12   5.619  -5.325  -1.470
   77    HB2  TRP  12          2HB       TRP  12   6.030  -2.611  -2.760
   78    HB3  TRP  12          1HB       TRP  12   6.524  -4.166  -3.403
   79    HD1  TRP  12           HD       TRP  12   4.439  -5.803  -4.243
   80    HE1  TRP  12          1HE       TRP  12   2.187  -5.116  -5.309
   81    HE3  TRP  12          3HE       TRP  12   4.310  -0.914  -2.799
   82    HZ2  TRP  12          2HZ       TRP  12   0.588  -2.819  -5.510
   83    HZ3  TRP  12          3HZ       TRP  12   2.384   0.462  -3.472
   84    HH2  TRP  12           HH       TRP  12   0.569  -0.479  -4.799
   85    HA   PRO  13           HA       PRO  13   9.319  -4.123   0.835
   86    HB2  PRO  13          2HB       PRO  13  11.307  -5.186  -0.647
   87    HB3  PRO  13          1HB       PRO  13  10.159  -6.210   0.227
   88    HG2  PRO  13          2HG       PRO  13  10.136  -5.396  -2.659
   89    HG3  PRO  13          1HG       PRO  13   9.951  -7.020  -1.968
   90    HD2  PRO  13          2HD       PRO  13   7.839  -5.585  -2.742
   91    HD3  PRO  13          1HD       PRO  13   7.776  -6.624  -1.306
   92    H    ASN  14           H        ASN  14   8.300  -2.158  -0.943
   93    HA   ASN  14           HA       ASN  14  10.622  -0.905  -2.269
   94    HB2  ASN  14          2HB       ASN  14   7.663  -0.270  -2.435
   95    HB3  ASN  14          1HB       ASN  14   8.917   0.621  -3.274
   96   HD21  ASN  14          1HD2      ASN  14   7.972   0.159  -5.256
   97   HD22  ASN  14          2HD2      ASN  14   8.042  -1.394  -5.988
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1   8.711  -1.256  -0.002
    2    HA2  GLY   1          2HA       GLY   1   8.607  -0.153   2.079
    3    HA3  GLY   1          1HA       GLY   1   9.741   1.055   1.470
    4    H    PHE   2           H        PHE   2   6.562  -0.265   0.735
    5    HA   PHE   2           HA       PHE   2   5.350   2.304   0.720
    6    HB2  PHE   2          2HB       PHE   2   6.404   2.361  -1.514
    7    HB3  PHE   2          1HB       PHE   2   5.622   0.841  -1.921
    8    HD1  PHE   2          1HD       PHE   2   4.909   4.363  -0.976
    9    HD2  PHE   2          2HD       PHE   2   3.489   0.832  -2.884
   10    HE1  PHE   2          1HE       PHE   2   2.965   5.602  -1.822
   11    HE2  PHE   2          2HE       PHE   2   1.548   2.063  -3.724
   12    HZ   PHE   2           HZ       PHE   2   1.281   4.455  -3.199
   13    H    CYS   3           H        CYS   3   3.468   1.881   1.624
   14    HA   CYS   3           HA       CYS   3   2.109  -0.604   0.899
   15    HB2  CYS   3          2HB       CYS   3   1.944   0.979   3.475
   16    HB3  CYS   3          1HB       CYS   3   0.924  -0.400   3.088
   17    H    HIS   4           H        HIS   4   0.310  -0.403  -0.136
   18    HA   HIS   4           HA       HIS   4  -0.721   2.272  -0.680
   19    HB2  HIS   4          2HB       HIS   4  -0.300   0.761  -2.580
   20    HB3  HIS   4          1HB       HIS   4  -1.415  -0.418  -1.901
   21    HD1  HIS   4          1HD       HIS   4  -3.762  -0.278  -2.816
   22    HD2  HIS   4          2HD       HIS   4  -1.640   3.272  -3.272
   23    HE1  HIS   4          1HE       HIS   4  -5.223   1.231  -4.214
   24    H    ARG   5           H        ARG   5  -2.590   3.012   0.176
   25    HA   ARG   5           HA       ARG   5  -3.900   1.299   2.062
   26    HB2  ARG   5          2HB       ARG   5  -3.504   3.696   2.584
   27    HB3  ARG   5          1HB       ARG   5  -4.645   4.129   1.318
   28    HG2  ARG   5          2HG       ARG   5  -6.450   3.074   2.492
   29    HG3  ARG   5          1HG       ARG   5  -5.345   2.435   3.707
   30    HD2  ARG   5          2HD       ARG   5  -4.770   4.772   4.324
   31    HD3  ARG   5          1HD       ARG   5  -6.010   5.333   3.203
   32    HE   ARG   5           HE       ARG   5  -7.360   3.614   4.734
   33   HH11  ARG   5          1HH1      ARG   5  -5.305   6.393   5.556
   34   HH12  ARG   5          2HH1      ARG   5  -6.034   6.653   7.060
   35   HH21  ARG   5          1HH2      ARG   5  -8.385   4.027   6.803
   36   HH22  ARG   5          2HH2      ARG   5  -7.831   5.297   7.786
   37    H    SER   6           H        SER   6  -4.759  -0.234   0.904
   38    HA   SER   6           HA       SER   6  -7.269   0.379  -0.417
   39    HB2  SER   6          2HB       SER   6  -6.652  -1.563  -1.962
   40    HB3  SER   6          1HB       SER   6  -5.773  -0.059  -2.227
   41    HG   SER   6           HG       SER   6  -4.865  -2.483  -1.087
   42    H    TYR   7           H        TYR   7  -8.191  -2.177  -0.691
   43    HA   TYR   7           HA       TYR   7  -7.515  -3.473   1.805
   44    HB2  TYR   7          2HB       TYR   7  -9.692  -2.334   2.129
   45    HB3  TYR   7          1HB       TYR   7 -10.344  -3.220   0.751
   46    HD1  TYR   7          1HD       TYR   7 -11.257  -5.360   1.042
   47    HD2  TYR   7          2HD       TYR   7  -8.874  -3.691   4.133
   48    HE1  TYR   7          1HE       TYR   7 -11.844  -7.236   2.495
   49    HE2  TYR   7          2HE       TYR   7  -9.459  -5.563   5.603
   50    HH   TYR   7           HH       TYR   7 -10.951  -8.379   4.427
   51    HA   PRO   8           HA       PRO   8  -6.791  -5.111   2.536
   52    HB2  PRO   8          2HB       PRO   8  -4.643  -6.832   1.561
   53    HB3  PRO   8          1HB       PRO   8  -5.787  -7.132   2.870
   54    HG2  PRO   8          2HG       PRO   8  -5.863  -8.524   0.558
   55    HG3  PRO   8          1HG       PRO   8  -7.328  -8.131   1.474
   56    HD2  PRO   8          2HD       PRO   8  -6.186  -6.753  -0.933
   57    HD3  PRO   8          1HD       PRO   8  -7.866  -7.235  -0.609
   58    HA   PRO   9           HA       PRO   9  -3.620  -2.132   1.421
   59    HB2  PRO   9          2HB       PRO   9  -2.083  -2.230   3.709
   60    HB3  PRO   9          1HB       PRO   9  -3.578  -1.301   3.578
   61    HG2  PRO   9          2HG       PRO   9  -3.109  -3.978   4.806
   62    HG3  PRO   9          1HG       PRO   9  -4.162  -2.665   5.354
   63    HD2  PRO   9          2HD       PRO   9  -5.105  -4.860   4.078
   64    HD3  PRO   9          1HD       PRO   9  -5.862  -3.265   3.917
   65    H    GLU  10           H        GLU  10  -2.123  -2.672   0.001
   66    HA   GLU  10           HA       GLU  10  -0.597  -5.112   0.451
   67    HB2  GLU  10          2HB       GLU  10  -1.921  -4.797  -1.674
   68    HB3  GLU  10          1HB       GLU  10  -0.817  -3.495  -2.094
   69    HG2  GLU  10          2HG       GLU  10  -0.220  -5.572  -3.216
   70    HG3  GLU  10          1HG       GLU  10   1.047  -5.056  -2.101
   71    H    CYS  11           H        CYS  11   1.566  -5.099   0.607
   72    HA   CYS  11           HA       CYS  11   2.901  -2.499   0.551
   73    HB2  CYS  11          2HB       CYS  11   3.357  -4.821   2.433
   74    HB3  CYS  11          1HB       CYS  11   4.386  -3.402   2.341
   75    H    TRP  12           H        TRP  12   4.964  -2.433  -0.233
   76    HA   TRP  12           HA       TRP  12   5.844  -4.783  -1.756
   77    HB2  TRP  12          2HB       TRP  12   6.011  -1.837  -2.407
   78    HB3  TRP  12          1HB       TRP  12   6.982  -3.042  -3.241
   79    HD1  TRP  12           HD       TRP  12   5.840  -4.421  -5.122
   80    HE1  TRP  12          1HE       TRP  12   3.532  -4.359  -6.238
   81    HE3  TRP  12          3HE       TRP  12   3.437  -1.338  -1.838
   82    HZ2  TRP  12          2HZ       TRP  12   0.995  -3.151  -5.776
   83    HZ3  TRP  12          3HZ       TRP  12   1.090  -0.783  -2.248
   84    HH2  TRP  12           HH       TRP  12  -0.106  -1.673  -4.184
   85    HA   PRO  13           HA       PRO  13   9.589  -4.828   0.677
   86    HB2  PRO  13          2HB       PRO  13  11.042  -5.180  -1.895
   87    HB3  PRO  13          1HB       PRO  13  11.078  -6.176  -0.437
   88    HG2  PRO  13          2HG       PRO  13   9.769  -6.999  -2.604
   89    HG3  PRO  13          1HG       PRO  13   9.123  -7.289  -0.981
   90    HD2  PRO  13          2HD       PRO  13   8.273  -5.280  -3.023
   91    HD3  PRO  13          1HD       PRO  13   7.300  -6.208  -1.868
   92    H    ASN  14           H        ASN  14   9.284  -2.844  -2.089
   93    HA   ASN  14           HA       ASN  14  11.548  -1.188  -2.050
   94    HB2  ASN  14          2HB       ASN  14   8.741  -0.303  -2.754
   95    HB3  ASN  14          1HB       ASN  14  10.249   0.379  -3.338
   96   HD21  ASN  14          1HD2      ASN  14  11.360  -0.709  -4.974
   97   HD22  ASN  14          2HD2      ASN  14  10.627  -1.991  -5.874
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1   8.398  -1.191   0.454
    2    HA2  GLY   1          2HA       GLY   1   8.581  -0.447   2.893
    3    HA3  GLY   1          1HA       GLY   1   9.419   0.936   2.210
    4    H    PHE   2           H        PHE   2   7.559   0.918  -0.152
    5    HA   PHE   2           HA       PHE   2   5.531   2.464   1.215
    6    HB2  PHE   2          2HB       PHE   2   4.935   3.391  -1.004
    7    HB3  PHE   2          1HB       PHE   2   6.624   3.629  -0.599
    8    HD1  PHE   2          1HD       PHE   2   8.373   2.382  -1.814
    9    HD2  PHE   2          2HD       PHE   2   4.259   2.060  -2.871
   10    HE1  PHE   2          1HE       PHE   2   9.003   1.432  -3.985
   11    HE2  PHE   2          2HE       PHE   2   4.890   1.108  -5.038
   12    HZ   PHE   2           HZ       PHE   2   7.263   0.791  -5.601
   13    H    CYS   3           H        CYS   3   3.387   2.164   1.164
   14    HA   CYS   3           HA       CYS   3   2.405  -0.305  -0.087
   15    HB2  CYS   3          2HB       CYS   3   1.523   0.725   2.601
   16    HB3  CYS   3          1HB       CYS   3   1.112  -0.809   1.868
   17    H    HIS   4           H        HIS   4   0.381  -0.039  -1.036
   18    HA   HIS   4           HA       HIS   4  -0.740   2.628  -0.866
   19    HB2  HIS   4          2HB       HIS   4  -1.225   0.340  -2.772
   20    HB3  HIS   4          1HB       HIS   4  -2.288   1.748  -2.725
   21    HD1  HIS   4          1HD       HIS   4  -0.674   1.067  -5.270
   22    HD2  HIS   4          2HD       HIS   4   0.586   3.670  -2.295
   23    HE1  HIS   4          1HE       HIS   4   0.984   2.636  -6.369
   24    H    ARG   5           H        ARG   5  -2.723   3.031  -0.092
   25    HA   ARG   5           HA       ARG   5  -3.491   1.123   1.886
   26    HB2  ARG   5          2HB       ARG   5  -4.420   3.933   1.426
   27    HB3  ARG   5          1HB       ARG   5  -5.001   2.906   2.732
   28    HG2  ARG   5          2HG       ARG   5  -2.699   2.723   3.575
   29    HG3  ARG   5          1HG       ARG   5  -2.165   3.795   2.284
   30    HD2  ARG   5          2HD       ARG   5  -2.453   4.996   4.383
   31    HD3  ARG   5          1HD       ARG   5  -3.581   5.574   3.161
   32    HE   ARG   5           HE       ARG   5  -5.206   4.004   4.305
   33   HH11  ARG   5          1HH1      ARG   5  -2.600   5.642   6.079
   34   HH12  ARG   5          2HH1      ARG   5  -3.476   5.720   7.531
   35   HH21  ARG   5          1HH2      ARG   5  -6.370   4.133   6.289
   36   HH22  ARG   5          2HH2      ARG   5  -5.680   4.860   7.669
   37    H    SER   6           H        SER   6  -4.307  -0.434   0.587
   38    HA   SER   6           HA       SER   6  -7.149  -0.041  -0.003
   39    HB2  SER   6          2HB       SER   6  -6.838  -2.223  -1.321
   40    HB3  SER   6          1HB       SER   6  -6.029  -0.814  -2.006
   41    HG   SER   6           HG       SER   6  -4.970  -3.082  -0.759
   42    H    TYR   7           H        TYR   7  -8.049  -2.656   0.412
   43    HA   TYR   7           HA       TYR   7  -6.752  -3.555   2.843
   44    HB2  TYR   7          2HB       TYR   7  -8.581  -1.881   3.431
   45    HB3  TYR   7          1HB       TYR   7  -9.728  -3.068   2.816
   46    HD1  TYR   7          1HD       TYR   7  -7.140  -2.463   5.372
   47    HD2  TYR   7          2HD       TYR   7 -10.396  -4.909   4.157
   48    HE1  TYR   7          1HE       TYR   7  -7.123  -3.551   7.553
   49    HE2  TYR   7          2HE       TYR   7 -10.393  -6.003   6.339
   50    HH   TYR   7           HH       TYR   7  -8.708  -6.418   8.154
   51    HA   PRO   8           HA       PRO   8  -5.762  -5.392   3.357
   52    HB2  PRO   8          2HB       PRO   8  -4.543  -7.189   1.344
   53    HB3  PRO   8          1HB       PRO   8  -4.609  -7.366   3.099
   54    HG2  PRO   8          2HG       PRO   8  -6.100  -8.914   1.545
   55    HG3  PRO   8          1HG       PRO   8  -6.759  -8.257   3.057
   56    HD2  PRO   8          2HD       PRO   8  -7.160  -7.286   0.247
   57    HD3  PRO   8          1HD       PRO   8  -8.367  -7.550   1.524
   58    HA   PRO   9           HA       PRO   9  -3.737  -2.336   0.872
   59    HB2  PRO   9          2HB       PRO   9  -1.473  -2.026   2.352
   60    HB3  PRO   9          1HB       PRO   9  -3.040  -1.354   2.818
   61    HG2  PRO   9          2HG       PRO   9  -1.687  -3.844   3.766
   62    HG3  PRO   9          1HG       PRO   9  -2.585  -2.629   4.695
   63    HD2  PRO   9          2HD       PRO   9  -3.669  -4.997   3.977
   64    HD3  PRO   9          1HD       PRO   9  -4.628  -3.510   4.118
   65    H    GLU  10           H        GLU  10  -2.606  -2.501  -0.895
   66    HA   GLU  10           HA       GLU  10  -0.911  -4.778  -1.354
   67    HB2  GLU  10          2HB       GLU  10  -2.485  -3.997  -3.086
   68    HB3  GLU  10          1HB       GLU  10  -1.669  -2.445  -3.114
   69    HG2  GLU  10          2HG       GLU  10   0.216  -3.318  -4.163
   70    HG3  GLU  10          1HG       GLU  10  -0.217  -4.983  -3.781
   71    H    CYS  11           H        CYS  11   1.155  -4.715  -0.773
   72    HA   CYS  11           HA       CYS  11   2.438  -2.105  -0.732
   73    HB2  CYS  11          2HB       CYS  11   1.737  -2.813   1.557
   74    HB3  CYS  11          1HB       CYS  11   2.742  -4.243   1.380
   75    H    TRP  12           H        TRP  12   4.724  -2.170  -0.837
   76    HA   TRP  12           HA       TRP  12   5.744  -4.528  -2.209
   77    HB2  TRP  12          2HB       TRP  12   6.365  -1.588  -2.623
   78    HB3  TRP  12          1HB       TRP  12   7.300  -2.893  -3.342
   79    HD1  TRP  12           HD       TRP  12   6.361  -3.968  -5.544
   80    HE1  TRP  12          1HE       TRP  12   4.308  -3.537  -7.022
   81    HE3  TRP  12          3HE       TRP  12   3.776  -0.788  -2.477
   82    HZ2  TRP  12          2HZ       TRP  12   1.927  -2.068  -6.919
   83    HZ3  TRP  12          3HZ       TRP  12   1.613   0.077  -3.256
   84    HH2  TRP  12           HH       TRP  12   0.717  -0.547  -5.425
   85    HA   PRO  13           HA       PRO  13   8.567  -4.859   1.261
   86    HB2  PRO  13          2HB       PRO  13  10.513  -5.900  -0.724
   87    HB3  PRO  13          1HB       PRO  13   9.909  -6.652   0.755
   88    HG2  PRO  13          2HG       PRO  13   9.066  -7.511  -1.606
   89    HG3  PRO  13          1HG       PRO  13   7.935  -7.355  -0.251
   90    HD2  PRO  13          2HD       PRO  13   8.347  -5.539  -2.591
   91    HD3  PRO  13          1HD       PRO  13   6.836  -6.101  -1.845
   92    H    ASN  14           H        ASN  14   9.107  -2.844  -1.307
   93    HA   ASN  14           HA       ASN  14  11.676  -1.794  -0.674
   94    HB2  ASN  14          2HB       ASN  14  10.641  -1.384  -2.856
   95    HB3  ASN  14          1HB       ASN  14   9.329  -0.500  -2.087
   96   HD21  ASN  14          1HD2      ASN  14  12.645  -0.395  -3.103
   97   HD22  ASN  14          2HD2      ASN  14  12.865   1.288  -2.827
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1   8.417  -1.357   0.173
    2    HA2  GLY   1          2HA       GLY   1   8.307  -0.799   2.460
    3    HA3  GLY   1          1HA       GLY   1   9.442   0.524   2.158
    4    H    PHE   2           H        PHE   2   6.515  -0.395   0.459
    5    HA   PHE   2           HA       PHE   2   5.312   2.123   1.246
    6    HB2  PHE   2          2HB       PHE   2   6.448   2.428  -0.973
    7    HB3  PHE   2          1HB       PHE   2   5.449   1.132  -1.617
    8    HD1  PHE   2          1HD       PHE   2   5.560   4.597  -0.573
    9    HD2  PHE   2          2HD       PHE   2   3.042   1.487  -1.973
   10    HE1  PHE   2          1HE       PHE   2   3.829   6.247  -1.106
   11    HE2  PHE   2          2HE       PHE   2   1.296   3.127  -2.515
   12    HZ   PHE   2           HZ       PHE   2   1.683   5.514  -2.079
   13    H    CYS   3           H        CYS   3   3.251   1.852   1.705
   14    HA   CYS   3           HA       CYS   3   1.993  -0.679   0.947
   15    HB2  CYS   3          2HB       CYS   3   1.542   1.028   3.394
   16    HB3  CYS   3          1HB       CYS   3   0.534  -0.341   2.946
   17    H    HIS   4           H        HIS   4   0.541  -0.485  -0.499
   18    HA   HIS   4           HA       HIS   4  -0.601   1.991  -1.302
   19    HB2  HIS   4          2HB       HIS   4  -0.267   0.058  -2.837
   20    HB3  HIS   4          1HB       HIS   4  -1.460  -0.848  -1.920
   21    HD1  HIS   4          1HD       HIS   4  -3.861  -0.616  -2.691
   22    HD2  HIS   4          2HD       HIS   4  -1.386   2.415  -4.085
   23    HE1  HIS   4          1HE       HIS   4  -5.244   0.712  -4.338
   24    H    ARG   5           H        ARG   5  -2.486   2.891  -0.644
   25    HA   ARG   5           HA       ARG   5  -3.713   1.699   1.660
   26    HB2  ARG   5          2HB       ARG   5  -4.448   4.273   0.264
   27    HB3  ARG   5          1HB       ARG   5  -5.012   3.756   1.844
   28    HG2  ARG   5          2HG       ARG   5  -2.185   4.462   1.085
   29    HG3  ARG   5          1HG       ARG   5  -3.284   5.404   2.088
   30    HD2  ARG   5          2HD       ARG   5  -3.245   3.689   3.799
   31    HD3  ARG   5          1HD       ARG   5  -2.257   2.648   2.769
   32    HE   ARG   5           HE       ARG   5  -1.159   5.243   3.262
   33   HH11  ARG   5          1HH1      ARG   5  -1.341   1.957   4.598
   34   HH12  ARG   5          2HH1      ARG   5   0.203   2.043   5.320
   35   HH21  ARG   5          1HH2      ARG   5   0.943   5.297   4.243
   36   HH22  ARG   5          2HH2      ARG   5   1.527   3.939   5.096
   37    H    SER   6           H        SER   6  -4.595  -0.080   0.883
   38    HA   SER   6           HA       SER   6  -7.214   0.264  -0.284
   39    HB2  SER   6          2HB       SER   6  -6.746  -1.789  -1.726
   40    HB3  SER   6          1HB       SER   6  -5.951  -0.304  -2.243
   41    HG   SER   6           HG       SER   6  -4.838  -2.549  -0.916
   42    H    TYR   7           H        TYR   7  -8.196  -2.154  -0.171
   43    HA   TYR   7           HA       TYR   7  -7.184  -3.369   2.261
   44    HB2  TYR   7          2HB       TYR   7  -9.290  -2.159   2.774
   45    HB3  TYR   7          1HB       TYR   7 -10.113  -3.072   1.514
   46    HD1  TYR   7          1HD       TYR   7 -10.895  -5.302   1.920
   47    HD2  TYR   7          2HD       TYR   7  -8.463  -3.332   4.794
   48    HE1  TYR   7          1HE       TYR   7 -11.363  -7.086   3.526
   49    HE2  TYR   7          2HE       TYR   7  -8.928  -5.108   6.409
   50    HH   TYR   7           HH       TYR   7 -10.653  -6.793   6.819
   51    HA   PRO   8           HA       PRO   8  -6.305  -5.045   2.881
   52    HB2  PRO   8          2HB       PRO   8  -4.364  -6.785   1.546
   53    HB3  PRO   8          1HB       PRO   8  -5.250  -7.065   3.046
   54    HG2  PRO   8          2HG       PRO   8  -5.778  -8.474   0.819
   55    HG3  PRO   8          1HG       PRO   8  -7.056  -8.012   1.957
   56    HD2  PRO   8          2HD       PRO   8  -6.267  -6.692  -0.622
   57    HD3  PRO   8          1HD       PRO   8  -7.888  -7.152  -0.052
   58    HA   PRO   9           HA       PRO   9  -3.329  -2.131   1.313
   59    HB2  PRO   9          2HB       PRO   9  -1.505  -2.098   3.342
   60    HB3  PRO   9          1HB       PRO   9  -3.082  -1.311   3.454
   61    HG2  PRO   9          2HG       PRO   9  -2.182  -3.922   4.575
   62    HG3  PRO   9          1HG       PRO   9  -3.266  -2.713   5.282
   63    HD2  PRO   9          2HD       PRO   9  -4.121  -5.022   4.076
   64    HD3  PRO   9          1HD       PRO   9  -5.097  -3.543   4.185
   65    H    GLU  10           H        GLU  10  -2.184  -2.750  -0.353
   66    HA   GLU  10           HA       GLU  10  -0.448  -5.004  -0.256
   67    HB2  GLU  10          2HB       GLU  10  -1.183  -3.058  -2.409
   68    HB3  GLU  10          1HB       GLU  10   0.151  -4.181  -2.628
   69    HG2  GLU  10          2HG       GLU  10  -2.668  -4.979  -1.953
   70    HG3  GLU  10          1HG       GLU  10  -1.963  -5.002  -3.573
   71    H    CYS  11           H        CYS  11   1.366  -4.873   0.742
   72    HA   CYS  11           HA       CYS  11   2.940  -2.420   0.533
   73    HB2  CYS  11          2HB       CYS  11   3.201  -4.702   2.508
   74    HB3  CYS  11          1HB       CYS  11   4.117  -3.203   2.516
   75    H    TRP  12           H        TRP  12   4.561  -2.503  -0.790
   76    HA   TRP  12           HA       TRP  12   5.622  -5.120  -1.439
   77    HB2  TRP  12          2HB       TRP  12   6.531  -3.909  -3.566
   78    HB3  TRP  12          1HB       TRP  12   4.833  -4.333  -3.492
   79    HD1  TRP  12           HD       TRP  12   7.156  -1.285  -3.324
   80    HE1  TRP  12          1HE       TRP  12   5.767   0.818  -3.941
   81    HE3  TRP  12          3HE       TRP  12   2.528  -3.402  -3.541
   82    HZ2  TRP  12          2HZ       TRP  12   3.085   1.457  -4.466
   83    HZ3  TRP  12          3HZ       TRP  12   0.605  -1.986  -4.118
   84    HH2  TRP  12           HH       TRP  12   0.890   0.400  -4.573
   85    HA   PRO  13           HA       PRO  13   9.516  -4.722   0.375
   86    HB2  PRO  13          2HB       PRO  13  10.859  -4.922  -2.269
   87    HB3  PRO  13          1HB       PRO  13  11.112  -5.873  -0.802
   88    HG2  PRO  13          2HG       PRO  13   9.751  -6.921  -2.793
   89    HG3  PRO  13          1HG       PRO  13   9.176  -7.126  -1.127
   90    HD2  PRO  13          2HD       PRO  13   8.193  -5.276  -3.252
   91    HD3  PRO  13          1HD       PRO  13   7.269  -6.252  -2.089
   92    H    ASN  14           H        ASN  14   8.912  -2.453  -2.122
   93    HA   ASN  14           HA       ASN  14  11.118  -0.712  -1.889
   94    HB2  ASN  14          2HB       ASN  14   9.280  -0.407  -3.570
   95    HB3  ASN  14          1HB       ASN  14   8.208   0.040  -2.249
   96   HD21  ASN  14          1HD2      ASN  14  10.843   1.063  -4.240
   97   HD22  ASN  14          2HD2      ASN  14  10.809   2.721  -3.754
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1   8.648  -1.201   0.032
    2    HA2  GLY   1          2HA       GLY   1   8.308  -0.282   2.174
    3    HA3  GLY   1          1HA       GLY   1   9.429   1.023   1.768
    4    H    PHE   2           H        PHE   2   6.298  -0.356   0.969
    5    HA   PHE   2           HA       PHE   2   5.058   2.184   0.854
    6    HB2  PHE   2          2HB       PHE   2   6.300   2.157  -1.357
    7    HB3  PHE   2          1HB       PHE   2   5.339   0.760  -1.809
    8    HD1  PHE   2          1HD       PHE   2   2.930   1.012  -2.272
    9    HD2  PHE   2          2HD       PHE   2   5.381   4.361  -1.359
   10    HE1  PHE   2          1HE       PHE   2   1.193   2.517  -3.154
   11    HE2  PHE   2          2HE       PHE   2   3.651   5.874  -2.234
   12    HZ   PHE   2           HZ       PHE   2   1.549   4.948  -3.132
   13    H    CYS   3           H        CYS   3   3.281   1.548   1.882
   14    HA   CYS   3           HA       CYS   3   1.906  -0.846   0.946
   15    HB2  CYS   3          2HB       CYS   3   1.595   0.739   3.511
   16    HB3  CYS   3          1HB       CYS   3   0.549  -0.597   3.043
   17    H    HIS   4           H        HIS   4   0.387  -0.531  -0.418
   18    HA   HIS   4           HA       HIS   4  -0.597   2.049  -1.110
   19    HB2  HIS   4          2HB       HIS   4  -0.416   0.235  -2.775
   20    HB3  HIS   4          1HB       HIS   4  -1.606  -0.708  -1.890
   21    HD1  HIS   4          1HD       HIS   4  -3.901  -0.534  -2.851
   22    HD2  HIS   4          2HD       HIS   4  -1.596   2.822  -3.663
   23    HE1  HIS   4          1HE       HIS   4  -5.325   0.948  -4.326
   24    H    ARG   5           H        ARG   5  -2.477   3.022  -0.538
   25    HA   ARG   5           HA       ARG   5  -3.739   2.093   1.843
   26    HB2  ARG   5          2HB       ARG   5  -3.328   4.503   1.371
   27    HB3  ARG   5          1HB       ARG   5  -4.513   4.432   0.081
   28    HG2  ARG   5          2HG       ARG   5  -5.570   5.406   1.977
   29    HG3  ARG   5          1HG       ARG   5  -6.213   3.773   1.808
   30    HD2  ARG   5          2HD       ARG   5  -5.729   4.210   4.132
   31    HD3  ARG   5          1HD       ARG   5  -4.611   2.995   3.523
   32    HE   ARG   5           HE       ARG   5  -3.890   5.837   3.736
   33   HH11  ARG   5          1HH1      ARG   5  -3.067   2.433   4.326
   34   HH12  ARG   5          2HH1      ARG   5  -1.585   2.776   5.071
   35   HH21  ARG   5          1HH2      ARG   5  -1.840   6.295   4.771
   36   HH22  ARG   5          2HH2      ARG   5  -0.859   5.022   5.323
   37    H    SER   6           H        SER   6  -4.573   0.141   1.163
   38    HA   SER   6           HA       SER   6  -7.207   0.351   0.005
   39    HB2  SER   6          2HB       SER   6  -6.678  -1.749  -1.376
   40    HB3  SER   6          1HB       SER   6  -5.997  -0.230  -1.959
   41    HG   SER   6           HG       SER   6  -4.663  -2.354  -1.629
   42    H    TYR   7           H        TYR   7  -8.204  -2.032   0.178
   43    HA   TYR   7           HA       TYR   7  -7.051  -3.482   2.365
   44    HB2  TYR   7          2HB       TYR   7  -8.705  -2.046   3.487
   45    HB3  TYR   7          1HB       TYR   7  -9.956  -2.612   2.383
   46    HD1  TYR   7          1HD       TYR   7  -7.405  -4.031   4.703
   47    HD2  TYR   7          2HD       TYR   7 -11.348  -4.318   3.153
   48    HE1  TYR   7          1HE       TYR   7  -7.841  -5.903   6.198
   49    HE2  TYR   7          2HE       TYR   7 -11.803  -6.198   4.653
   50    HH   TYR   7           HH       TYR   7  -9.737  -6.973   7.238
   51    HA   PRO   8           HA       PRO   8  -6.391  -5.385   2.741
   52    HB2  PRO   8          2HB       PRO   8  -5.083  -7.070   0.721
   53    HB3  PRO   8          1HB       PRO   8  -5.503  -7.455   2.391
   54    HG2  PRO   8          2HG       PRO   8  -6.830  -8.558   0.352
   55    HG3  PRO   8          1HG       PRO   8  -7.664  -8.079   1.841
   56    HD2  PRO   8          2HD       PRO   8  -7.504  -6.624  -0.775
   57    HD3  PRO   8          1HD       PRO   8  -8.924  -6.928   0.251
   58    HA   PRO   9           HA       PRO   9  -3.697  -2.461   0.673
   59    HB2  PRO   9          2HB       PRO   9  -1.891  -2.128   2.656
   60    HB3  PRO   9          1HB       PRO   9  -3.511  -1.425   2.715
   61    HG2  PRO   9          2HG       PRO   9  -2.450  -3.861   4.057
   62    HG3  PRO   9          1HG       PRO   9  -3.561  -2.633   4.691
   63    HD2  PRO   9          2HD       PRO   9  -4.334  -5.083   3.726
   64    HD3  PRO   9          1HD       PRO   9  -5.385  -3.651   3.761
   65    H    GLU  10           H        GLU  10  -1.893  -2.626  -0.528
   66    HA   GLU  10           HA       GLU  10  -0.391  -5.119  -0.289
   67    HB2  GLU  10          2HB       GLU  10  -0.686  -3.202  -2.575
   68    HB3  GLU  10          1HB       GLU  10   0.456  -4.534  -2.574
   69    HG2  GLU  10          2HG       GLU  10  -1.426  -6.088  -2.273
   70    HG3  GLU  10          1HG       GLU  10  -2.534  -4.722  -2.399
   71    H    CYS  11           H        CYS  11   1.628  -5.119   0.345
   72    HA   CYS  11           HA       CYS  11   3.005  -2.544   0.507
   73    HB2  CYS  11          2HB       CYS  11   3.264  -4.967   2.300
   74    HB3  CYS  11          1HB       CYS  11   4.202  -3.491   2.443
   75    H    TRP  12           H        TRP  12   4.814  -2.403  -0.613
   76    HA   TRP  12           HA       TRP  12   5.922  -4.880  -1.699
   77    HB2  TRP  12          2HB       TRP  12   6.093  -2.041  -2.729
   78    HB3  TRP  12          1HB       TRP  12   6.990  -3.388  -3.416
   79    HD1  TRP  12           HD       TRP  12   5.583  -5.225  -4.803
   80    HE1  TRP  12          1HE       TRP  12   3.285  -5.095  -5.965
   81    HE3  TRP  12          3HE       TRP  12   3.761  -1.032  -2.528
   82    HZ2  TRP  12          2HZ       TRP  12   1.009  -3.433  -5.917
   83    HZ3  TRP  12          3HZ       TRP  12   1.516  -0.239  -3.147
   84    HH2  TRP  12           HH       TRP  12   0.173  -1.417  -4.802
   85    HA   PRO  13           HA       PRO  13   9.583  -4.722   0.788
   86    HB2  PRO  13          2HB       PRO  13  11.046  -5.087  -1.786
   87    HB3  PRO  13          1HB       PRO  13  11.198  -5.981  -0.271
   88    HG2  PRO  13          2HG       PRO  13   9.877  -7.058  -2.278
   89    HG3  PRO  13          1HG       PRO  13   9.233  -7.182  -0.629
   90    HD2  PRO  13          2HD       PRO  13   8.349  -5.416  -2.878
   91    HD3  PRO  13          1HD       PRO  13   7.391  -6.259  -1.644
   92    H    ASN  14           H        ASN  14   9.409  -2.635  -1.978
   93    HA   ASN  14           HA       ASN  14  11.701  -1.028  -1.551
   94    HB2  ASN  14          2HB       ASN  14  10.416  -0.929  -3.652
   95    HB3  ASN  14          1HB       ASN  14   9.022  -0.307  -2.785
   96   HD21  ASN  14          1HD2      ASN  14   8.924   1.533  -4.047
   97   HD22  ASN  14          2HD2      ASN  14  10.066   2.814  -3.938
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   8.649  -1.021   0.186
    2    HA2  GLY   1          2HA       GLY   1   8.899   0.208   2.274
    3    HA3  GLY   1          1HA       GLY   1   9.686   1.478   1.351
    4    H    PHE   2           H        PHE   2   7.276   0.603  -0.645
    5    HA   PHE   2           HA       PHE   2   5.487   2.587   0.557
    6    HB2  PHE   2          2HB       PHE   2   6.478   3.121  -1.712
    7    HB3  PHE   2          1HB       PHE   2   5.585   1.748  -2.352
    8    HD1  PHE   2          1HD       PHE   2   3.276   1.986  -2.990
    9    HD2  PHE   2          2HD       PHE   2   5.202   5.026  -0.687
   10    HE1  PHE   2          1HE       PHE   2   1.367   3.482  -3.335
   11    HE2  PHE   2          2HE       PHE   2   3.278   6.501  -1.029
   12    HZ   PHE   2           HZ       PHE   2   1.357   5.732  -2.354
   13    H    CYS   3           H        CYS   3   3.363   2.124   0.814
   14    HA   CYS   3           HA       CYS   3   2.505  -0.610   0.207
   15    HB2  CYS   3          2HB       CYS   3   1.785   0.924   2.701
   16    HB3  CYS   3          1HB       CYS   3   1.503  -0.781   2.378
   17    H    HIS   4           H        HIS   4   0.119  -0.719   0.027
   18    HA   HIS   4           HA       HIS   4  -1.024   1.866  -0.702
   19    HB2  HIS   4          2HB       HIS   4  -1.612  -0.945  -1.547
   20    HB3  HIS   4          1HB       HIS   4  -2.870   0.286  -1.699
   21    HD1  HIS   4          1HD       HIS   4  -2.264  -0.744  -4.345
   22    HD2  HIS   4          2HD       HIS   4   0.262   2.033  -2.555
   23    HE1  HIS   4          1HE       HIS   4  -1.000   0.331  -6.223
   24    H    ARG   5           H        ARG   5  -2.976   2.542   0.145
   25    HA   ARG   5           HA       ARG   5  -3.623   1.299   2.719
   26    HB2  ARG   5          2HB       ARG   5  -4.223   4.087   1.704
   27    HB3  ARG   5          1HB       ARG   5  -4.650   3.479   3.293
   28    HG2  ARG   5          2HG       ARG   5  -2.289   3.184   3.813
   29    HG3  ARG   5          1HG       ARG   5  -1.860   3.817   2.223
   30    HD2  ARG   5          2HD       ARG   5  -3.033   5.932   2.836
   31    HD3  ARG   5          1HD       ARG   5  -3.268   5.269   4.456
   32    HE   ARG   5           HE       ARG   5  -0.569   5.094   3.806
   33   HH11  ARG   5          1HH1      ARG   5  -2.961   7.595   4.586
   34   HH12  ARG   5          2HH1      ARG   5  -1.808   8.722   5.119
   35   HH21  ARG   5          1HH2      ARG   5   1.019   6.659   4.536
   36   HH22  ARG   5          2HH2      ARG   5   0.507   8.183   5.076
   37    H    SER   6           H        SER   6  -4.556   0.524   0.007
   38    HA   SER   6           HA       SER   6  -7.397   0.905   0.139
   39    HB2  SER   6          2HB       SER   6  -7.014  -0.765  -1.891
   40    HB3  SER   6          1HB       SER   6  -6.638   0.957  -2.058
   41    HG   SER   6           HG       SER   6  -5.036  -1.022  -2.446
   42    H    TYR   7           H        TYR   7  -8.311  -1.677  -0.564
   43    HA   TYR   7           HA       TYR   7  -7.196  -3.335   1.549
   44    HB2  TYR   7          2HB       TYR   7  -9.214  -2.305   2.468
   45    HB3  TYR   7          1HB       TYR   7 -10.155  -2.887   1.104
   46    HD1  TYR   7          1HD       TYR   7 -11.062  -5.098   1.113
   47    HD2  TYR   7          2HD       TYR   7  -8.234  -3.961   4.071
   48    HE1  TYR   7          1HE       TYR   7 -11.542  -7.143   2.344
   49    HE2  TYR   7          2HE       TYR   7  -8.701  -6.006   5.311
   50    HH   TYR   7           HH       TYR   7 -10.398  -8.593   4.017
   51    HA   PRO   8           HA       PRO   8  -6.873  -5.284   2.167
   52    HB2  PRO   8          2HB       PRO   8  -4.933  -7.043   0.845
   53    HB3  PRO   8          1HB       PRO   8  -6.049  -7.410   2.164
   54    HG2  PRO   8          2HG       PRO   8  -6.390  -8.423  -0.297
   55    HG3  PRO   8          1HG       PRO   8  -7.764  -7.979   0.734
   56    HD2  PRO   8          2HD       PRO   8  -6.526  -6.445  -1.530
   57    HD3  PRO   8          1HD       PRO   8  -8.246  -6.745  -1.173
   58    HA   PRO   9           HA       PRO   9  -3.567  -2.432   1.383
   59    HB2  PRO   9          2HB       PRO   9  -2.393  -2.432   3.836
   60    HB3  PRO   9          1HB       PRO   9  -3.920  -1.603   3.501
   61    HG2  PRO   9          2HG       PRO   9  -3.438  -4.229   4.830
   62    HG3  PRO   9          1HG       PRO   9  -4.640  -2.985   5.209
   63    HD2  PRO   9          2HD       PRO   9  -5.196  -5.278   3.811
   64    HD3  PRO   9          1HD       PRO   9  -6.116  -3.773   3.658
   65    H    GLU  10           H        GLU  10  -2.380  -3.592  -0.056
   66    HA   GLU  10           HA       GLU  10  -0.459  -5.480   0.980
   67    HB2  GLU  10          2HB       GLU  10   0.098  -5.902  -1.421
   68    HB3  GLU  10          1HB       GLU  10  -1.571  -6.229  -0.998
   69    HG2  GLU  10          2HG       GLU  10  -2.161  -3.999  -1.970
   70    HG3  GLU  10          1HG       GLU  10  -0.495  -3.884  -2.540
   71    H    CYS  11           H        CYS  11   1.762  -5.265   0.724
   72    HA   CYS  11           HA       CYS  11   2.678  -2.603   0.055
   73    HB2  CYS  11          2HB       CYS  11   2.336  -2.743   2.535
   74    HB3  CYS  11          1HB       CYS  11   3.486  -4.074   2.574
   75    H    TRP  12           H        TRP  12   4.923  -2.556  -0.465
   76    HA   TRP  12           HA       TRP  12   5.850  -5.161  -1.415
   77    HB2  TRP  12          2HB       TRP  12   6.209  -2.420  -2.680
   78    HB3  TRP  12          1HB       TRP  12   6.914  -3.909  -3.294
   79    HD1  TRP  12           HD       TRP  12   5.396  -5.426  -4.800
   80    HE1  TRP  12          1HE       TRP  12   2.971  -5.222  -5.682
   81    HE3  TRP  12          3HE       TRP  12   3.824  -1.446  -2.000
   82    HZ2  TRP  12          2HZ       TRP  12   0.711  -3.590  -5.223
   83    HZ3  TRP  12          3HZ       TRP  12   1.528  -0.643  -2.289
   84    HH2  TRP  12           HH       TRP  12   0.018  -1.700  -3.872
   85    HA   PRO  13           HA       PRO  13   9.527  -4.418   0.938
   86    HB2  PRO  13          2HB       PRO  13  11.219  -5.516  -1.195
   87    HB3  PRO  13          1HB       PRO  13  10.874  -6.178   0.403
   88    HG2  PRO  13          2HG       PRO  13   9.894  -7.306  -1.822
   89    HG3  PRO  13          1HG       PRO  13   8.966  -7.266  -0.311
   90    HD2  PRO  13          2HD       PRO  13   8.731  -5.500  -2.722
   91    HD3  PRO  13          1HD       PRO  13   7.450  -6.288  -1.771
   92    H    ASN  14           H        ASN  14   8.814  -2.430  -1.362
   93    HA   ASN  14           HA       ASN  14  11.450  -1.236  -1.735
   94    HB2  ASN  14          2HB       ASN  14  10.416   0.266  -3.341
   95    HB3  ASN  14          1HB       ASN  14   9.938  -1.377  -3.714
   96   HD21  ASN  14          1HD2      ASN  14   8.730   1.128  -4.429
   97   HD22  ASN  14          2HD2      ASN  14   7.098   1.092  -3.876
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1   8.641  -1.437   0.272
    2    HA2  GLY   1          2HA       GLY   1   8.557  -0.321   2.340
    3    HA3  GLY   1          1HA       GLY   1   9.686   0.872   1.714
    4    H    PHE   2           H        PHE   2   6.648  -0.305   0.340
    5    HA   PHE   2           HA       PHE   2   5.481   2.314   0.773
    6    HB2  PHE   2          2HB       PHE   2   6.608   2.432  -1.447
    7    HB3  PHE   2          1HB       PHE   2   5.677   1.039  -1.972
    8    HD1  PHE   2          1HD       PHE   2   5.208   4.492  -0.634
    9    HD2  PHE   2          2HD       PHE   2   3.696   1.385  -3.110
   10    HE1  PHE   2          1HE       PHE   2   3.438   5.994  -1.430
   11    HE2  PHE   2          2HE       PHE   2   1.913   2.882  -3.904
   12    HZ   PHE   2           HZ       PHE   2   1.783   5.193  -3.063
   13    H    CYS   3           H        CYS   3   3.392   2.159   1.261
   14    HA   CYS   3           HA       CYS   3   2.057  -0.371   0.739
   15    HB2  CYS   3          2HB       CYS   3   1.923   1.375   3.186
   16    HB3  CYS   3          1HB       CYS   3   0.724   0.141   2.819
   17    H    HIS   4           H        HIS   4   0.449  -0.230  -0.474
   18    HA   HIS   4           HA       HIS   4  -0.841   2.266  -1.114
   19    HB2  HIS   4          2HB       HIS   4  -0.369   0.496  -2.831
   20    HB3  HIS   4          1HB       HIS   4  -1.435  -0.581  -1.942
   21    HD1  HIS   4          1HD       HIS   4  -3.949  -0.400  -2.427
   22    HD2  HIS   4          2HD       HIS   4  -1.668   2.599  -4.182
   23    HE1  HIS   4          1HE       HIS   4  -5.482   0.786  -4.031
   24    H    ARG   5           H        ARG   5  -2.538   2.936   0.114
   25    HA   ARG   5           HA       ARG   5  -3.594   1.119   2.073
   26    HB2  ARG   5          2HB       ARG   5  -4.217   4.023   1.584
   27    HB3  ARG   5          1HB       ARG   5  -5.052   3.050   2.784
   28    HG2  ARG   5          2HG       ARG   5  -2.108   3.686   2.724
   29    HG3  ARG   5          1HG       ARG   5  -3.311   4.330   3.845
   30    HD2  ARG   5          2HD       ARG   5  -2.394   1.454   3.624
   31    HD3  ARG   5          1HD       ARG   5  -2.064   2.573   4.928
   32    HE   ARG   5           HE       ARG   5  -4.795   2.461   4.802
   33   HH11  ARG   5          1HH1      ARG   5  -2.200   0.060   5.288
   34   HH12  ARG   5          2HH1      ARG   5  -3.163  -0.932   6.271
   35   HH21  ARG   5          1HH2      ARG   5  -6.080   1.012   6.164
   36   HH22  ARG   5          2HH2      ARG   5  -5.365  -0.422   6.761
   37    H    SER   6           H        SER   6  -4.642  -0.382   1.207
   38    HA   SER   6           HA       SER   6  -7.237   0.223   0.083
   39    HB2  SER   6          2HB       SER   6  -6.729  -1.746  -1.486
   40    HB3  SER   6          1HB       SER   6  -5.978  -0.195  -1.882
   41    HG   SER   6           HG       SER   6  -4.842  -2.572  -0.910
   42    H    TYR   7           H        TYR   7  -8.094  -2.357  -0.204
   43    HA   TYR   7           HA       TYR   7  -7.362  -3.699   2.256
   44    HB2  TYR   7          2HB       TYR   7  -9.443  -2.517   2.723
   45    HB3  TYR   7          1HB       TYR   7 -10.177  -3.174   1.268
   46    HD1  TYR   7          1HD       TYR   7  -8.607  -4.313   4.472
   47    HD2  TYR   7          2HD       TYR   7 -11.519  -5.039   1.454
   48    HE1  TYR   7          1HE       TYR   7  -9.466  -6.203   5.759
   49    HE2  TYR   7          2HE       TYR   7 -12.382  -6.927   2.733
   50    HH   TYR   7           HH       TYR   7 -11.527  -7.492   5.970
   51    HA   PRO   8           HA       PRO   8  -6.244  -5.274   2.671
   52    HB2  PRO   8          2HB       PRO   8  -4.162  -6.775   1.847
   53    HB3  PRO   8          1HB       PRO   8  -5.635  -7.513   2.469
   54    HG2  PRO   8          2HG       PRO   8  -4.785  -7.105  -0.371
   55    HG3  PRO   8          1HG       PRO   8  -5.497  -8.541   0.387
   56    HD2  PRO   8          2HD       PRO   8  -6.959  -6.802  -1.083
   57    HD3  PRO   8          1HD       PRO   8  -7.632  -7.692   0.295
   58    HA   PRO   9           HA       PRO   9  -3.552  -2.070   1.084
   59    HB2  PRO   9          2HB       PRO   9  -1.653  -2.047   3.056
   60    HB3  PRO   9          1HB       PRO   9  -3.244  -1.301   3.235
   61    HG2  PRO   9          2HG       PRO   9  -2.269  -3.945   4.223
   62    HG3  PRO   9          1HG       PRO   9  -3.315  -2.764   5.031
   63    HD2  PRO   9          2HD       PRO   9  -4.276  -5.002   3.838
   64    HD3  PRO   9          1HD       PRO   9  -5.198  -3.487   3.913
   65    H    GLU  10           H        GLU  10  -2.246  -2.393  -0.573
   66    HA   GLU  10           HA       GLU  10  -0.558  -4.716  -0.753
   67    HB2  GLU  10          2HB       GLU  10  -0.840  -2.337  -2.608
   68    HB3  GLU  10          1HB       GLU  10   0.117  -3.760  -2.947
   69    HG2  GLU  10          2HG       GLU  10  -2.866  -3.701  -2.567
   70    HG3  GLU  10          1HG       GLU  10  -2.016  -3.810  -4.108
   71    H    CYS  11           H        CYS  11   1.243  -4.742   0.404
   72    HA   CYS  11           HA       CYS  11   2.844  -2.293   0.488
   73    HB2  CYS  11          2HB       CYS  11   2.712  -4.590   2.426
   74    HB3  CYS  11          1HB       CYS  11   3.915  -3.310   2.495
   75    H    TRP  12           H        TRP  12   4.593  -2.347  -0.618
   76    HA   TRP  12           HA       TRP  12   5.596  -4.954  -1.498
   77    HB2  TRP  12          2HB       TRP  12   6.068  -2.188  -2.635
   78    HB3  TRP  12          1HB       TRP  12   6.759  -3.679  -3.270
   79    HD1  TRP  12           HD       TRP  12   5.043  -5.388  -4.503
   80    HE1  TRP  12          1HE       TRP  12   2.782  -4.966  -5.667
   81    HE3  TRP  12          3HE       TRP  12   3.989  -0.779  -2.571
   82    HZ2  TRP  12          2HZ       TRP  12   0.820  -2.924  -5.754
   83    HZ3  TRP  12          3HZ       TRP  12   1.897   0.337  -3.252
   84    HH2  TRP  12           HH       TRP  12   0.359  -0.723  -4.809
   85    HA   PRO  13           HA       PRO  13   9.188  -4.626   1.087
   86    HB2  PRO  13          2HB       PRO  13  11.100  -5.740  -0.535
   87    HB3  PRO  13          1HB       PRO  13   9.893  -6.673   0.352
   88    HG2  PRO  13          2HG       PRO  13   9.839  -5.759  -2.498
   89    HG3  PRO  13          1HG       PRO  13   9.454  -7.361  -1.840
   90    HD2  PRO  13          2HD       PRO  13   7.501  -5.678  -2.488
   91    HD3  PRO  13          1HD       PRO  13   7.392  -6.648  -1.004
   92    H    ASN  14           H        ASN  14   8.868  -2.861  -1.665
   93    HA   ASN  14           HA       ASN  14  11.361  -1.455  -1.753
   94    HB2  ASN  14          2HB       ASN  14   9.974  -1.515  -3.734
   95    HB3  ASN  14          1HB       ASN  14   8.604  -0.864  -2.848
   96   HD21  ASN  14          1HD2      ASN  14   8.391   1.338  -2.678
   97   HD22  ASN  14          2HD2      ASN  14   9.463   2.473  -3.377
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1   8.631  -1.138  -0.100
    2    HA2  GLY   1          2HA       GLY   1   8.977  -0.291   2.133
    3    HA3  GLY   1          1HA       GLY   1   9.926   1.006   1.435
    4    H    PHE   2           H        PHE   2   6.716  -0.181   0.401
    5    HA   PHE   2           HA       PHE   2   5.433   1.985   1.685
    6    HB2  PHE   2          2HB       PHE   2   4.603   3.160  -0.242
    7    HB3  PHE   2          1HB       PHE   2   6.355   3.137  -0.346
    8    HD1  PHE   2          1HD       PHE   2   3.292   2.498  -2.010
    9    HD2  PHE   2          2HD       PHE   2   7.390   1.361  -1.930
   10    HE1  PHE   2          1HE       PHE   2   3.092   1.637  -4.295
   11    HE2  PHE   2          2HE       PHE   2   7.191   0.494  -4.224
   12    HZ   PHE   2           HZ       PHE   2   5.044   0.633  -5.406
   13    H    CYS   3           H        CYS   3   3.105   1.928   1.290
   14    HA   CYS   3           HA       CYS   3   2.146  -0.670   0.381
   15    HB2  CYS   3          2HB       CYS   3   1.309   0.748   2.927
   16    HB3  CYS   3          1HB       CYS   3   0.675  -0.777   2.330
   17    H    HIS   4           H        HIS   4  -0.089  -0.547  -0.281
   18    HA   HIS   4           HA       HIS   4  -0.840   2.192  -0.952
   19    HB2  HIS   4          2HB       HIS   4  -0.738   0.486  -2.822
   20    HB3  HIS   4          1HB       HIS   4  -2.060  -0.374  -2.055
   21    HD1  HIS   4          1HD       HIS   4  -1.330   2.449  -4.348
   22    HD2  HIS   4          2HD       HIS   4  -4.555   1.045  -2.144
   23    HE1  HIS   4          1HE       HIS   4  -3.358   3.631  -5.245
   24    H    ARG   5           H        ARG   5  -2.841   2.998  -0.311
   25    HA   ARG   5           HA       ARG   5  -3.761   1.813   2.147
   26    HB2  ARG   5          2HB       ARG   5  -4.996   3.918   2.483
   27    HB3  ARG   5          1HB       ARG   5  -3.287   4.154   2.181
   28    HG2  ARG   5          2HG       ARG   5  -3.813   4.765  -0.155
   29    HG3  ARG   5          1HG       ARG   5  -5.528   4.588   0.225
   30    HD2  ARG   5          2HD       ARG   5  -3.624   6.490   1.587
   31    HD3  ARG   5          1HD       ARG   5  -4.786   6.931   0.339
   32    HE   ARG   5           HE       ARG   5  -6.450   5.930   2.050
   33   HH11  ARG   5          1HH1      ARG   5  -3.545   7.705   3.001
   34   HH12  ARG   5          2HH1      ARG   5  -4.304   8.554   4.261
   35   HH21  ARG   5          1HH2      ARG   5  -7.485   7.066   3.838
   36   HH22  ARG   5          2HH2      ARG   5  -6.594   8.153   4.782
   37    H    SER   6           H        SER   6  -4.565   0.379  -0.221
   38    HA   SER   6           HA       SER   6  -7.468   0.635   0.100
   39    HB2  SER   6          2HB       SER   6  -7.666  -0.762  -1.973
   40    HB3  SER   6          1HB       SER   6  -6.835   0.764  -2.263
   41    HG   SER   6           HG       SER   6  -5.629  -0.687  -3.241
   42    H    TYR   7           H        TYR   7  -8.572  -1.648   0.052
   43    HA   TYR   7           HA       TYR   7  -6.980  -3.321   1.849
   44    HB2  TYR   7          2HB       TYR   7  -9.202  -2.321   2.629
   45    HB3  TYR   7          1HB       TYR   7  -9.979  -3.377   1.459
   46    HD1  TYR   7          1HD       TYR   7  -9.888  -5.864   1.794
   47    HD2  TYR   7          2HD       TYR   7  -8.391  -3.139   4.699
   48    HE1  TYR   7          1HE       TYR   7  -9.892  -7.649   3.465
   49    HE2  TYR   7          2HE       TYR   7  -8.395  -4.910   6.373
   50    HH   TYR   7           HH       TYR   7  -9.613  -7.083   6.749
   51    HA   PRO   8           HA       PRO   8  -6.698  -5.365   2.490
   52    HB2  PRO   8          2HB       PRO   8  -4.793  -7.201   1.240
   53    HB3  PRO   8          1HB       PRO   8  -5.986  -7.538   2.498
   54    HG2  PRO   8          2HG       PRO   8  -6.233  -8.521   0.001
   55    HG3  PRO   8          1HG       PRO   8  -7.638  -8.059   0.978
   56    HD2  PRO   8          2HD       PRO   8  -6.269  -6.513  -1.198
   57    HD3  PRO   8          1HD       PRO   8  -8.006  -6.783  -0.939
   58    HA   PRO   9           HA       PRO   9  -3.347  -2.532   1.945
   59    HB2  PRO   9          2HB       PRO   9  -1.745  -3.278   4.075
   60    HB3  PRO   9          1HB       PRO   9  -3.146  -2.206   4.199
   61    HG2  PRO   9          2HG       PRO   9  -2.936  -5.131   4.779
   62    HG3  PRO   9          1HG       PRO   9  -3.822  -3.873   5.659
   63    HD2  PRO   9          2HD       PRO   9  -5.065  -5.585   4.014
   64    HD3  PRO   9          1HD       PRO   9  -5.587  -3.896   4.161
   65    H    GLU  10           H        GLU  10  -2.257  -2.995   0.181
   66    HA   GLU  10           HA       GLU  10  -0.519  -5.286  -0.060
   67    HB2  GLU  10          2HB       GLU  10  -1.219  -2.999  -1.891
   68    HB3  GLU  10          1HB       GLU  10  -0.081  -4.267  -2.309
   69    HG2  GLU  10          2HG       GLU  10  -2.948  -4.761  -1.581
   70    HG3  GLU  10          1HG       GLU  10  -2.365  -4.544  -3.233
   71    H    CYS  11           H        CYS  11   1.520  -5.175   0.583
   72    HA   CYS  11           HA       CYS  11   2.803  -2.558   0.591
   73    HB2  CYS  11          2HB       CYS  11   3.225  -4.887   2.467
   74    HB3  CYS  11          1HB       CYS  11   4.260  -3.464   2.407
   75    H    TRP  12           H        TRP  12   4.807  -2.405  -0.247
   76    HA   TRP  12           HA       TRP  12   5.751  -4.783  -1.655
   77    HB2  TRP  12          2HB       TRP  12   5.849  -1.879  -2.517
   78    HB3  TRP  12          1HB       TRP  12   6.719  -3.170  -3.337
   79    HD1  TRP  12           HD       TRP  12   5.301  -4.843  -4.849
   80    HE1  TRP  12          1HE       TRP  12   2.907  -4.721  -5.819
   81    HE3  TRP  12          3HE       TRP  12   3.455  -1.026  -2.004
   82    HZ2  TRP  12          2HZ       TRP  12   0.566  -3.209  -5.427
   83    HZ3  TRP  12          3HZ       TRP  12   1.140  -0.306  -2.356
   84    HH2  TRP  12           HH       TRP  12  -0.278  -1.380  -4.044
   85    HA   PRO  13           HA       PRO  13   9.464  -4.603   0.799
   86    HB2  PRO  13          2HB       PRO  13  10.790  -5.312  -1.780
   87    HB3  PRO  13          1HB       PRO  13  10.952  -6.072  -0.191
   88    HG2  PRO  13          2HG       PRO  13   9.485  -7.255  -2.028
   89    HG3  PRO  13          1HG       PRO  13   8.893  -7.160  -0.359
   90    HD2  PRO  13          2HD       PRO  13   8.094  -5.548  -2.746
   91    HD3  PRO  13          1HD       PRO  13   7.088  -6.233  -1.460
   92    H    ASN  14           H        ASN  14   9.188  -2.820  -2.143
   93    HA   ASN  14           HA       ASN  14  11.484  -1.222  -2.098
   94    HB2  ASN  14          2HB       ASN  14   9.936  -1.223  -3.969
   95    HB3  ASN  14          1HB       ASN  14   8.670  -0.519  -2.968
   96   HD21  ASN  14          1HD2      ASN  14  11.554   0.068  -4.794
   97   HD22  ASN  14          2HD2      ASN  14  11.484   1.789  -4.716
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1   8.835  -1.120   0.176
    2    HA2  GLY   1          2HA       GLY   1   8.752   0.032   2.187
    3    HA3  GLY   1          1HA       GLY   1   9.713   1.324   1.466
    4    H    PHE   2           H        PHE   2   6.695  -0.226   0.487
    5    HA   PHE   2           HA       PHE   2   5.246   2.196   0.932
    6    HB2  PHE   2          2HB       PHE   2   6.148   2.671  -1.284
    7    HB3  PHE   2          1HB       PHE   2   5.599   1.108  -1.871
    8    HD1  PHE   2          1HD       PHE   2   4.170   4.138  -0.204
    9    HD2  PHE   2          2HD       PHE   2   3.673   1.088  -3.124
   10    HE1  PHE   2          1HE       PHE   2   2.037   5.151  -0.890
   11    HE2  PHE   2          2HE       PHE   2   1.539   2.092  -3.817
   12    HZ   PHE   2           HZ       PHE   2   0.715   4.129  -2.696
   13    H    CYS   3           H        CYS   3   3.284   1.730   1.538
   14    HA   CYS   3           HA       CYS   3   2.121  -0.854   0.798
   15    HB2  CYS   3          2HB       CYS   3   1.677   0.774   3.316
   16    HB3  CYS   3          1HB       CYS   3   0.854  -0.725   2.913
   17    H    HIS   4           H        HIS   4   0.396  -0.638  -0.445
   18    HA   HIS   4           HA       HIS   4  -0.662   2.020  -0.922
   19    HB2  HIS   4          2HB       HIS   4  -0.360   0.364  -2.794
   20    HB3  HIS   4          1HB       HIS   4  -1.643  -0.615  -2.082
   21    HD1  HIS   4          1HD       HIS   4  -4.078   0.150  -2.557
   22    HD2  HIS   4          2HD       HIS   4  -1.168   2.767  -3.972
   23    HE1  HIS   4          1HE       HIS   4  -5.280   1.816  -4.028
   24    H    ARG   5           H        ARG   5  -2.371   2.842   0.063
   25    HA   ARG   5           HA       ARG   5  -3.611   1.205   2.052
   26    HB2  ARG   5          2HB       ARG   5  -3.810   4.168   1.554
   27    HB3  ARG   5          1HB       ARG   5  -4.675   3.321   2.833
   28    HG2  ARG   5          2HG       ARG   5  -2.517   2.575   3.760
   29    HG3  ARG   5          1HG       ARG   5  -1.688   3.506   2.517
   30    HD2  ARG   5          2HD       ARG   5  -3.595   4.653   4.544
   31    HD3  ARG   5          1HD       ARG   5  -1.841   4.661   4.719
   32    HE   ARG   5           HE       ARG   5  -2.150   5.892   2.387
   33   HH11  ARG   5          1HH1      ARG   5  -3.901   6.363   5.435
   34   HH12  ARG   5          2HH1      ARG   5  -4.108   8.037   5.232
   35   HH21  ARG   5          1HH2      ARG   5  -2.404   8.258   2.123
   36   HH22  ARG   5          2HH2      ARG   5  -3.239   9.124   3.298
   37    H    SER   6           H        SER   6  -4.605  -0.111   0.649
   38    HA   SER   6           HA       SER   6  -7.300   0.749  -0.058
   39    HB2  SER   6          2HB       SER   6  -7.037  -1.067  -1.889
   40    HB3  SER   6          1HB       SER   6  -6.221   0.472  -2.177
   41    HG   SER   6           HG       SER   6  -5.169  -2.028  -1.854
   42    H    TYR   7           H        TYR   7  -8.491  -1.649  -0.319
   43    HA   TYR   7           HA       TYR   7  -7.330  -3.272   1.785
   44    HB2  TYR   7          2HB       TYR   7  -9.301  -2.042   2.724
   45    HB3  TYR   7          1HB       TYR   7 -10.321  -2.816   1.513
   46    HD1  TYR   7          1HD       TYR   7  -8.147  -3.466   4.427
   47    HD2  TYR   7          2HD       TYR   7 -11.137  -5.043   1.842
   48    HE1  TYR   7          1HE       TYR   7  -8.381  -5.405   5.893
   49    HE2  TYR   7          2HE       TYR   7 -11.388  -6.984   3.310
   50    HH   TYR   7           HH       TYR   7 -10.015  -8.210   4.957
   51    HA   PRO   8           HA       PRO   8  -6.937  -5.149   2.388
   52    HB2  PRO   8          2HB       PRO   8  -5.198  -7.049   1.040
   53    HB3  PRO   8          1HB       PRO   8  -6.285  -7.311   2.408
   54    HG2  PRO   8          2HG       PRO   8  -6.739  -8.372  -0.042
   55    HG3  PRO   8          1HG       PRO   8  -8.045  -7.911   1.069
   56    HD2  PRO   8          2HD       PRO   8  -6.933  -6.414  -1.278
   57    HD3  PRO   8          1HD       PRO   8  -8.632  -6.680  -0.816
   58    HA   PRO   9           HA       PRO   9  -3.613  -2.453   1.134
   59    HB2  PRO   9          2HB       PRO   9  -2.223  -2.402   3.476
   60    HB3  PRO   9          1HB       PRO   9  -3.719  -1.499   3.230
   61    HG2  PRO   9          2HG       PRO   9  -3.287  -4.107   4.621
   62    HG3  PRO   9          1HG       PRO   9  -4.342  -2.758   5.075
   63    HD2  PRO   9          2HD       PRO   9  -5.259  -5.014   3.870
   64    HD3  PRO   9          1HD       PRO   9  -6.014  -3.425   3.654
   65    H    GLU  10           H        GLU  10  -1.860  -2.896   0.036
   66    HA   GLU  10           HA       GLU  10  -0.378  -5.352   0.625
   67    HB2  GLU  10          2HB       GLU  10  -0.754  -3.823  -1.922
   68    HB3  GLU  10          1HB       GLU  10   0.488  -5.043  -1.726
   69    HG2  GLU  10          2HG       GLU  10  -1.209  -6.719  -1.302
   70    HG3  GLU  10          1HG       GLU  10  -2.473  -5.496  -1.446
   71    H    CYS  11           H        CYS  11   1.771  -5.289   0.890
   72    HA   CYS  11           HA       CYS  11   3.085  -2.672   0.777
   73    HB2  CYS  11          2HB       CYS  11   3.523  -4.925   2.746
   74    HB3  CYS  11          1HB       CYS  11   4.523  -3.480   2.639
   75    H    TRP  12           H        TRP  12   4.912  -2.577  -0.347
   76    HA   TRP  12           HA       TRP  12   5.939  -5.084  -1.481
   77    HB2  TRP  12          2HB       TRP  12   6.050  -2.275  -2.620
   78    HB3  TRP  12          1HB       TRP  12   6.780  -3.694  -3.358
   79    HD1  TRP  12           HD       TRP  12   5.172  -5.329  -4.704
   80    HE1  TRP  12          1HE       TRP  12   2.732  -5.103  -5.525
   81    HE3  TRP  12          3HE       TRP  12   3.770  -1.268  -1.970
   82    HZ2  TRP  12          2HZ       TRP  12   0.525  -3.426  -5.055
   83    HZ3  TRP  12          3HZ       TRP  12   1.498  -0.415  -2.214
   84    HH2  TRP  12           HH       TRP  12  -0.098  -1.484  -3.737
   85    HA   PRO  13           HA       PRO  13   9.860  -4.331   0.609
   86    HB2  PRO  13          2HB       PRO  13  11.149  -5.268  -1.898
   87    HB3  PRO  13          1HB       PRO  13  11.305  -5.894  -0.254
   88    HG2  PRO  13          2HG       PRO  13   9.902  -7.240  -2.051
   89    HG3  PRO  13          1HG       PRO  13   9.313  -7.093  -0.384
   90    HD2  PRO  13          2HD       PRO  13   8.436  -5.596  -2.832
   91    HD3  PRO  13          1HD       PRO  13   7.468  -6.326  -1.535
   92    H    ASN  14           H        ASN  14   8.796  -2.299  -1.465
   93    HA   ASN  14           HA       ASN  14  11.252  -0.836  -2.161
   94    HB2  ASN  14          2HB       ASN  14   9.537  -1.106  -3.907
   95    HB3  ASN  14          1HB       ASN  14   8.334  -0.387  -2.845
   96   HD21  ASN  14          1HD2      ASN  14   7.837   1.242  -4.251
   97   HD22  ASN  14          2HD2      ASN  14   8.922   2.552  -4.574
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1   8.667  -1.619   0.513
    2    HA2  GLY   1          2HA       GLY   1   8.061  -0.654   2.549
    3    HA3  GLY   1          1HA       GLY   1   9.135   0.692   2.205
    4    H    PHE   2           H        PHE   2   7.069  -0.150  -0.339
    5    HA   PHE   2           HA       PHE   2   5.480   2.251   0.224
    6    HB2  PHE   2          2HB       PHE   2   6.698   2.093  -1.980
    7    HB3  PHE   2          1HB       PHE   2   5.702   0.702  -2.377
    8    HD1  PHE   2          1HD       PHE   2   5.786   4.322  -1.975
    9    HD2  PHE   2          2HD       PHE   2   3.328   0.990  -2.950
   10    HE1  PHE   2          1HE       PHE   2   4.085   5.843  -2.885
   11    HE2  PHE   2          2HE       PHE   2   1.634   2.505  -3.860
   12    HZ   PHE   2           HZ       PHE   2   2.007   4.933  -3.830
   13    H    CYS   3           H        CYS   3   3.290   2.090   0.520
   14    HA   CYS   3           HA       CYS   3   2.088  -0.545   0.164
   15    HB2  CYS   3          2HB       CYS   3   1.786   1.212   2.611
   16    HB3  CYS   3          1HB       CYS   3   0.913  -0.283   2.309
   17    H    HIS   4           H        HIS   4  -0.145  -0.469  -0.161
   18    HA   HIS   4           HA       HIS   4  -1.217   2.168  -0.852
   19    HB2  HIS   4          2HB       HIS   4  -2.047  -0.618  -1.643
   20    HB3  HIS   4          1HB       HIS   4  -3.152   0.739  -1.810
   21    HD1  HIS   4          1HD       HIS   4  -2.298  -0.831  -4.270
   22    HD2  HIS   4          2HD       HIS   4  -0.361   2.573  -2.897
   23    HE1  HIS   4          1HE       HIS   4  -1.123   0.178  -6.290
   24    H    ARG   5           H        ARG   5  -3.312   2.711  -0.116
   25    HA   ARG   5           HA       ARG   5  -3.834   1.624   2.545
   26    HB2  ARG   5          2HB       ARG   5  -4.722   4.197   1.248
   27    HB3  ARG   5          1HB       ARG   5  -5.222   3.675   2.848
   28    HG2  ARG   5          2HG       ARG   5  -2.432   4.372   1.950
   29    HG3  ARG   5          1HG       ARG   5  -3.454   5.292   3.053
   30    HD2  ARG   5          2HD       ARG   5  -2.194   2.586   3.524
   31    HD3  ARG   5          1HD       ARG   5  -1.856   4.097   4.358
   32    HE   ARG   5           HE       ARG   5  -4.528   3.598   4.763
   33   HH11  ARG   5          1HH1      ARG   5  -1.452   2.093   5.670
   34   HH12  ARG   5          2HH1      ARG   5  -2.125   1.220   6.980
   35   HH21  ARG   5          1HH2      ARG   5  -5.409   2.365   6.544
   36   HH22  ARG   5          2HH2      ARG   5  -4.401   1.371   7.488
   37    H    SER   6           H        SER   6  -4.668   0.509  -0.132
   38    HA   SER   6           HA       SER   6  -7.521   0.571  -0.035
   39    HB2  SER   6          2HB       SER   6  -7.097  -1.175  -1.879
   40    HB3  SER   6          1HB       SER   6  -6.526   0.469  -2.184
   41    HG   SER   6           HG       SER   6  -5.107  -1.650  -2.342
   42    H    TYR   7           H        TYR   7  -8.167  -2.108  -0.460
   43    HA   TYR   7           HA       TYR   7  -7.055  -3.465   1.850
   44    HB2  TYR   7          2HB       TYR   7  -9.259  -2.657   2.508
   45    HB3  TYR   7          1HB       TYR   7  -9.983  -3.371   1.071
   46    HD1  TYR   7          1HD       TYR   7  -8.097  -4.285   4.153
   47    HD2  TYR   7          2HD       TYR   7 -10.853  -5.528   1.170
   48    HE1  TYR   7          1HE       TYR   7  -8.465  -6.371   5.376
   49    HE2  TYR   7          2HE       TYR   7 -11.234  -7.617   2.380
   50    HH   TYR   7           HH       TYR   7 -10.061  -9.035   3.997
   51    HA   PRO   8           HA       PRO   8  -6.338  -5.171   2.543
   52    HB2  PRO   8          2HB       PRO   8  -4.161  -6.723   2.104
   53    HB3  PRO   8          1HB       PRO   8  -5.751  -7.421   2.436
   54    HG2  PRO   8          2HG       PRO   8  -4.359  -7.043  -0.186
   55    HG3  PRO   8          1HG       PRO   8  -5.271  -8.444   0.403
   56    HD2  PRO   8          2HD       PRO   8  -6.319  -6.612  -1.302
   57    HD3  PRO   8          1HD       PRO   8  -7.302  -7.500  -0.121
   58    HA   PRO   9           HA       PRO   9  -3.372  -2.005   1.503
   59    HB2  PRO   9          2HB       PRO   9  -1.861  -1.966   3.797
   60    HB3  PRO   9          1HB       PRO   9  -3.453  -1.213   3.672
   61    HG2  PRO   9          2HG       PRO   9  -2.684  -3.833   4.874
   62    HG3  PRO   9          1HG       PRO   9  -3.894  -2.661   5.422
   63    HD2  PRO   9          2HD       PRO   9  -4.521  -4.953   4.085
   64    HD3  PRO   9          1HD       PRO   9  -5.503  -3.477   4.001
   65    H    GLU  10           H        GLU  10  -2.373  -3.142  -0.122
   66    HA   GLU  10           HA       GLU  10  -0.414  -5.125   0.318
   67    HB2  GLU  10          2HB       GLU  10  -1.190  -3.571  -2.132
   68    HB3  GLU  10          1HB       GLU  10   0.076  -4.794  -2.140
   69    HG2  GLU  10          2HG       GLU  10  -2.785  -5.267  -1.334
   70    HG3  GLU  10          1HG       GLU  10  -2.085  -5.674  -2.903
   71    H    CYS  11           H        CYS  11   1.676  -5.038   0.519
   72    HA   CYS  11           HA       CYS  11   2.955  -2.435   0.263
   73    HB2  CYS  11          2HB       CYS  11   3.435  -4.568   2.339
   74    HB3  CYS  11          1HB       CYS  11   4.476  -3.172   2.098
   75    H    TRP  12           H        TRP  12   4.813  -2.368  -0.710
   76    HA   TRP  12           HA       TRP  12   5.801  -4.817  -1.963
   77    HB2  TRP  12          2HB       TRP  12   6.102  -1.888  -2.690
   78    HB3  TRP  12          1HB       TRP  12   7.034  -3.160  -3.474
   79    HD1  TRP  12           HD       TRP  12   5.821  -4.626  -5.277
   80    HE1  TRP  12          1HE       TRP  12   3.512  -4.508  -6.409
   81    HE3  TRP  12          3HE       TRP  12   3.583  -1.188  -2.225
   82    HZ2  TRP  12          2HZ       TRP  12   1.080  -3.139  -6.059
   83    HZ3  TRP  12          3HZ       TRP  12   1.264  -0.538  -2.700
   84    HH2  TRP  12           HH       TRP  12   0.049  -1.495  -4.571
   85    HA   PRO  13           HA       PRO  13   9.336  -5.041   0.610
   86    HB2  PRO  13          2HB       PRO  13  11.372  -5.366  -1.247
   87    HB3  PRO  13          1HB       PRO  13  10.324  -6.655  -0.649
   88    HG2  PRO  13          2HG       PRO  13  10.095  -5.044  -3.155
   89    HG3  PRO  13          1HG       PRO  13   9.859  -6.785  -2.919
   90    HD2  PRO  13          2HD       PRO  13   7.766  -5.176  -3.139
   91    HD3  PRO  13          1HD       PRO  13   7.758  -6.486  -1.939
   92    H    ASN  14           H        ASN  14   9.204  -2.583  -1.759
   93    HA   ASN  14           HA       ASN  14  11.606  -1.217  -0.879
   94    HB2  ASN  14          2HB       ASN  14  10.735  -1.129  -3.252
   95    HB3  ASN  14          1HB       ASN  14   9.407  -0.151  -2.645
   96   HD21  ASN  14          1HD2      ASN  14   9.980   1.602  -3.895
   97   HD22  ASN  14          2HD2      ASN  14  11.368   2.567  -3.541
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1   8.584  -1.211  -0.224
    2    HA2  GLY   1          2HA       GLY   1   8.941  -0.433   2.001
    3    HA3  GLY   1          1HA       GLY   1   9.762   0.975   1.342
    4    H    PHE   2           H        PHE   2   7.072   0.367  -0.436
    5    HA   PHE   2           HA       PHE   2   5.545   2.369   1.046
    6    HB2  PHE   2          2HB       PHE   2   6.155   3.148  -1.159
    7    HB3  PHE   2          1HB       PHE   2   5.559   1.682  -1.909
    8    HD1  PHE   2          1HD       PHE   2   3.484   1.740  -2.899
    9    HD2  PHE   2          2HD       PHE   2   4.362   4.529   0.198
   10    HE1  PHE   2          1HE       PHE   2   1.321   2.838  -3.280
   11    HE2  PHE   2          2HE       PHE   2   2.195   5.622  -0.181
   12    HZ   PHE   2           HZ       PHE   2   0.676   4.783  -1.917
   13    H    CYS   3           H        CYS   3   3.639   1.937   1.812
   14    HA   CYS   3           HA       CYS   3   2.359  -0.616   1.169
   15    HB2  CYS   3          2HB       CYS   3   2.103   1.110   3.646
   16    HB3  CYS   3          1HB       CYS   3   1.271  -0.410   3.361
   17    H    HIS   4           H        HIS   4   0.592  -0.375   0.002
   18    HA   HIS   4           HA       HIS   4  -0.470   2.325  -0.275
   19    HB2  HIS   4          2HB       HIS   4   0.202   1.030  -2.339
   20    HB3  HIS   4          1HB       HIS   4  -1.063  -0.128  -1.938
   21    HD1  HIS   4          1HD       HIS   4  -2.740   0.246  -3.785
   22    HD2  HIS   4          2HD       HIS   4  -1.424   3.781  -2.059
   23    HE1  HIS   4          1HE       HIS   4  -4.108   2.079  -4.834
   24    H    ARG   5           H        ARG   5  -2.368   2.812   0.598
   25    HA   ARG   5           HA       ARG   5  -3.720   0.742   2.017
   26    HB2  ARG   5          2HB       ARG   5  -5.329   2.492   2.782
   27    HB3  ARG   5          1HB       ARG   5  -3.656   2.824   3.186
   28    HG2  ARG   5          2HG       ARG   5  -3.509   4.551   1.596
   29    HG3  ARG   5          1HG       ARG   5  -4.998   4.040   0.787
   30    HD2  ARG   5          2HD       ARG   5  -4.792   5.120   3.592
   31    HD3  ARG   5          1HD       ARG   5  -5.321   6.044   2.180
   32    HE   ARG   5           HE       ARG   5  -6.981   3.971   2.111
   33   HH11  ARG   5          1HH1      ARG   5  -6.158   6.149   4.769
   34   HH12  ARG   5          2HH1      ARG   5  -7.636   5.929   5.586
   35   HH21  ARG   5          1HH2      ARG   5  -8.994   3.654   3.244
   36   HH22  ARG   5          2HH2      ARG   5  -9.273   4.472   4.701
   37    H    SER   6           H        SER   6  -4.079  -0.470   0.118
   38    HA   SER   6           HA       SER   6  -6.451   0.289  -1.339
   39    HB2  SER   6          2HB       SER   6  -5.811  -1.918  -2.528
   40    HB3  SER   6          1HB       SER   6  -4.749  -0.526  -2.757
   41    HG   SER   6           HG       SER   6  -3.506  -2.240  -2.312
   42    H    TYR   7           H        TYR   7  -7.424  -2.417  -1.648
   43    HA   TYR   7           HA       TYR   7  -7.944  -3.130   1.124
   44    HB2  TYR   7          2HB       TYR   7  -9.786  -1.691   0.177
   45    HB3  TYR   7          1HB       TYR   7 -10.075  -2.948  -1.016
   46    HD1  TYR   7          1HD       TYR   7  -9.883  -2.434   2.655
   47    HD2  TYR   7          2HD       TYR   7 -11.658  -4.601  -0.542
   48    HE1  TYR   7          1HE       TYR   7 -11.398  -3.491   4.235
   49    HE2  TYR   7          2HE       TYR   7 -13.195  -5.677   1.039
   50    HH   TYR   7           HH       TYR   7 -13.509  -4.575   4.290
   51    HA   PRO   8           HA       PRO   8  -7.287  -4.617   2.257
   52    HB2  PRO   8          2HB       PRO   8  -5.207  -6.650   2.158
   53    HB3  PRO   8          1HB       PRO   8  -6.643  -6.598   3.179
   54    HG2  PRO   8          2HG       PRO   8  -6.342  -8.413   1.197
   55    HG3  PRO   8          1HG       PRO   8  -7.927  -7.759   1.649
   56    HD2  PRO   8          2HD       PRO   8  -6.130  -6.956  -0.616
   57    HD3  PRO   8          1HD       PRO   8  -7.881  -7.264  -0.630
   58    HA   PRO   9           HA       PRO   9  -3.624  -2.079   1.409
   59    HB2  PRO   9          2HB       PRO   9  -3.105  -2.266   4.319
   60    HB3  PRO   9          1HB       PRO   9  -3.364  -0.830   3.325
   61    HG2  PRO   9          2HG       PRO   9  -5.237  -1.662   5.022
   62    HG3  PRO   9          1HG       PRO   9  -5.664  -1.015   3.429
   63    HD2  PRO   9          2HD       PRO   9  -5.564  -3.870   4.336
   64    HD3  PRO   9          1HD       PRO   9  -6.757  -3.035   3.321
   65    H    GLU  10           H        GLU  10  -1.994  -3.161   0.470
   66    HA   GLU  10           HA       GLU  10  -0.525  -5.100   2.093
   67    HB2  GLU  10          2HB       GLU  10  -1.701  -5.885  -0.030
   68    HB3  GLU  10          1HB       GLU  10  -0.504  -4.959  -0.919
   69    HG2  GLU  10          2HG       GLU  10   1.273  -6.312   0.001
   70    HG3  GLU  10          1HG       GLU  10   0.117  -7.196   0.991
   71    H    CYS  11           H        CYS  11   1.779  -5.127   1.951
   72    HA   CYS  11           HA       CYS  11   2.972  -2.565   1.173
   73    HB2  CYS  11          2HB       CYS  11   3.855  -4.596   3.236
   74    HB3  CYS  11          1HB       CYS  11   4.748  -3.144   2.811
   75    H    TRP  12           H        TRP  12   4.703  -2.594  -0.193
   76    HA   TRP  12           HA       TRP  12   5.544  -5.237  -1.118
   77    HB2  TRP  12          2HB       TRP  12   5.149  -2.711  -2.768
   78    HB3  TRP  12          1HB       TRP  12   5.991  -4.135  -3.381
   79    HD1  TRP  12           HD       TRP  12   4.477  -6.315  -3.832
   80    HE1  TRP  12          1HE       TRP  12   1.937  -6.567  -4.219
   81    HE3  TRP  12          3HE       TRP  12   2.958  -1.755  -2.141
   82    HZ2  TRP  12          2HZ       TRP  12  -0.392  -5.012  -3.852
   83    HZ3  TRP  12          3HZ       TRP  12   0.575  -1.217  -2.185
   84    HH2  TRP  12           HH       TRP  12  -1.068  -2.814  -3.027
   85    HA   PRO  13           HA       PRO  13   9.692  -4.491  -0.129
   86    HB2  PRO  13          2HB       PRO  13  10.746  -4.987  -2.820
   87    HB3  PRO  13          1HB       PRO  13  10.968  -5.908  -1.335
   88    HG2  PRO  13          2HG       PRO  13   9.433  -6.853  -3.299
   89    HG3  PRO  13          1HG       PRO  13   8.977  -7.074  -1.601
   90    HD2  PRO  13          2HD       PRO  13   7.995  -5.038  -3.567
   91    HD3  PRO  13          1HD       PRO  13   7.052  -6.060  -2.463
   92    H    ASN  14           H        ASN  14   8.437  -2.258  -2.276
   93    HA   ASN  14           HA       ASN  14  10.922  -0.788  -2.562
   94    HB2  ASN  14          2HB       ASN  14   8.094   0.160  -3.203
   95    HB3  ASN  14          1HB       ASN  14   9.554   1.075  -3.494
   96   HD21  ASN  14          1HD2      ASN  14   7.513  -1.471  -4.618
   97   HD22  ASN  14          2HD2      ASN  14   8.380  -1.776  -6.068
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1   9.006  -1.281   0.474
    2    HA2  GLY   1          2HA       GLY   1   8.803   0.031   2.380
    3    HA3  GLY   1          1HA       GLY   1   9.916   1.201   1.664
    4    H    PHE   2           H        PHE   2   6.976  -0.206   0.364
    5    HA   PHE   2           HA       PHE   2   5.707   2.402   0.418
    6    HB2  PHE   2          2HB       PHE   2   7.005   2.272  -1.690
    7    HB3  PHE   2          1HB       PHE   2   6.154   0.795  -2.104
    8    HD1  PHE   2          1HD       PHE   2   4.135   0.888  -3.274
    9    HD2  PHE   2          2HD       PHE   2   5.660   4.400  -1.425
   10    HE1  PHE   2          1HE       PHE   2   2.415   2.228  -4.409
   11    HE2  PHE   2          2HE       PHE   2   3.946   5.742  -2.551
   12    HZ   PHE   2           HZ       PHE   2   2.322   4.655  -4.050
   13    H    CYS   3           H        CYS   3   3.868   1.918   1.414
   14    HA   CYS   3           HA       CYS   3   2.468  -0.552   0.663
   15    HB2  CYS   3          2HB       CYS   3   2.140   1.114   3.175
   16    HB3  CYS   3          1HB       CYS   3   1.296  -0.381   2.813
   17    H    HIS   4           H        HIS   4   0.330  -0.335  -0.063
   18    HA   HIS   4           HA       HIS   4  -0.539   2.438  -0.376
   19    HB2  HIS   4          2HB       HIS   4  -0.118   1.245  -2.526
   20    HB3  HIS   4          1HB       HIS   4  -1.296   0.023  -2.060
   21    HD1  HIS   4          1HD       HIS   4  -1.035   3.548  -3.345
   22    HD2  HIS   4          2HD       HIS   4  -3.954   0.794  -2.283
   23    HE1  HIS   4          1HE       HIS   4  -3.214   4.497  -4.165
   24    H    ARG   5           H        ARG   5  -2.605   2.955   0.258
   25    HA   ARG   5           HA       ARG   5  -3.679   1.102   2.191
   26    HB2  ARG   5          2HB       ARG   5  -4.691   3.870   1.550
   27    HB3  ARG   5          1HB       ARG   5  -5.161   2.878   2.916
   28    HG2  ARG   5          2HG       ARG   5  -2.480   4.152   2.421
   29    HG3  ARG   5          1HG       ARG   5  -3.640   4.530   3.692
   30    HD2  ARG   5          2HD       ARG   5  -2.076   1.967   3.381
   31    HD3  ARG   5          1HD       ARG   5  -1.809   3.234   4.574
   32    HE   ARG   5           HE       ARG   5  -4.373   2.503   4.976
   33   HH11  ARG   5          1HH1      ARG   5  -1.287   0.724   4.983
   34   HH12  ARG   5          2HH1      ARG   5  -1.831  -0.470   6.051
   35   HH21  ARG   5          1HH2      ARG   5  -5.092   0.853   6.471
   36   HH22  ARG   5          2HH2      ARG   5  -4.027  -0.389   6.925
   37    H    SER   6           H        SER   6  -4.251  -0.418   0.631
   38    HA   SER   6           HA       SER   6  -6.808   0.092  -0.677
   39    HB2  SER   6          2HB       SER   6  -6.183  -2.167  -1.744
   40    HB3  SER   6          1HB       SER   6  -5.192  -0.788  -2.211
   41    HG   SER   6           HG       SER   6  -4.583  -3.046  -0.794
   42    H    TYR   7           H        TYR   7  -7.817  -2.517  -0.627
   43    HA   TYR   7           HA       TYR   7  -7.571  -3.476   2.082
   44    HB2  TYR   7          2HB       TYR   7  -9.503  -1.814   1.985
   45    HB3  TYR   7          1HB       TYR   7 -10.296  -2.929   0.880
   46    HD1  TYR   7          1HD       TYR   7  -8.898  -2.657   4.298
   47    HD2  TYR   7          2HD       TYR   7 -11.584  -4.732   1.739
   48    HE1  TYR   7          1HE       TYR   7  -9.820  -3.825   6.233
   49    HE2  TYR   7          2HE       TYR   7 -12.513  -5.912   3.678
   50    HH   TYR   7           HH       TYR   7 -11.797  -6.536   5.997
   51    HA   PRO   8           HA       PRO   8  -6.797  -5.236   2.786
   52    HB2  PRO   8          2HB       PRO   8  -4.828  -6.992   2.146
   53    HB3  PRO   8          1HB       PRO   8  -6.400  -7.514   2.763
   54    HG2  PRO   8          2HG       PRO   8  -5.426  -7.398  -0.068
   55    HG3  PRO   8          1HG       PRO   8  -6.303  -8.700   0.756
   56    HD2  PRO   8          2HD       PRO   8  -7.551  -6.953  -0.870
   57    HD3  PRO   8          1HD       PRO   8  -8.340  -7.614   0.575
   58    HA   PRO   9           HA       PRO   9  -3.867  -2.274   1.250
   59    HB2  PRO   9          2HB       PRO   9  -2.171  -2.175   3.411
   60    HB3  PRO   9          1HB       PRO   9  -3.726  -1.341   3.342
   61    HG2  PRO   9          2HG       PRO   9  -3.017  -3.920   4.663
   62    HG3  PRO   9          1HG       PRO   9  -4.104  -2.636   5.217
   63    HD2  PRO   9          2HD       PRO   9  -4.988  -4.951   4.121
   64    HD3  PRO   9          1HD       PRO   9  -5.861  -3.414   3.963
   65    H    GLU  10           H        GLU  10  -2.605  -2.927  -0.343
   66    HA   GLU  10           HA       GLU  10  -0.787  -5.146   0.035
   67    HB2  GLU  10          2HB       GLU  10  -1.308  -3.452  -2.415
   68    HB3  GLU  10          1HB       GLU  10  -0.290  -4.882  -2.369
   69    HG2  GLU  10          2HG       GLU  10  -2.316  -6.176  -1.648
   70    HG3  GLU  10          1HG       GLU  10  -3.265  -4.730  -1.986
   71    H    CYS  11           H        CYS  11   1.407  -4.988   0.068
   72    HA   CYS  11           HA       CYS  11   2.522  -2.324  -0.121
   73    HB2  CYS  11          2HB       CYS  11   1.975  -2.743   2.276
   74    HB3  CYS  11          1HB       CYS  11   3.004  -4.170   2.227
   75    H    TRP  12           H        TRP  12   4.700  -2.302  -0.616
   76    HA   TRP  12           HA       TRP  12   5.707  -4.852  -1.649
   77    HB2  TRP  12          2HB       TRP  12   6.082  -2.035  -2.729
   78    HB3  TRP  12          1HB       TRP  12   6.868  -3.467  -3.384
   79    HD1  TRP  12           HD       TRP  12   5.453  -5.003  -4.992
   80    HE1  TRP  12          1HE       TRP  12   3.119  -4.802  -6.071
   81    HE3  TRP  12          3HE       TRP  12   3.649  -1.066  -2.282
   82    HZ2  TRP  12          2HZ       TRP  12   0.822  -3.172  -5.798
   83    HZ3  TRP  12          3HZ       TRP  12   1.384  -0.250  -2.750
   84    HH2  TRP  12           HH       TRP  12   0.002  -1.283  -4.472
   85    HA   PRO  13           HA       PRO  13   9.147  -4.321   1.106
   86    HB2  PRO  13          2HB       PRO  13  11.133  -5.569  -0.285
   87    HB3  PRO  13          1HB       PRO  13   9.844  -6.432   0.554
   88    HG2  PRO  13          2HG       PRO  13  10.096  -5.761  -2.345
   89    HG3  PRO  13          1HG       PRO  13   9.540  -7.261  -1.583
   90    HD2  PRO  13          2HD       PRO  13   7.824  -5.445  -2.611
   91    HD3  PRO  13          1HD       PRO  13   7.424  -6.434  -1.194
   92    H    ASN  14           H        ASN  14   8.842  -2.565  -1.504
   93    HA   ASN  14           HA       ASN  14  11.456  -1.331  -1.719
   94    HB2  ASN  14          2HB       ASN  14   9.985  -1.487  -3.693
   95    HB3  ASN  14          1HB       ASN  14   8.738  -0.584  -2.855
   96   HD21  ASN  14          1HD2      ASN  14  11.804  -0.409  -4.465
   97   HD22  ASN  14          2HD2      ASN  14  11.827   1.294  -4.690
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1   9.420  -1.206   0.544
    2    HA2  GLY   1          2HA       GLY   1   9.033   0.336   2.206
    3    HA3  GLY   1          1HA       GLY   1  10.057   1.462   1.325
    4    H    PHE   2           H        PHE   2   7.036  -0.180   0.487
    5    HA   PHE   2           HA       PHE   2   5.686   2.370   0.337
    6    HB2  PHE   2          2HB       PHE   2   6.750   2.251  -1.845
    7    HB3  PHE   2          1HB       PHE   2   6.122   0.631  -2.098
    8    HD1  PHE   2          1HD       PHE   2   4.953   4.123  -1.479
    9    HD2  PHE   2          2HD       PHE   2   4.178   0.363  -3.308
   10    HE1  PHE   2          1HE       PHE   2   2.970   5.064  -2.593
   11    HE2  PHE   2          2HE       PHE   2   2.205   1.293  -4.406
   12    HZ   PHE   2           HZ       PHE   2   1.592   3.642  -4.057
   13    H    CYS   3           H        CYS   3   3.703   2.121   1.078
   14    HA   CYS   3           HA       CYS   3   2.355  -0.448   0.698
   15    HB2  CYS   3          2HB       CYS   3   2.246   1.347   3.138
   16    HB3  CYS   3          1HB       CYS   3   1.203  -0.044   2.882
   17    H    HIS   4           H        HIS   4   0.216  -0.355   0.150
   18    HA   HIS   4           HA       HIS   4  -0.850   2.314  -0.514
   19    HB2  HIS   4          2HB       HIS   4  -0.277   0.817  -2.471
   20    HB3  HIS   4          1HB       HIS   4  -1.428  -0.356  -1.858
   21    HD1  HIS   4          1HD       HIS   4  -1.248   1.637  -4.574
   22    HD2  HIS   4          2HD       HIS   4  -4.062   1.497  -1.525
   23    HE1  HIS   4          1HE       HIS   4  -3.360   2.611  -5.540
   24    H    ARG   5           H        ARG   5  -2.599   2.789   0.691
   25    HA   ARG   5           HA       ARG   5  -3.780   0.668   2.207
   26    HB2  ARG   5          2HB       ARG   5  -5.065   2.438   3.393
   27    HB3  ARG   5          1HB       ARG   5  -3.337   2.710   3.438
   28    HG2  ARG   5          2HG       ARG   5  -3.559   4.388   1.678
   29    HG3  ARG   5          1HG       ARG   5  -5.301   4.094   1.645
   30    HD2  ARG   5          2HD       ARG   5  -5.398   4.765   4.029
   31    HD3  ARG   5          1HD       ARG   5  -3.679   5.167   3.942
   32    HE   ARG   5           HE       ARG   5  -5.363   6.411   1.973
   33   HH11  ARG   5          1HH1      ARG   5  -3.835   6.770   5.140
   34   HH12  ARG   5          2HH1      ARG   5  -3.946   8.468   5.167
   35   HH21  ARG   5          1HH2      ARG   5  -5.537   8.748   2.021
   36   HH22  ARG   5          2HH2      ARG   5  -4.928   9.618   3.353
   37    H    SER   6           H        SER   6  -4.706  -0.539   0.798
   38    HA   SER   6           HA       SER   6  -7.183   0.407  -0.449
   39    HB2  SER   6          2HB       SER   6  -6.674  -1.470  -2.116
   40    HB3  SER   6          1HB       SER   6  -5.609  -0.068  -2.209
   41    HG   SER   6           HG       SER   6  -5.017  -2.544  -0.878
   42    H    TYR   7           H        TYR   7  -8.203  -2.125  -1.041
   43    HA   TYR   7           HA       TYR   7  -7.925  -3.546   1.474
   44    HB2  TYR   7          2HB       TYR   7 -10.187  -2.604   1.394
   45    HB3  TYR   7          1HB       TYR   7 -10.452  -3.321  -0.195
   46    HD1  TYR   7          1HD       TYR   7  -9.811  -4.182   3.365
   47    HD2  TYR   7          2HD       TYR   7 -11.257  -5.525  -0.397
   48    HE1  TYR   7          1HE       TYR   7 -10.599  -6.248   4.412
   49    HE2  TYR   7          2HE       TYR   7 -12.061  -7.585   0.629
   50    HH   TYR   7           HH       TYR   7 -11.589  -8.948   2.572
   51    HA   PRO   8           HA       PRO   8  -7.108  -5.053   2.249
   52    HB2  PRO   8          2HB       PRO   8  -4.965  -6.670   2.331
   53    HB3  PRO   8          1HB       PRO   8  -6.605  -7.326   2.330
   54    HG2  PRO   8          2HG       PRO   8  -4.663  -7.092   0.069
   55    HG3  PRO   8          1HG       PRO   8  -5.723  -8.445   0.494
   56    HD2  PRO   8          2HD       PRO   8  -6.302  -6.609  -1.458
   57    HD3  PRO   8          1HD       PRO   8  -7.536  -7.511  -0.557
   58    HA   PRO   9           HA       PRO   9  -3.739  -2.069   1.706
   59    HB2  PRO   9          2HB       PRO   9  -2.718  -2.975   4.340
   60    HB3  PRO   9          1HB       PRO   9  -3.217  -1.358   3.841
   61    HG2  PRO   9          2HG       PRO   9  -4.713  -2.834   5.508
   62    HG3  PRO   9          1HG       PRO   9  -5.444  -1.756   4.306
   63    HD2  PRO   9          2HD       PRO   9  -5.175  -4.743   4.244
   64    HD3  PRO   9          1HD       PRO   9  -6.489  -3.698   3.678
   65    H    GLU  10           H        GLU  10  -2.144  -2.633   0.353
   66    HA   GLU  10           HA       GLU  10  -0.611  -5.065   0.942
   67    HB2  GLU  10          2HB       GLU  10  -0.975  -3.646  -1.700
   68    HB3  GLU  10          1HB       GLU  10  -0.053  -5.119  -1.443
   69    HG2  GLU  10          2HG       GLU  10  -2.140  -6.240  -0.725
   70    HG3  GLU  10          1HG       GLU  10  -3.020  -4.769  -1.123
   71    H    CYS  11           H        CYS  11   1.565  -4.997   1.021
   72    HA   CYS  11           HA       CYS  11   2.840  -2.404   0.557
   73    HB2  CYS  11          2HB       CYS  11   3.538  -4.505   2.602
   74    HB3  CYS  11          1HB       CYS  11   4.514  -3.083   2.261
   75    H    TRP  12           H        TRP  12   4.838  -2.426  -0.384
   76    HA   TRP  12           HA       TRP  12   5.645  -4.946  -1.659
   77    HB2  TRP  12          2HB       TRP  12   5.858  -2.087  -2.669
   78    HB3  TRP  12          1HB       TRP  12   6.618  -3.466  -3.453
   79    HD1  TRP  12           HD       TRP  12   5.134  -4.907  -5.045
   80    HE1  TRP  12          1HE       TRP  12   2.687  -4.730  -5.880
   81    HE3  TRP  12          3HE       TRP  12   3.416  -1.320  -1.850
   82    HZ2  TRP  12          2HZ       TRP  12   0.377  -3.280  -5.272
   83    HZ3  TRP  12          3HZ       TRP  12   1.089  -0.602  -2.040
   84    HH2  TRP  12           HH       TRP  12  -0.404  -1.562  -3.724
   85    HA   PRO  13           HA       PRO  13   9.362  -4.427   0.753
   86    HB2  PRO  13          2HB       PRO  13  11.112  -5.863  -0.724
   87    HB3  PRO  13          1HB       PRO  13   9.788  -6.630   0.162
   88    HG2  PRO  13          2HG       PRO  13   9.910  -5.850  -2.731
   89    HG3  PRO  13          1HG       PRO  13   9.413  -7.400  -2.029
   90    HD2  PRO  13          2HD       PRO  13   7.610  -5.584  -2.796
   91    HD3  PRO  13          1HD       PRO  13   7.359  -6.565  -1.338
   92    H    ASN  14           H        ASN  14   8.806  -2.286  -1.031
   93    HA   ASN  14           HA       ASN  14  11.511  -1.371  -1.781
   94    HB2  ASN  14          2HB       ASN  14   8.869  -0.965  -3.186
   95    HB3  ASN  14          1HB       ASN  14  10.184   0.174  -3.387
   96   HD21  ASN  14          1HD2      ASN  14  10.974  -3.217  -3.048
   97   HD22  ASN  14          2HD2      ASN  14  11.334  -3.468  -4.716
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1   8.596  -0.771  -0.077
    2    HA2  GLY   1          2HA       GLY   1   8.840   0.229   2.199
    3    HA3  GLY   1          1HA       GLY   1   9.864   1.425   1.403
    4    H    PHE   2           H        PHE   2   6.718  -0.095   0.738
    5    HA   PHE   2           HA       PHE   2   5.411   2.434   0.731
    6    HB2  PHE   2          2HB       PHE   2   6.479   2.499  -1.491
    7    HB3  PHE   2          1HB       PHE   2   5.757   0.947  -1.889
    8    HD1  PHE   2          1HD       PHE   2   4.884   4.425  -0.934
    9    HD2  PHE   2          2HD       PHE   2   3.678   0.876  -2.939
   10    HE1  PHE   2          1HE       PHE   2   2.906   5.592  -1.816
   11    HE2  PHE   2          2HE       PHE   2   1.709   2.032  -3.814
   12    HZ   PHE   2           HZ       PHE   2   1.318   4.394  -3.255
   13    H    CYS   3           H        CYS   3   3.354   2.135   1.251
   14    HA   CYS   3           HA       CYS   3   2.133  -0.475   0.794
   15    HB2  CYS   3          2HB       CYS   3   2.002   1.124   3.362
   16    HB3  CYS   3          1HB       CYS   3   1.038  -0.302   3.014
   17    H    HIS   4           H        HIS   4   0.474  -0.176  -0.424
   18    HA   HIS   4           HA       HIS   4  -0.858   2.418  -0.548
   19    HB2  HIS   4          2HB       HIS   4  -0.221   1.319  -2.678
   20    HB3  HIS   4          1HB       HIS   4  -1.179  -0.085  -2.243
   21    HD1  HIS   4          1HD       HIS   4  -1.490   3.400  -3.595
   22    HD2  HIS   4          2HD       HIS   4  -3.923   0.208  -2.558
   23    HE1  HIS   4          1HE       HIS   4  -3.734   3.896  -4.598
   24    H    ARG   5           H        ARG   5  -2.701   2.730   0.527
   25    HA   ARG   5           HA       ARG   5  -3.734   0.437   1.895
   26    HB2  ARG   5          2HB       ARG   5  -4.220   3.352   2.410
   27    HB3  ARG   5          1HB       ARG   5  -5.180   2.102   3.188
   28    HG2  ARG   5          2HG       ARG   5  -3.502   2.653   4.731
   29    HG3  ARG   5          1HG       ARG   5  -2.976   1.138   4.016
   30    HD2  ARG   5          2HD       ARG   5  -1.053   2.491   4.108
   31    HD3  ARG   5          1HD       ARG   5  -1.581   2.559   2.427
   32    HE   ARG   5           HE       ARG   5  -2.744   4.645   3.899
   33   HH11  ARG   5          1HH1      ARG   5   0.304   3.776   2.304
   34   HH12  ARG   5          2HH1      ARG   5   0.938   5.350   2.359
   35   HH21  ARG   5          1HH2      ARG   5  -1.874   6.815   3.926
   36   HH22  ARG   5          2HH2      ARG   5  -0.337   7.119   3.280
   37    H    SER   6           H        SER   6  -4.528  -0.532   0.127
   38    HA   SER   6           HA       SER   6  -7.201   0.286  -0.673
   39    HB2  SER   6          2HB       SER   6  -6.791  -1.858  -2.097
   40    HB3  SER   6          1HB       SER   6  -5.886  -0.405  -2.526
   41    HG   SER   6           HG       SER   6  -4.970  -2.690  -1.065
   42    H    TYR   7           H        TYR   7  -8.235  -2.372  -0.895
   43    HA   TYR   7           HA       TYR   7  -7.721  -3.448   1.752
   44    HB2  TYR   7          2HB       TYR   7  -9.960  -2.370   1.693
   45    HB3  TYR   7          1HB       TYR   7 -10.422  -3.460   0.387
   46    HD1  TYR   7          1HD       TYR   7  -9.208  -3.478   3.913
   47    HD2  TYR   7          2HD       TYR   7 -11.428  -5.510   0.903
   48    HE1  TYR   7          1HE       TYR   7  -9.924  -5.126   5.567
   49    HE2  TYR   7          2HE       TYR   7 -12.152  -7.165   2.556
   50    HH   TYR   7           HH       TYR   7 -11.664  -6.749   5.929
   51    HA   PRO   8           HA       PRO   8  -6.831  -4.904   2.614
   52    HB2  PRO   8          2HB       PRO   8  -4.646  -6.443   2.588
   53    HB3  PRO   8          1HB       PRO   8  -6.253  -7.144   2.818
   54    HG2  PRO   8          2HG       PRO   8  -4.577  -7.013   0.343
   55    HG3  PRO   8          1HG       PRO   8  -5.493  -8.382   0.997
   56    HD2  PRO   8          2HD       PRO   8  -6.417  -6.778  -1.012
   57    HD3  PRO   8          1HD       PRO   8  -7.475  -7.629   0.131
   58    HA   PRO   9           HA       PRO   9  -3.665  -1.865   1.448
   59    HB2  PRO   9          2HB       PRO   9  -2.432  -2.462   4.083
   60    HB3  PRO   9          1HB       PRO   9  -2.991  -0.913   3.448
   61    HG2  PRO   9          2HG       PRO   9  -4.364  -2.168   5.356
   62    HG3  PRO   9          1HG       PRO   9  -5.200  -1.313   4.045
   63    HD2  PRO   9          2HD       PRO   9  -4.737  -4.255   4.391
   64    HD3  PRO   9          1HD       PRO   9  -6.175  -3.387   3.820
   65    H    GLU  10           H        GLU  10  -2.028  -2.376   0.151
   66    HA   GLU  10           HA       GLU  10  -0.610  -4.877   0.674
   67    HB2  GLU  10          2HB       GLU  10  -0.947  -3.366  -1.917
   68    HB3  GLU  10          1HB       GLU  10  -0.103  -4.895  -1.729
   69    HG2  GLU  10          2HG       GLU  10  -2.239  -5.899  -0.928
   70    HG3  GLU  10          1HG       GLU  10  -3.037  -4.381  -1.309
   71    H    CYS  11           H        CYS  11   1.578  -4.956   0.707
   72    HA   CYS  11           HA       CYS  11   2.972  -2.387   0.537
   73    HB2  CYS  11          2HB       CYS  11   3.501  -4.656   2.460
   74    HB3  CYS  11          1HB       CYS  11   4.519  -3.238   2.280
   75    H    TRP  12           H        TRP  12   4.826  -2.362  -0.537
   76    HA   TRP  12           HA       TRP  12   5.613  -4.838  -1.907
   77    HB2  TRP  12          2HB       TRP  12   6.016  -1.934  -2.645
   78    HB3  TRP  12          1HB       TRP  12   6.828  -3.252  -3.474
   79    HD1  TRP  12           HD       TRP  12   5.482  -4.537  -5.310
   80    HE1  TRP  12          1HE       TRP  12   3.131  -4.244  -6.341
   81    HE3  TRP  12          3HE       TRP  12   3.514  -1.203  -1.967
   82    HZ2  TRP  12          2HZ       TRP  12   0.770  -2.803  -5.797
   83    HZ3  TRP  12          3HZ       TRP  12   1.211  -0.429  -2.303
   84    HH2  TRP  12           HH       TRP  12  -0.128  -1.220  -4.180
   85    HA   PRO  13           HA       PRO  13   9.421  -4.676   0.408
   86    HB2  PRO  13          2HB       PRO  13  11.006  -6.163  -1.238
   87    HB3  PRO  13          1HB       PRO  13   9.764  -6.887  -0.210
   88    HG2  PRO  13          2HG       PRO  13   9.665  -6.234  -3.127
   89    HG3  PRO  13          1HG       PRO  13   9.055  -7.665  -2.279
   90    HD2  PRO  13          2HD       PRO  13   7.460  -5.615  -3.065
   91    HD3  PRO  13          1HD       PRO  13   7.116  -6.609  -1.635
   92    H    ASN  14           H        ASN  14   9.263  -2.436  -0.270
   93    HA   ASN  14           HA       ASN  14  11.678  -1.496  -1.598
   94    HB2  ASN  14          2HB       ASN  14  10.058  -1.533  -3.448
   95    HB3  ASN  14          1HB       ASN  14   8.883  -0.679  -2.462
   96   HD21  ASN  14          1HD2      ASN  14  11.788  -0.406  -4.311
   97   HD22  ASN  14          2HD2      ASN  14  11.851   1.299  -4.378
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1   9.004  -1.541   0.139
    2    HA2  GLY   1          2HA       GLY   1   8.592  -0.368   2.063
    3    HA3  GLY   1          1HA       GLY   1   9.742   0.855   1.539
    4    H    PHE   2           H        PHE   2   6.742  -0.406   0.161
    5    HA   PHE   2           HA       PHE   2   5.624   2.284   0.355
    6    HB2  PHE   2          2HB       PHE   2   6.611   2.009  -1.926
    7    HB3  PHE   2          1HB       PHE   2   5.588   0.603  -2.173
    8    HD1  PHE   2          1HD       PHE   2   3.357   0.851  -2.929
    9    HD2  PHE   2          2HD       PHE   2   5.548   4.259  -1.628
   10    HE1  PHE   2          1HE       PHE   2   1.594   2.313  -3.809
   11    HE2  PHE   2          2HE       PHE   2   3.786   5.726  -2.506
   12    HZ   PHE   2           HZ       PHE   2   1.805   4.759  -3.594
   13    H    CYS   3           H        CYS   3   3.580   2.193   1.088
   14    HA   CYS   3           HA       CYS   3   2.157  -0.365   0.893
   15    HB2  CYS   3          2HB       CYS   3   2.178   1.575   3.203
   16    HB3  CYS   3          1HB       CYS   3   1.156   0.149   3.086
   17    H    HIS   4           H        HIS   4   0.192  -0.230   0.044
   18    HA   HIS   4           HA       HIS   4  -0.910   2.457  -0.327
   19    HB2  HIS   4          2HB       HIS   4  -0.339   1.207  -2.440
   20    HB3  HIS   4          1HB       HIS   4  -1.519  -0.015  -1.980
   21    HD1  HIS   4          1HD       HIS   4  -1.209   3.075  -3.903
   22    HD2  HIS   4          2HD       HIS   4  -4.227   1.111  -1.836
   23    HE1  HIS   4          1HE       HIS   4  -3.349   4.057  -4.732
   24    H    ARG   5           H        ARG   5  -2.731   2.874   0.702
   25    HA   ARG   5           HA       ARG   5  -3.930   0.785   2.246
   26    HB2  ARG   5          2HB       ARG   5  -5.353   2.602   3.246
   27    HB3  ARG   5          1HB       ARG   5  -3.626   2.831   3.433
   28    HG2  ARG   5          2HG       ARG   5  -3.686   4.401   1.506
   29    HG3  ARG   5          1HG       ARG   5  -5.443   4.245   1.491
   30    HD2  ARG   5          2HD       ARG   5  -5.541   5.109   3.768
   31    HD3  ARG   5          1HD       ARG   5  -3.780   5.218   3.807
   32    HE   ARG   5           HE       ARG   5  -5.131   6.671   1.696
   33   HH11  ARG   5          1HH1      ARG   5  -3.622   6.853   4.882
   34   HH12  ARG   5          2HH1      ARG   5  -3.373   8.540   4.829
   35   HH21  ARG   5          1HH2      ARG   5  -4.826   8.939   1.619
   36   HH22  ARG   5          2HH2      ARG   5  -4.107   9.783   2.919
   37    H    SER   6           H        SER   6  -4.620  -0.447   0.557
   38    HA   SER   6           HA       SER   6  -7.194   0.326  -0.620
   39    HB2  SER   6          2HB       SER   6  -6.544  -1.633  -2.177
   40    HB3  SER   6          1HB       SER   6  -5.662  -0.125  -2.390
   41    HG   SER   6           HG       SER   6  -4.784  -2.509  -1.066
   42    H    TYR   7           H        TYR   7  -8.129  -2.208  -1.177
   43    HA   TYR   7           HA       TYR   7  -7.818  -3.631   1.339
   44    HB2  TYR   7          2HB       TYR   7 -10.159  -2.843   1.053
   45    HB3  TYR   7          1HB       TYR   7 -10.255  -3.726  -0.474
   46    HD1  TYR   7          1HD       TYR   7 -10.660  -6.099  -0.510
   47    HD2  TYR   7          2HD       TYR   7  -9.887  -4.119   3.178
   48    HE1  TYR   7          1HE       TYR   7 -11.256  -8.142   0.706
   49    HE2  TYR   7          2HE       TYR   7 -10.481  -6.133   4.396
   50    HH   TYR   7           HH       TYR   7 -11.886  -8.210   3.985
   51    HA   PRO   8           HA       PRO   8  -6.845  -5.066   2.140
   52    HB2  PRO   8          2HB       PRO   8  -4.619  -6.531   2.272
   53    HB3  PRO   8          1HB       PRO   8  -6.198  -7.318   2.154
   54    HG2  PRO   8          2HG       PRO   8  -4.191  -6.784  -0.008
   55    HG3  PRO   8          1HG       PRO   8  -5.078  -8.279   0.335
   56    HD2  PRO   8          2HD       PRO   8  -5.835  -6.509  -1.578
   57    HD3  PRO   8          1HD       PRO   8  -6.986  -7.531  -0.696
   58    HA   PRO   9           HA       PRO   9  -3.694  -1.951   1.454
   59    HB2  PRO   9          2HB       PRO   9  -2.753  -1.595   4.001
   60    HB3  PRO   9          1HB       PRO   9  -4.292  -0.929   3.446
   61    HG2  PRO   9          2HG       PRO   9  -3.758  -3.305   5.137
   62    HG3  PRO   9          1HG       PRO   9  -5.123  -2.181   5.179
   63    HD2  PRO   9          2HD       PRO   9  -5.179  -4.715   4.045
   64    HD3  PRO   9          1HD       PRO   9  -6.309  -3.405   3.664
   65    H    GLU  10           H        GLU  10  -2.186  -2.993   0.265
   66    HA   GLU  10           HA       GLU  10  -0.473  -4.882   1.629
   67    HB2  GLU  10          2HB       GLU  10   0.230  -5.628  -0.615
   68    HB3  GLU  10          1HB       GLU  10  -1.499  -5.757  -0.356
   69    HG2  GLU  10          2HG       GLU  10  -1.847  -3.723  -1.666
   70    HG3  GLU  10          1HG       GLU  10  -0.105  -3.589  -1.913
   71    H    CYS  11           H        CYS  11   1.761  -4.908   1.350
   72    HA   CYS  11           HA       CYS  11   2.953  -2.299   0.765
   73    HB2  CYS  11          2HB       CYS  11   3.714  -4.250   2.945
   74    HB3  CYS  11          1HB       CYS  11   4.621  -2.803   2.528
   75    H    TRP  12           H        TRP  12   4.747  -2.313  -0.400
   76    HA   TRP  12           HA       TRP  12   5.551  -4.863  -1.585
   77    HB2  TRP  12          2HB       TRP  12   5.834  -2.015  -2.568
   78    HB3  TRP  12          1HB       TRP  12   6.539  -3.421  -3.360
   79    HD1  TRP  12           HD       TRP  12   4.975  -4.925  -4.810
   80    HE1  TRP  12          1HE       TRP  12   2.556  -4.662  -5.652
   81    HE3  TRP  12          3HE       TRP  12   3.475  -1.060  -1.842
   82    HZ2  TRP  12          2HZ       TRP  12   0.326  -3.039  -5.146
   83    HZ3  TRP  12          3HZ       TRP  12   1.191  -0.211  -2.084
   84    HH2  TRP  12           HH       TRP  12  -0.354  -1.187  -3.706
   85    HA   PRO  13           HA       PRO  13   9.519  -4.954   0.372
   86    HB2  PRO  13          2HB       PRO  13  10.711  -5.297  -2.331
   87    HB3  PRO  13          1HB       PRO  13  10.897  -6.301  -0.890
   88    HG2  PRO  13          2HG       PRO  13   9.356  -7.123  -2.859
   89    HG3  PRO  13          1HG       PRO  13   8.819  -7.320  -1.181
   90    HD2  PRO  13          2HD       PRO  13   7.981  -5.288  -3.211
   91    HD3  PRO  13          1HD       PRO  13   6.998  -6.192  -2.038
   92    H    ASN  14           H        ASN  14   9.081  -2.701  -2.233
   93    HA   ASN  14           HA       ASN  14  11.583  -1.366  -1.702
   94    HB2  ASN  14          2HB       ASN  14   9.339  -0.743  -3.598
   95    HB3  ASN  14          1HB       ASN  14  10.564   0.460  -3.243
   96   HD21  ASN  14          1HD2      ASN  14   9.876  -2.505  -4.870
   97   HD22  ASN  14          2HD2      ASN  14  11.370  -2.621  -5.715
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1   9.046  -1.508   1.031
    2    HA2  GLY   1          2HA       GLY   1   8.600  -0.462   3.033
    3    HA3  GLY   1          1HA       GLY   1   9.755   0.788   2.568
    4    H    PHE   2           H        PHE   2   6.896  -0.276   0.834
    5    HA   PHE   2           HA       PHE   2   5.530   2.200   1.370
    6    HB2  PHE   2          2HB       PHE   2   7.118   2.706  -0.500
    7    HB3  PHE   2          1HB       PHE   2   6.340   1.447  -1.446
    8    HD1  PHE   2          1HD       PHE   2   5.497   4.517   0.473
    9    HD2  PHE   2          2HD       PHE   2   4.652   2.049  -2.886
   10    HE1  PHE   2          1HE       PHE   2   3.849   6.143  -0.298
   11    HE2  PHE   2          2HE       PHE   2   2.994   3.677  -3.660
   12    HZ   PHE   2           HZ       PHE   2   2.588   5.726  -2.366
   13    H    CYS   3           H        CYS   3   3.359   1.851   1.310
   14    HA   CYS   3           HA       CYS   3   2.445  -0.628   0.050
   15    HB2  CYS   3          2HB       CYS   3   1.423   0.545   2.649
   16    HB3  CYS   3          1HB       CYS   3   0.833  -0.911   1.866
   17    H    HIS   4           H        HIS   4   0.168  -0.619  -0.454
   18    HA   HIS   4           HA       HIS   4  -0.764   1.968  -1.468
   19    HB2  HIS   4          2HB       HIS   4  -0.542  -0.074  -2.960
   20    HB3  HIS   4          1HB       HIS   4  -1.787  -0.825  -1.976
   21    HD1  HIS   4          1HD       HIS   4  -4.105  -0.581  -2.874
   22    HD2  HIS   4          2HD       HIS   4  -1.538   2.396  -4.226
   23    HE1  HIS   4          1HE       HIS   4  -5.426   0.784  -4.545
   24    H    ARG   5           H        ARG   5  -2.538   2.931  -0.541
   25    HA   ARG   5           HA       ARG   5  -3.690   1.649   1.753
   26    HB2  ARG   5          2HB       ARG   5  -4.411   4.290   0.466
   27    HB3  ARG   5          1HB       ARG   5  -5.134   3.676   1.943
   28    HG2  ARG   5          2HG       ARG   5  -2.866   3.679   2.972
   29    HG3  ARG   5          1HG       ARG   5  -2.261   4.470   1.517
   30    HD2  ARG   5          2HD       ARG   5  -4.394   5.532   3.375
   31    HD3  ARG   5          1HD       ARG   5  -2.732   6.099   3.274
   32    HE   ARG   5           HE       ARG   5  -3.927   6.301   0.742
   33   HH11  ARG   5          1HH1      ARG   5  -4.008   7.915   3.912
   34   HH12  ARG   5          2HH1      ARG   5  -4.653   9.362   3.291
   35   HH21  ARG   5          1HH2      ARG   5  -4.756   8.301  -0.083
   36   HH22  ARG   5          2HH2      ARG   5  -5.083   9.593   0.965
   37    H    SER   6           H        SER   6  -4.663  -0.096   1.058
   38    HA   SER   6           HA       SER   6  -7.281   0.245  -0.119
   39    HB2  SER   6          2HB       SER   6  -6.740  -1.870  -1.492
   40    HB3  SER   6          1HB       SER   6  -6.033  -0.358  -2.059
   41    HG   SER   6           HG       SER   6  -4.739  -2.441  -1.745
   42    H    TYR   7           H        TYR   7  -8.080  -2.434  -0.020
   43    HA   TYR   7           HA       TYR   7  -7.115  -3.392   2.528
   44    HB2  TYR   7          2HB       TYR   7  -9.196  -2.030   2.904
   45    HB3  TYR   7          1HB       TYR   7 -10.059  -3.183   1.893
   46    HD1  TYR   7          1HD       TYR   7 -10.620  -5.398   2.736
   47    HD2  TYR   7          2HD       TYR   7  -8.372  -2.675   5.091
   48    HE1  TYR   7          1HE       TYR   7 -10.979  -6.816   4.705
   49    HE2  TYR   7          2HE       TYR   7  -8.719  -4.065   7.061
   50    HH   TYR   7           HH       TYR   7 -10.304  -5.749   7.857
   51    HA   PRO   8           HA       PRO   8  -6.203  -4.982   3.201
   52    HB2  PRO   8          2HB       PRO   8  -4.406  -6.928   1.964
   53    HB3  PRO   8          1HB       PRO   8  -5.187  -6.994   3.543
   54    HG2  PRO   8          2HG       PRO   8  -5.873  -8.645   1.529
   55    HG3  PRO   8          1HG       PRO   8  -7.043  -8.066   2.729
   56    HD2  PRO   8          2HD       PRO   8  -6.563  -7.085  -0.064
   57    HD3  PRO   8          1HD       PRO   8  -8.098  -7.396   0.771
   58    HA   PRO   9           HA       PRO   9  -3.484  -2.132   1.047
   59    HB2  PRO   9          2HB       PRO   9  -1.560  -2.759   3.225
   60    HB3  PRO   9          1HB       PRO   9  -2.173  -1.192   2.689
   61    HG2  PRO   9          2HG       PRO   9  -3.032  -2.280   4.959
   62    HG3  PRO   9          1HG       PRO   9  -4.138  -1.399   3.889
   63    HD2  PRO   9          2HD       PRO   9  -3.840  -4.342   4.291
   64    HD3  PRO   9          1HD       PRO   9  -5.298  -3.369   4.010
   65    H    GLU  10           H        GLU  10  -2.214  -2.540  -0.624
   66    HA   GLU  10           HA       GLU  10  -0.692  -4.984  -0.868
   67    HB2  GLU  10          2HB       GLU  10  -1.005  -2.574  -2.668
   68    HB3  GLU  10          1HB       GLU  10   0.073  -3.904  -3.041
   69    HG2  GLU  10          2HG       GLU  10  -2.869  -4.227  -2.580
   70    HG3  GLU  10          1HG       GLU  10  -2.142  -3.982  -4.169
   71    H    CYS  11           H        CYS  11   1.139  -5.097   0.278
   72    HA   CYS  11           HA       CYS  11   2.743  -2.685   0.425
   73    HB2  CYS  11          2HB       CYS  11   2.745  -5.165   2.111
   74    HB3  CYS  11          1HB       CYS  11   4.059  -3.992   2.166
   75    H    TRP  12           H        TRP  12   4.397  -2.399  -0.744
   76    HA   TRP  12           HA       TRP  12   5.515  -4.645  -2.215
   77    HB2  TRP  12          2HB       TRP  12   5.863  -1.648  -2.533
   78    HB3  TRP  12          1HB       TRP  12   6.579  -2.865  -3.580
   79    HD1  TRP  12           HD       TRP  12   4.672  -4.461  -4.901
   80    HE1  TRP  12          1HE       TRP  12   2.494  -3.699  -6.013
   81    HE3  TRP  12          3HE       TRP  12   4.045  -0.025  -2.468
   82    HZ2  TRP  12          2HZ       TRP  12   0.728  -1.498  -5.882
   83    HZ3  TRP  12          3HZ       TRP  12   2.083   1.360  -3.030
   84    HH2  TRP  12           HH       TRP  12   0.466   0.631  -4.703
   85    HA   PRO  13           HA       PRO  13   9.034  -4.730   0.489
   86    HB2  PRO  13          2HB       PRO  13  11.008  -5.509  -1.189
   87    HB3  PRO  13          1HB       PRO  13   9.686  -6.589  -0.723
   88    HG2  PRO  13          2HG       PRO  13   9.962  -4.901  -3.187
   89    HG3  PRO  13          1HG       PRO  13   9.555  -6.622  -3.070
   90    HD2  PRO  13          2HD       PRO  13   7.647  -4.787  -3.393
   91    HD3  PRO  13          1HD       PRO  13   7.391  -6.184  -2.328
   92    H    ASN  14           H        ASN  14   8.492  -2.188  -1.073
   93    HA   ASN  14           HA       ASN  14  11.178  -0.995  -1.323
   94    HB2  ASN  14          2HB       ASN  14   8.482   0.090  -2.205
   95    HB3  ASN  14          1HB       ASN  14  10.034   0.859  -2.482
   96   HD21  ASN  14          1HD2      ASN  14   9.722   0.889  -4.679
   97   HD22  ASN  14          2HD2      ASN  14   9.809  -0.522  -5.668