*HEADER    DE NOVO PROTEIN                         09-JAN-20   6TVJ              
*TITLE     SOLUTION STRUCTURE OF PD-I3 PEPTIDE INHIBITOR OF THE HUMAN PD-1       
*TITLE    2 EXTRACELLULAR DOMAIN                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PD-I3 PEPTIDE;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    IMMUNOTHERAPY, HETEROCHIRAL PEPTIDE, COMPUTATIONAL DESIGN, DE NOVO    
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    S.GUARDIOLA,M.VARESE,J.GARCIA,E.GIRALT                                
*REVDAT   1   27-JAN-21 6TVJ    0                                                
# Restraints file 1: noes_tnz7Rks.tbl
assign (resid 1 and name HN) (resid 3 and name HN) 2.5 0.7 3.0
assign (resid 5 and name HN) (resid 7 and name HN) 4.0 2.2 2.0
assign (resid 10 and name HN) (resid 8 and name HN) 3.0 1.2 2.0
assign (resid 7 and name HN) (resid 9 and name HN) 4.0 2.2 2.0

assign (resid 6 and name HA) (resid 5 and name HD+) 3.0 1.2 2.0 
assign (resid 10 and name HD+) resid 7 and name HA) 4.0 2.2 2.0 
assign (resid 10 and name HN) (resid 8 and name HB) 4.0 2.2 2.0
assign (resid 10 and name HN) (resid 9 and name HB+) 3.0 1.2 2.0 
assign (resid 1 and name HN) (resid 10 and name HB+) 3.0 1.2 2.0   
assign (resid 8 and name HN) (resid 7 and name HB+) 2.5 0.7 2.0 
assign (resid 9 and name HN) (resid 8 and name HG+) 3.0 1.2 2.0

assign (resid 5 and name HD+) (resid 8 and name HB) 4.0 2.2 2.0 
assign (resid 5 and name HD+) (resid 6 and name HA) 2.5 0.7 2.0 
assign (resid 5 and name HD+) (resid 6 and name HG+) 4.0 2.2 2.0 

assign (resid 10 and name HD+) (resid 9 and name HB+) 3.0 1.2 2.0
assign (resid 10 and name HD+) (resid 7 and name HA) 3.0 1.2 2.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           HN       LEU   1   4.840   3.284   2.417
    2    HA   LEU   1           HA       LEU   1   4.579   6.069   2.270
    3    HB2  LEU   1           HB2      LEU   1   7.299   5.198   2.572
    4    HB3  LEU   1           HB1      LEU   1   7.084   5.895   0.966
    5    HG   LEU   1           HG       LEU   1   6.122   7.241   3.503
    6   HD11  LEU   1          HD11      LEU   1   8.515   7.140   3.676
    7   HD12  LEU   1          HD12      LEU   1   8.123   8.754   3.084
    8   HD13  LEU   1          HD13      LEU   1   8.716   7.526   1.967
    9   HD21  LEU   1          HD21      LEU   1   4.959   8.010   1.531
   10   HD22  LEU   1          HD22      LEU   1   6.466   8.118   0.621
   11   HD23  LEU   1          HD23      LEU   1   6.154   9.239   1.946
   12    H    DGL   2           HN       DGL   2   4.147   6.771   0.175
   13    HA   DGL   2           HA       DGL   2   4.812   5.556  -2.223
   14    HB2  DGL   2           HB2      DGL   2   2.251   7.012  -1.521
   15    HB3  DGL   2           HB1      DGL   2   3.741   7.754  -2.101
   16    HG2  DGL   2           HG2      DGL   2   3.564   6.485  -4.206
   17    HG3  DGL   2           HG1      DGL   2   2.081   5.726  -3.631
   18    H    DAR   3           HN       DAR   3   2.481   4.581   0.160
   19    HA   DAR   3           HA       DAR   3   1.956   2.140  -1.370
   20    HB2  DAR   3           HB2      DAR   3  -0.513   3.025  -0.175
   21    HB3  DAR   3           HB1      DAR   3   0.093   4.261  -1.278
   22    HG2  DAR   3           HG2      DAR   3  -1.142   2.867  -2.705
   23    HG3  DAR   3           HG1      DAR   3   0.503   2.265  -2.907
   24    HD2  DAR   3           HD2      DAR   3  -0.786   0.313  -2.571
   25    HD3  DAR   3           HD1      DAR   3  -0.058   0.626  -0.999
   26    HE   DAR   3           HE       DAR   3  -2.573   1.922  -1.155
   27   HH11  DAR   3          HH21      DAR   3  -4.333   1.005  -0.075
   28   HH12  DAR   3          HH22      DAR   3  -4.296  -0.666   0.382
   29   HH21  DAR   3          HH11      DAR   3  -1.142  -1.250  -0.921
   30   HH22  DAR   3          HH12      DAR   3  -2.500  -1.932  -0.096
   31    H    ARG   4           HN       ARG   4   1.627   0.364  -0.072
   32    HA   ARG   4           HA       ARG   4   1.825   0.857   2.835
   33    HB2  ARG   4           HB2      ARG   4   0.086  -1.176   1.421
   34    HB3  ARG   4           HB1      ARG   4   0.402  -1.183   3.156
   35    HG2  ARG   4           HG2      ARG   4  -0.534   1.096   3.337
   36    HG3  ARG   4           HG1      ARG   4  -0.861   1.096   1.603
   37    HD2  ARG   4           HD2      ARG   4  -2.343  -0.860   1.887
   38    HD3  ARG   4           HD1      ARG   4  -2.025  -0.847   3.619
   39    HE   ARG   4           HE       ARG   4  -2.964   1.699   2.863
   40   HH11  ARG   4          HH11      ARG   4  -4.060  -1.601   3.125
   41   HH12  ARG   4          HH12      ARG   4  -5.703  -1.156   3.428
   42   HH21  ARG   4          HH21      ARG   4  -5.119   2.251   3.261
   43   HH22  ARG   4          HH22      ARG   4  -6.302   1.010   3.505
   44    H    TYR   5           HN       TYR   5   3.382  -0.255   3.849
   45    HA   TYR   5           HA       TYR   5   4.477  -2.688   2.636
   46    HB2  TYR   5           HB2      TYR   5   5.796  -0.702   1.793
   47    HB3  TYR   5           HB1      TYR   5   6.279  -0.407   3.463
   48    HD1  TYR   5           HD1      TYR   5   6.493  -2.770   0.626
   49    HD2  TYR   5           HD2      TYR   5   7.837  -1.866   4.605
   50    HE1  TYR   5           HE1      TYR   5   8.270  -4.487   0.416
   51    HE2  TYR   5           HE2      TYR   5   9.613  -3.584   4.395
   52    HH   TYR   5           HH       TYR   5  10.520  -4.939   1.457
   53    HA   DPR   6           HA       DPR   6   4.811  -4.335   6.688
   54    HB2  DPR   6           HB2      DPR   6   2.769  -5.143   7.410
   55    HB3  DPR   6           HB1      DPR   6   1.963  -3.577   7.199
   56    HG2  DPR   6           HG2      DPR   6   2.550  -5.689   5.196
   57    HG3  DPR   6           HG1      DPR   6   1.146  -4.618   5.335
   58    HD2  DPR   6           HD2      DPR   6   3.221  -4.225   3.547
   59    HD3  DPR   6           HD1      DPR   6   2.155  -2.933   4.138
   60    H    ASP   7           HN       ASP   7   6.035  -3.149   8.069
   61    HA   ASP   7           HA       ASP   7   5.177  -0.486   8.891
   62    HB2  ASP   7           HB2      ASP   7   4.111  -2.130  10.487
   63    HB3  ASP   7           HB1      ASP   7   5.738  -2.595  10.981
   64    H    THR   8           HN       THR   8   7.340  -1.283   7.295
   65    HA   THR   8           HA       THR   8   9.637  -0.813   9.100
   66    HB   THR   8           HB       THR   8  11.033  -1.927   7.412
   67    HG1  THR   8           HG1      THR   8   9.566  -1.377   5.661
   68   HG21  THR   8          HG21      THR   8   9.974  -3.245   9.235
   69   HG22  THR   8          HG22      THR   8  10.206  -4.200   7.770
   70   HG23  THR   8          HG23      THR   8   8.606  -3.576   8.172
   71    H    MET   9           HN       MET   9   7.811   0.347   6.414
   72    HA   MET   9           HA       MET   9   9.627   2.643   6.204
   73    HB2  MET   9           HB2      MET   9  10.249   1.085   4.382
   74    HB3  MET   9           HB1      MET   9   8.583   1.116   3.806
   75    HG2  MET   9           HG2      MET   9   9.920   2.695   2.506
   76    HG3  MET   9           HG1      MET   9   8.767   3.583   3.501
   77    HE1  MET   9           HE1      MET   9  12.154   2.462   2.715
   78    HE2  MET   9           HE2      MET   9  12.401   1.906   4.368
   79    HE3  MET   9           HE3      MET   9  13.287   3.308   3.777
   80    H    TYR  10           HN       TYR  10   6.656   1.338   4.711
   81    HA   TYR  10           HA       TYR  10   4.586   2.273   4.373
   82    HB2  TYR  10           HB2      TYR  10   5.299   2.804   7.036
   83    HB3  TYR  10           HB1      TYR  10   4.662   4.324   6.408
   84    HD1  TYR  10           HD1      TYR  10   2.355   4.648   6.441
   85    HD2  TYR  10           HD2      TYR  10   3.911   0.647   6.303
   86    HE1  TYR  10           HE1      TYR  10   0.049   3.747   6.593
   87    HE2  TYR  10           HE2      TYR  10   1.605  -0.255   6.455
   88    HH   TYR  10           HH       TYR  10  -0.941   1.379   7.496
  Start of MODEL    2
    1    H1   LEU   1           HN       LEU   1   3.592   4.409   4.493
    2    HA   LEU   1           HA       LEU   1   2.902   5.775   2.779
    3    HB2  LEU   1           HB2      LEU   1   5.060   7.167   4.019
    4    HB3  LEU   1           HB1      LEU   1   5.216   7.363   2.273
    5    HG   LEU   1           HG       LEU   1   2.788   8.005   2.192
    6   HD11  LEU   1          HD11      LEU   1   3.139   7.815   5.192
    7   HD12  LEU   1          HD12      LEU   1   1.940   6.996   4.192
    8   HD13  LEU   1          HD13      LEU   1   1.838   8.738   4.442
    9   HD21  LEU   1          HD21      LEU   1   4.731   9.648   2.374
   10   HD22  LEU   1          HD22      LEU   1   4.371   9.748   4.097
   11   HD23  LEU   1          HD23      LEU   1   3.168  10.262   2.914
   12    H    DGL   2           HN       DGL   2   3.714   6.601   0.509
   13    HA   DGL   2           HA       DGL   2   5.822   5.371  -0.841
   14    HB2  DGL   2           HB2      DGL   2   4.445   7.268  -1.709
   15    HB3  DGL   2           HB1      DGL   2   4.678   5.974  -2.884
   16    HG2  DGL   2           HG2      DGL   2   2.470   5.069  -2.388
   17    HG3  DGL   2           HG1      DGL   2   2.236   6.260  -1.110
   18    H    DAR   3           HN       DAR   3   2.594   4.187  -0.107
   19    HA   DAR   3           HA       DAR   3   3.351   1.587  -1.302
   20    HB2  DAR   3           HB2      DAR   3   0.526   1.764  -1.138
   21    HB3  DAR   3           HB1      DAR   3   1.091   3.264  -1.873
   22    HG2  DAR   3           HG2      DAR   3   0.934   1.891  -3.745
   23    HG3  DAR   3           HG1      DAR   3   2.619   1.643  -3.289
   24    HD2  DAR   3           HD2      DAR   3   0.506  -0.132  -2.111
   25    HD3  DAR   3           HD1      DAR   3   1.060  -0.431  -3.756
   26    HE   DAR   3           HE       DAR   3   3.343  -0.153  -2.182
   27   HH11  DAR   3          HH21      DAR   3   4.420  -1.965  -1.368
   28   HH12  DAR   3          HH22      DAR   3   3.576  -3.468  -1.189
   29   HH21  DAR   3          HH11      DAR   3   0.566  -2.251  -2.390
   30   HH22  DAR   3          HH12      DAR   3   1.409  -3.625  -1.765
   31    H    ARG   4           HN       ARG   4   1.441  -0.035  -0.349
   32    HA   ARG   4           HA       ARG   4   1.416   0.345   2.577
   33    HB2  ARG   4           HB2      ARG   4  -0.436  -0.924   0.642
   34    HB3  ARG   4           HB1      ARG   4  -0.237  -1.754   2.186
   35    HG2  ARG   4           HG2      ARG   4  -2.028  -0.209   2.515
   36    HG3  ARG   4           HG1      ARG   4  -0.623   0.514   3.298
   37    HD2  ARG   4           HD2      ARG   4  -1.704   2.234   1.990
   38    HD3  ARG   4           HD1      ARG   4  -0.197   1.808   1.185
   39    HE   ARG   4           HE       ARG   4  -2.328   0.233   0.160
   40   HH11  ARG   4          HH11      ARG   4  -1.033   3.471   0.132
   41   HH12  ARG   4          HH12      ARG   4  -1.671   3.839  -1.432
   42   HH21  ARG   4          HH21      ARG   4  -3.149   0.742  -1.882
   43   HH22  ARG   4          HH22      ARG   4  -2.862   2.306  -2.567
   44    H    TYR   5           HN       TYR   5   3.361  -0.475   3.223
   45    HA   TYR   5           HA       TYR   5   3.795  -3.351   2.709
   46    HB2  TYR   5           HB2      TYR   5   5.331  -1.927   1.322
   47    HB3  TYR   5           HB1      TYR   5   6.001  -1.286   2.822
   48    HD1  TYR   5           HD1      TYR   5   5.608  -4.316   0.737
   49    HD2  TYR   5           HD2      TYR   5   7.424  -2.630   4.245
   50    HE1  TYR   5           HE1      TYR   5   7.087  -6.298   0.924
   51    HE2  TYR   5           HE2      TYR   5   8.903  -4.611   4.432
   52    HH   TYR   5           HH       TYR   5   8.358  -7.466   2.857
   53    HA   DPR   6           HA       DPR   6   4.366  -4.093   7.002
   54    HB2  DPR   6           HB2      DPR   6   2.326  -4.453   8.027
   55    HB3  DPR   6           HB1      DPR   6   1.672  -2.892   7.498
   56    HG2  DPR   6           HG2      DPR   6   1.862  -5.463   6.023
   57    HG3  DPR   6           HG1      DPR   6   0.588  -4.232   5.995
   58    HD2  DPR   6           HD2      DPR   6   2.519  -4.501   4.033
   59    HD3  DPR   6           HD1      DPR   6   1.649  -2.991   4.374
   60    H    ASP   7           HN       ASP   7   5.760  -2.845   8.125
   61    HA   ASP   7           HA       ASP   7   5.307   0.040   8.313
   62    HB2  ASP   7           HB2      ASP   7   4.172  -0.998  10.287
   63    HB3  ASP   7           HB1      ASP   7   5.729  -1.658  10.781
   64    H    THR   8           HN       THR   8   7.220  -1.023   6.765
   65    HA   THR   8           HA       THR   8   9.698  -0.722   8.356
   66    HB   THR   8           HB       THR   8  10.817  -2.121   6.676
   67    HG1  THR   8           HG1      THR   8   9.861  -2.350   4.842
   68   HG21  THR   8          HG21      THR   8   9.751  -4.247   7.267
   69   HG22  THR   8          HG22      THR   8   8.283  -3.395   7.745
   70   HG23  THR   8          HG23      THR   8   9.770  -3.172   8.665
   71    H    MET   9           HN       MET   9   7.806   0.402   5.692
   72    HA   MET   9           HA       MET   9   9.994   2.243   4.931
   73    HB2  MET   9           HB2      MET   9   7.835   0.994   3.226
   74    HB3  MET   9           HB1      MET   9   8.837   2.342   2.690
   75    HG2  MET   9           HG2      MET   9  10.865   0.935   3.209
   76    HG3  MET   9           HG1      MET   9   9.776  -0.422   3.497
   77    HE1  MET   9           HE1      MET   9   8.410  -1.576   1.960
   78    HE2  MET   9           HE2      MET   9   8.222  -1.310   0.228
   79    HE3  MET   9           HE3      MET   9   7.483  -0.190   1.369
   80    H    TYR  10           HN       TYR  10   6.497   1.839   5.312
   81    HA   TYR  10           HA       TYR  10   4.843   3.331   5.865
   82    HB2  TYR  10           HB2      TYR  10   7.222   4.349   7.119
   83    HB3  TYR  10           HB1      TYR  10   6.233   5.692   6.548
   84    HD1  TYR  10           HD1      TYR  10   4.756   6.517   8.139
   85    HD2  TYR  10           HD2      TYR  10   5.585   2.303   8.039
   86    HE1  TYR  10           HE1      TYR  10   3.182   6.163  10.024
   87    HE2  TYR  10           HE2      TYR  10   4.011   1.950   9.923
   88    HH   TYR  10           HH       TYR  10   2.996   4.245  11.926
  Start of MODEL    3
    1    H1   LEU   1           HN       LEU   1   6.559   2.895   3.553
    2    HA   LEU   1           HA       LEU   1   7.781   4.720   1.888
    3    HB2  LEU   1           HB2      LEU   1   7.929   2.326   1.497
    4    HB3  LEU   1           HB1      LEU   1   6.209   2.244   1.130
    5    HG   LEU   1           HG       LEU   1   6.560   3.739  -0.816
    6   HD11  LEU   1          HD11      LEU   1   9.443   3.584   0.105
    7   HD12  LEU   1          HD12      LEU   1   8.457   5.034  -0.095
    8   HD13  LEU   1          HD13      LEU   1   8.973   4.116  -1.510
    9   HD21  LEU   1          HD21      LEU   1   7.997   2.119  -2.147
   10   HD22  LEU   1          HD22      LEU   1   6.654   1.382  -1.275
   11   HD23  LEU   1          HD23      LEU   1   8.293   1.262  -0.636
   12    H    DGL   2           HN       DGL   2   4.663   3.363   0.868
   13    HA   DGL   2           HA       DGL   2   4.012   5.786  -0.550
   14    HB2  DGL   2           HB2      DGL   2   1.997   5.047   1.538
   15    HB3  DGL   2           HB1      DGL   2   3.371   6.053   1.997
   16    HG2  DGL   2           HG2      DGL   2   1.572   7.525   1.339
   17    HG3  DGL   2           HG1      DGL   2   2.802   7.579   0.079
   18    H    DAR   3           HN       DAR   3   2.616   2.835   0.888
   19    HA   DAR   3           HA       DAR   3   2.031   1.650  -1.616
   20    HB2  DAR   3           HB2      DAR   3   0.323   3.488  -1.628
   21    HB3  DAR   3           HB1      DAR   3  -0.371   1.870  -1.705
   22    HG2  DAR   3           HG2      DAR   3  -0.835   1.924   0.702
   23    HG3  DAR   3           HG1      DAR   3  -0.078   3.512   0.829
   24    HD2  DAR   3           HD2      DAR   3  -1.766   4.442  -0.705
   25    HD3  DAR   3           HD1      DAR   3  -2.516   2.855  -0.847
   26    HE   DAR   3           HE       DAR   3  -2.391   3.527   1.881
   27   HH11  DAR   3          HH21      DAR   3  -4.232   4.320   2.923
   28   HH12  DAR   3          HH22      DAR   3  -5.516   5.026   2.000
   29   HH21  DAR   3          HH11      DAR   3  -3.960   4.557  -1.058
   30   HH22  DAR   3          HH12      DAR   3  -5.360   5.157  -0.240
   31    H    ARG   4           HN       ARG   4   1.373   1.914   1.819
   32    HA   ARG   4           HA       ARG   4   1.201   0.306   3.449
   33    HB2  ARG   4           HB2      ARG   4  -1.011   0.121   2.040
   34    HB3  ARG   4           HB1      ARG   4  -0.323  -1.420   1.530
   35    HG2  ARG   4           HG2      ARG   4  -1.657  -1.898   3.457
   36    HG3  ARG   4           HG1      ARG   4   0.020  -1.942   4.002
   37    HD2  ARG   4           HD2      ARG   4  -0.151   0.229   4.996
   38    HD3  ARG   4           HD1      ARG   4  -1.690   0.546   4.200
   39    HE   ARG   4           HE       ARG   4  -2.025  -1.734   5.785
   40   HH11  ARG   4          HH11      ARG   4  -1.288   1.653   6.171
   41   HH12  ARG   4          HH12      ARG   4  -2.010   1.753   7.739
   42   HH21  ARG   4          HH21      ARG   4  -2.960  -1.574   7.836
   43   HH22  ARG   4          HH22      ARG   4  -2.952  -0.060   8.678
   44    H    TYR   5           HN       TYR   5   3.393  -0.290   3.487
   45    HA   TYR   5           HA       TYR   5   3.941  -2.911   2.235
   46    HB2  TYR   5           HB2      TYR   5   5.119  -1.016   1.067
   47    HB3  TYR   5           HB1      TYR   5   5.978  -0.703   2.575
   48    HD1  TYR   5           HD1      TYR   5   7.743  -2.153   3.342
   49    HD2  TYR   5           HD2      TYR   5   5.427  -3.177  -0.128
   50    HE1  TYR   5           HE1      TYR   5   9.367  -3.943   2.786
   51    HE2  TYR   5           HE2      TYR   5   7.051  -4.966  -0.684
   52    HH   TYR   5           HH       TYR   5   8.896  -6.387   1.086
   53    HA   DPR   6           HA       DPR   6   5.120  -4.612   6.103
   54    HB2  DPR   6           HB2      DPR   6   3.262  -5.286   7.299
   55    HB3  DPR   6           HB1      DPR   6   2.521  -3.674   7.250
   56    HG2  DPR   6           HG2      DPR   6   2.526  -5.819   5.196
   57    HG3  DPR   6           HG1      DPR   6   1.245  -4.678   5.639
   58    HD2  DPR   6           HD2      DPR   6   2.875  -4.389   3.422
   59    HD3  DPR   6           HD1      DPR   6   2.038  -3.045   4.227
   60    H    ASP   7           HN       ASP   7   3.960  -1.324   6.026
   61    HA   ASP   7           HA       ASP   7   4.702   0.563   7.114
   62    HB2  ASP   7           HB2      ASP   7   3.130  -0.521   8.778
   63    HB3  ASP   7           HB1      ASP   7   4.556  -1.181   9.575
   64    H    THR   8           HN       THR   8   6.791  -0.968   6.006
   65    HA   THR   8           HA       THR   8   8.892  -1.412   7.888
   66    HB   THR   8           HB       THR   8  10.334  -1.570   5.889
   67    HG1  THR   8           HG1      THR   8   7.981  -0.625   4.635
   68   HG21  THR   8          HG21      THR   8   8.948  -3.360   4.708
   69   HG22  THR   8          HG22      THR   8   7.642  -2.941   5.816
   70   HG23  THR   8          HG23      THR   8   9.164  -3.571   6.445
   71    H    MET   9           HN       MET   9   7.796   1.337   6.029
   72    HA   MET   9           HA       MET   9   9.255   3.180   7.636
   73    HB2  MET   9           HB2      MET   9  10.771   4.061   5.927
   74    HB3  MET   9           HB1      MET   9  11.128   2.364   6.246
   75    HG2  MET   9           HG2      MET   9   9.800   1.711   4.270
   76    HG3  MET   9           HG1      MET   9   9.448   3.409   3.947
   77    HE1  MET   9           HE1      MET   9  12.155   5.007   4.462
   78    HE2  MET   9           HE2      MET   9  10.863   5.098   3.267
   79    HE3  MET   9           HE3      MET   9  12.540   5.010   2.734
   80    H    TYR  10           HN       TYR  10   6.572   2.587   6.420
   81    HA   TYR  10           HA       TYR  10   4.810   3.707   5.451
   82    HB2  TYR  10           HB2      TYR  10   6.400   6.070   6.482
   83    HB3  TYR  10           HB1      TYR  10   4.714   6.128   5.969
   84    HD1  TYR  10           HD1      TYR  10   2.963   4.939   7.247
   85    HD2  TYR  10           HD2      TYR  10   7.048   5.039   8.574
   86    HE1  TYR  10           HE1      TYR  10   2.252   4.175   9.497
   87    HE2  TYR  10           HE2      TYR  10   6.335   4.276  10.824
   88    HH   TYR  10           HH       TYR  10   4.244   4.338  12.208
  Start of MODEL    4
    1    H1   LEU   1           HN       LEU   1   5.578   4.522   3.712
    2    HA   LEU   1           HA       LEU   1   4.649   7.113   3.060
    3    HB2  LEU   1           HB2      LEU   1   7.397   7.037   3.043
    4    HB3  LEU   1           HB1      LEU   1   7.004   6.686   1.360
    5    HG   LEU   1           HG       LEU   1   5.629   8.946   2.798
    6   HD11  LEU   1          HD11      LEU   1   7.366  10.474   2.078
    7   HD12  LEU   1          HD12      LEU   1   8.242   9.169   1.277
    8   HD13  LEU   1          HD13      LEU   1   8.123   9.201   3.036
    9   HD21  LEU   1          HD21      LEU   1   4.715   8.294   0.645
   10   HD22  LEU   1          HD22      LEU   1   6.319   8.310  -0.087
   11   HD23  LEU   1          HD23      LEU   1   5.575   9.819   0.438
   12    H    DGL   2           HN       DGL   2   6.480   4.543   1.383
   13    HA   DGL   2           HA       DGL   2   5.940   3.182  -0.378
   14    HB2  DGL   2           HB2      DGL   2   4.428   4.149  -2.123
   15    HB3  DGL   2           HB1      DGL   2   4.146   5.521  -1.056
   16    HG2  DGL   2           HG2      DGL   2   5.909   6.265  -2.423
   17    HG3  DGL   2           HG1      DGL   2   6.731   5.715  -0.965
   18    H    DAR   3           HN       DAR   3   4.347   3.173   2.194
   19    HA   DAR   3           HA       DAR   3   1.657   2.639   1.826
   20    HB2  DAR   3           HB2      DAR   3   2.521   0.741   3.694
   21    HB3  DAR   3           HB1      DAR   3   3.665   2.075   3.840
   22    HG2  DAR   3           HG2      DAR   3   2.013   2.863   5.243
   23    HG3  DAR   3           HG1      DAR   3   1.415   3.517   3.718
   24    HD2  DAR   3           HD2      DAR   3  -0.058   1.584   3.434
   25    HD3  DAR   3           HD1      DAR   3   0.574   0.858   4.908
   26    HE   DAR   3           HE       DAR   3  -1.342   3.028   4.724
   27   HH11  DAR   3          HH21      DAR   3  -2.232   3.717   6.681
   28   HH12  DAR   3          HH22      DAR   3  -1.501   3.246   8.180
   29   HH21  DAR   3          HH11      DAR   3   1.026   1.399   6.704
   30   HH22  DAR   3          HH12      DAR   3   0.329   1.943   8.190
   31    H    ARG   4           HN       ARG   4   0.693   0.347   2.136
   32    HA   ARG   4           HA       ARG   4   0.230  -1.710   1.228
   33    HB2  ARG   4           HB2      ARG   4   0.456  -0.163  -0.853
   34    HB3  ARG   4           HB1      ARG   4   1.983  -1.007  -1.107
   35    HG2  ARG   4           HG2      ARG   4   0.849  -3.153  -1.185
   36    HG3  ARG   4           HG1      ARG   4  -0.685  -2.401  -0.747
   37    HD2  ARG   4           HD2      ARG   4   0.893  -1.789  -3.261
   38    HD3  ARG   4           HD1      ARG   4  -0.521  -2.836  -3.187
   39    HE   ARG   4           HE       ARG   4  -1.263  -0.388  -2.071
   40   HH11  ARG   4          HH11      ARG   4  -0.159  -1.637  -5.134
   41   HH12  ARG   4          HH12      ARG   4  -1.002  -0.443  -6.059
   42   HH21  ARG   4          HH21      ARG   4  -2.354   1.159  -3.305
   43   HH22  ARG   4          HH22      ARG   4  -2.237   1.130  -5.033
   44    H    TYR   5           HN       TYR   5   2.915  -1.115   2.679
   45    HA   TYR   5           HA       TYR   5   4.034  -3.777   2.180
   46    HB2  TYR   5           HB2      TYR   5   5.309  -2.103   0.789
   47    HB3  TYR   5           HB1      TYR   5   5.791  -1.321   2.295
   48    HD1  TYR   5           HD1      TYR   5   7.403  -2.332   3.782
   49    HD2  TYR   5           HD2      TYR   5   6.040  -4.418   0.285
   50    HE1  TYR   5           HE1      TYR   5   9.221  -3.995   4.066
   51    HE2  TYR   5           HE2      TYR   5   7.858  -6.081   0.568
   52    HH   TYR   5           HH       TYR   5  10.057  -6.234   1.631
   53    HA   DPR   6           HA       DPR   6   4.540  -4.166   6.522
   54    HB2  DPR   6           HB2      DPR   6   2.599  -4.986   7.459
   55    HB3  DPR   6           HB1      DPR   6   1.632  -3.609   6.899
   56    HG2  DPR   6           HG2      DPR   6   2.423  -6.081   5.455
   57    HG3  DPR   6           HG1      DPR   6   0.910  -5.163   5.383
   58    HD2  DPR   6           HD2      DPR   6   2.864  -5.007   3.457
   59    HD3  DPR   6           HD1      DPR   6   1.724  -3.690   3.805
   60    H    ASP   7           HN       ASP   7   5.588  -2.547   7.559
   61    HA   ASP   7           HA       ASP   7   4.475   0.148   7.596
   62    HB2  ASP   7           HB2      ASP   7   3.470  -1.076   9.561
   63    HB3  ASP   7           HB1      ASP   7   5.104  -1.254  10.198
   64    H    THR   8           HN       THR   8   6.743  -0.724   6.289
   65    HA   THR   8           HA       THR   8   8.921   0.349   7.985
   66    HB   THR   8           HB       THR   8  10.477  -0.951   6.591
   67    HG1  THR   8           HG1      THR   8   8.086  -1.902   5.397
   68   HG21  THR   8          HG21      THR   8   9.676  -2.029   8.599
   69   HG22  THR   8          HG22      THR   8   9.702  -3.237   7.314
   70   HG23  THR   8          HG23      THR   8   8.175  -2.502   7.803
   71    H    MET   9           HN       MET   9   7.207   0.521   4.960
   72    HA   MET   9           HA       MET   9   9.034   2.191   3.558
   73    HB2  MET   9           HB2      MET   9   6.060   1.737   3.260
   74    HB3  MET   9           HB1      MET   9   7.000   2.749   2.165
   75    HG2  MET   9           HG2      MET   9   7.634  -0.156   2.754
   76    HG3  MET   9           HG1      MET   9   6.719   0.391   1.350
   77    HE1  MET   9           HE1      MET   9   8.726  -0.706  -0.464
   78    HE2  MET   9           HE2      MET   9   8.874  -1.388   1.154
   79    HE3  MET   9           HE3      MET   9  10.313  -0.822   0.310
   80    H    TYR  10           HN       TYR  10   6.304   2.829   5.706
   81    HA   TYR  10           HA       TYR  10   5.522   4.764   6.665
   82    HB2  TYR  10           HB2      TYR  10   8.452   5.482   6.420
   83    HB3  TYR  10           HB1      TYR  10   7.275   6.389   7.369
   84    HD1  TYR  10           HD1      TYR  10   9.560   3.639   7.366
   85    HD2  TYR  10           HD2      TYR  10   5.919   5.061   9.144
   86    HE1  TYR  10           HE1      TYR  10   9.867   2.062   9.255
   87    HE2  TYR  10           HE2      TYR  10   6.227   3.486  11.035
   88    HH   TYR  10           HH       TYR  10   9.152   1.854  11.608
  Start of MODEL    5
    1    H1   LEU   1           HN       LEU   1   6.687   2.360   2.187
    2    HA   LEU   1           HA       LEU   1   7.098   4.566   0.259
    3    HB2  LEU   1           HB2      LEU   1   5.937   2.100  -0.224
    4    HB3  LEU   1           HB1      LEU   1   4.548   3.152   0.052
    5    HG   LEU   1           HG       LEU   1   6.799   4.023  -1.751
    6   HD11  LEU   1          HD11      LEU   1   5.691   3.043  -3.647
    7   HD12  LEU   1          HD12      LEU   1   4.327   2.525  -2.656
    8   HD13  LEU   1          HD13      LEU   1   5.903   1.757  -2.458
    9   HD21  LEU   1          HD21      LEU   1   5.029   5.413  -2.719
   10   HD22  LEU   1          HD22      LEU   1   5.079   5.657  -0.973
   11   HD23  LEU   1          HD23      LEU   1   3.827   4.640  -1.687
   12    H    DGL   2           HN       DGL   2   4.408   3.203   2.179
   13    HA   DGL   2           HA       DGL   2   3.648   5.965   2.891
   14    HB2  DGL   2           HB2      DGL   2   3.061   5.100   5.176
   15    HB3  DGL   2           HB1      DGL   2   3.886   3.598   4.756
   16    HG2  DGL   2           HG2      DGL   2   5.960   4.876   4.304
   17    HG3  DGL   2           HG1      DGL   2   5.135   6.359   4.777
   18    H    DAR   3           HN       DAR   3   2.610   2.548   2.875
   19    HA   DAR   3           HA       DAR   3   0.158   3.184   1.554
   20    HB2  DAR   3           HB2      DAR   3  -0.579   2.053   4.151
   21    HB3  DAR   3           HB1      DAR   3   0.072   3.688   4.262
   22    HG2  DAR   3           HG2      DAR   3  -2.259   3.986   3.906
   23    HG3  DAR   3           HG1      DAR   3  -1.521   4.274   2.330
   24    HD2  DAR   3           HD2      DAR   3  -2.400   1.498   3.051
   25    HD3  DAR   3           HD1      DAR   3  -3.603   2.674   2.533
   26    HE   DAR   3           HE       DAR   3  -1.532   2.779   0.673
   27   HH11  DAR   3          HH21      DAR   3  -1.652   1.628  -1.268
   28   HH12  DAR   3          HH22      DAR   3  -2.693   0.247  -1.394
   29   HH21  DAR   3          HH11      DAR   3  -3.846   0.459   1.864
   30   HH22  DAR   3          HH12      DAR   3  -3.925  -0.408   0.369
   31    H    ARG   4           HN       ARG   4   2.516   1.214   1.730
   32    HA   ARG   4           HA       ARG   4   1.107  -1.321   2.090
   33    HB2  ARG   4           HB2      ARG   4   1.630  -2.093  -0.180
   34    HB3  ARG   4           HB1      ARG   4   0.582  -0.676  -0.227
   35    HG2  ARG   4           HG2      ARG   4   2.507   0.772  -0.662
   36    HG3  ARG   4           HG1      ARG   4   3.598  -0.609  -0.536
   37    HD2  ARG   4           HD2      ARG   4   1.355  -0.391  -2.560
   38    HD3  ARG   4           HD1      ARG   4   3.037   0.001  -2.902
   39    HE   ARG   4           HE       ARG   4   3.009  -2.579  -1.841
   40   HH11  ARG   4          HH11      ARG   4   1.746  -0.883  -4.614
   41   HH12  ARG   4          HH12      ARG   4   1.786  -2.279  -5.635
   42   HH21  ARG   4          HH21      ARG   4   3.052  -4.385  -3.197
   43   HH22  ARG   4          HH22      ARG   4   2.520  -4.250  -4.840
   44    H    TYR   5           HN       TYR   5   2.596  -3.194   1.680
   45    HA   TYR   5           HA       TYR   5   4.537  -4.324   2.155
   46    HB2  TYR   5           HB2      TYR   5   5.316  -2.811   0.234
   47    HB3  TYR   5           HB1      TYR   5   6.038  -1.798   1.483
   48    HD1  TYR   5           HD1      TYR   5   7.985  -2.512   2.717
   49    HD2  TYR   5           HD2      TYR   5   6.071  -5.157  -0.075
   50    HE1  TYR   5           HE1      TYR   5   9.926  -4.051   2.843
   51    HE2  TYR   5           HE2      TYR   5   8.012  -6.695   0.051
   52    HH   TYR   5           HH       TYR   5  10.289  -6.587   2.442
   53    HA   DPR   6           HA       DPR   6   5.637  -3.121   6.249
   54    HB2  DPR   6           HB2      DPR   6   4.493  -5.025   6.881
   55    HB3  DPR   6           HB1      DPR   6   3.482  -3.835   7.724
   56    HG2  DPR   6           HG2      DPR   6   2.491  -5.573   5.920
   57    HG3  DPR   6           HG1      DPR   6   1.810  -3.960   6.182
   58    HD2  DPR   6           HD2      DPR   6   3.266  -4.981   3.845
   59    HD3  DPR   6           HD1      DPR   6   2.298  -3.499   4.002
   60    H    ASP   7           HN       ASP   7   4.344  -0.902   4.683
   61    HA   ASP   7           HA       ASP   7   3.734   1.278   5.080
   62    HB2  ASP   7           HB2      ASP   7   1.556   0.029   5.433
   63    HB3  ASP   7           HB1      ASP   7   1.889   0.098   7.162
   64    H    THR   8           HN       THR   8   6.027   0.409   6.464
   65    HA   THR   8           HA       THR   8   5.791   1.915   9.000
   66    HB   THR   8           HB       THR   8   7.762  -0.285   8.339
   67    HG1  THR   8           HG1      THR   8   5.397  -0.233   9.897
   68   HG21  THR   8          HG21      THR   8   7.224   1.398  10.789
   69   HG22  THR   8          HG22      THR   8   8.752   1.163   9.941
   70   HG23  THR   8          HG23      THR   8   8.057  -0.153  10.885
   71    H    MET   9           HN       MET   9   8.355   0.876   6.741
   72    HA   MET   9           HA       MET   9   9.170   3.669   6.398
   73    HB2  MET   9           HB2      MET   9  10.955   1.495   7.503
   74    HB3  MET   9           HB1      MET   9  11.576   2.987   6.799
   75    HG2  MET   9           HG2      MET   9  10.380   4.320   8.446
   76    HG3  MET   9           HG1      MET   9   9.603   2.880   9.098
   77    HE1  MET   9           HE1      MET   9  13.564   3.406   8.044
   78    HE2  MET   9           HE2      MET   9  13.862   4.370   9.489
   79    HE3  MET   9           HE3      MET   9  12.591   4.847   8.366
   80    H    TYR  10           HN       TYR  10   8.134   2.986   4.310
   81    HA   TYR  10           HA       TYR  10  10.225   2.109   2.476
   82    HB2  TYR  10           HB2      TYR  10   7.556   0.688   2.661
   83    HB3  TYR  10           HB1      TYR  10   8.745   0.452   1.380
   84    HD1  TYR  10           HD1      TYR  10  10.949  -0.569   1.878
   85    HD2  TYR  10           HD2      TYR  10   7.889  -0.226   4.873
   86    HE1  TYR  10           HE1      TYR  10  12.150  -2.212   3.294
   87    HE2  TYR  10           HE2      TYR  10   9.091  -1.868   6.289
   88    HH   TYR  10           HH       TYR  10  11.509  -3.853   5.150
  Start of MODEL    6
    1    H1   LEU   1           HN       LEU   1   7.168   5.341   2.520
    2    HA   LEU   1           HA       LEU   1   4.442   4.711   3.286
    3    HB2  LEU   1           HB2      LEU   1   5.555   6.934   4.470
    4    HB3  LEU   1           HB1      LEU   1   4.768   7.615   3.046
    5    HG   LEU   1           HG       LEU   1   2.701   6.277   3.701
    6   HD11  LEU   1          HD11      LEU   1   3.613   4.660   5.207
    7   HD12  LEU   1          HD12      LEU   1   2.651   5.750   6.203
    8   HD13  LEU   1          HD13      LEU   1   4.409   5.903   6.171
    9   HD21  LEU   1          HD21      LEU   1   3.661   8.340   5.710
   10   HD22  LEU   1          HD22      LEU   1   1.985   7.949   5.324
   11   HD23  LEU   1          HD23      LEU   1   3.007   8.732   4.119
   12    H    DGL   2           HN       DGL   2   3.164   4.663   1.529
   13    HA   DGL   2           HA       DGL   2   4.293   5.684  -0.995
   14    HB2  DGL   2           HB2      DGL   2   1.809   6.230  -1.578
   15    HB3  DGL   2           HB1      DGL   2   1.590   6.278   0.171
   16    HG2  DGL   2           HG2      DGL   2   3.870   7.782  -1.082
   17    HG3  DGL   2           HG1      DGL   2   2.250   8.474  -1.114
   18    H    DAR   3           HN       DAR   3   2.377   3.335   0.714
   19    HA   DAR   3           HA       DAR   3   2.788   1.319  -1.222
   20    HB2  DAR   3           HB2      DAR   3   1.138   2.616  -2.519
   21    HB3  DAR   3           HB1      DAR   3   0.492   1.044  -2.051
   22    HG2  DAR   3           HG2      DAR   3  -0.654   2.098  -0.125
   23    HG3  DAR   3           HG1      DAR   3  -0.033   3.669  -0.628
   24    HD2  DAR   3           HD2      DAR   3  -1.199   3.414  -2.803
   25    HD3  DAR   3           HD1      DAR   3  -1.860   1.877  -2.250
   26    HE   DAR   3           HE       DAR   3  -2.512   3.860  -0.360
   27   HH11  DAR   3          HH21      DAR   3  -4.589   4.750  -0.354
   28   HH12  DAR   3          HH22      DAR   3  -5.578   4.651  -1.772
   29   HH21  DAR   3          HH11      DAR   3  -3.220   2.952  -3.652
   30   HH22  DAR   3          HH12      DAR   3  -4.806   3.639  -3.626
   31    H    ARG   4           HN       ARG   4   0.724  -0.399  -0.776
   32    HA   ARG   4           HA       ARG   4   0.303  -0.507   2.129
   33    HB2  ARG   4           HB2      ARG   4  -0.868  -2.175  -0.111
   34    HB3  ARG   4           HB1      ARG   4  -1.274  -2.343   1.598
   35    HG2  ARG   4           HG2      ARG   4  -2.170  -0.099   1.673
   36    HG3  ARG   4           HG1      ARG   4  -1.593   0.236   0.041
   37    HD2  ARG   4           HD2      ARG   4  -3.619  -1.907   0.733
   38    HD3  ARG   4           HD1      ARG   4  -4.032  -0.309   0.120
   39    HE   ARG   4           HE       ARG   4  -2.191  -1.429  -1.662
   40   HH11  ARG   4          HH11      ARG   4  -5.412  -2.047  -0.477
   41   HH12  ARG   4          HH12      ARG   4  -5.933  -2.806  -1.940
   42   HH21  ARG   4          HH21      ARG   4  -2.899  -2.423  -3.563
   43   HH22  ARG   4          HH22      ARG   4  -4.523  -3.019  -3.678
   44    H    TYR   5           HN       TYR   5   2.379  -1.111   2.806
   45    HA   TYR   5           HA       TYR   5   2.955  -3.959   2.445
   46    HB2  TYR   5           HB2      TYR   5   4.309  -2.649   0.751
   47    HB3  TYR   5           HB1      TYR   5   5.126  -1.882   2.112
   48    HD1  TYR   5           HD1      TYR   5   4.512  -5.098   0.381
   49    HD2  TYR   5           HD2      TYR   5   6.721  -3.081   3.465
   50    HE1  TYR   5           HE1      TYR   5   6.016  -7.060   0.588
   51    HE2  TYR   5           HE2      TYR   5   8.225  -5.043   3.671
   52    HH   TYR   5           HH       TYR   5   7.510  -8.046   2.400
   53    HA   DPR   6           HA       DPR   6   3.753  -4.099   6.750
   54    HB2  DPR   6           HB2      DPR   6   1.783  -4.099   7.961
   55    HB3  DPR   6           HB1      DPR   6   1.226  -2.574   7.245
   56    HG2  DPR   6           HG2      DPR   6   1.054  -5.339   6.180
   57    HG3  DPR   6           HG1      DPR   6  -0.092  -3.997   6.038
   58    HD2  DPR   6           HD2      DPR   6   1.657  -4.772   4.031
   59    HD3  DPR   6           HD1      DPR   6   0.935  -3.154   4.164
   60    H    ASP   7           HN       ASP   7   5.160  -2.880   7.875
   61    HA   ASP   7           HA       ASP   7   5.184   0.022   7.467
   62    HB2  ASP   7           HB2      ASP   7   3.822  -0.368   9.506
   63    HB3  ASP   7           HB1      ASP   7   5.178  -1.235  10.222
   64    H    THR   8           HN       THR   8   7.164   0.124   6.526
   65    HA   THR   8           HA       THR   8   9.436  -0.876   8.118
   66    HB   THR   8           HB       THR   8   9.201  -2.491   6.361
   67    HG1  THR   8           HG1      THR   8  11.129  -0.652   5.421
   68   HG21  THR   8          HG21      THR   8   9.104  -0.132   4.461
   69   HG22  THR   8          HG22      THR   8   7.737  -1.157   4.892
   70   HG23  THR   8          HG23      THR   8   9.094  -1.831   3.992
   71    H    MET   9           HN       MET   9   8.874   1.609   8.549
   72    HA   MET   9           HA       MET   9   9.535   3.807   8.355
   73    HB2  MET   9           HB2      MET   9  12.023   2.506   7.227
   74    HB3  MET   9           HB1      MET   9  11.916   4.116   7.935
   75    HG2  MET   9           HG2      MET   9  11.310   1.530   9.398
   76    HG3  MET   9           HG1      MET   9  12.800   2.458   9.556
   77    HE1  MET   9           HE1      MET   9  10.755   1.603  11.950
   78    HE2  MET   9           HE2      MET   9  11.004   3.042  12.936
   79    HE3  MET   9           HE3      MET   9  12.366   2.324  12.079
   80    H    TYR  10           HN       TYR  10   7.898   3.108   6.241
   81    HA   TYR  10           HA       TYR  10   8.895   4.920   4.187
   82    HB2  TYR  10           HB2      TYR  10   9.067   3.447   2.461
   83    HB3  TYR  10           HB1      TYR  10   9.384   2.291   3.757
   84    HD1  TYR  10           HD1      TYR  10   7.123   3.270   1.114
   85    HD2  TYR  10           HD2      TYR  10   7.437   0.980   4.735
   86    HE1  TYR  10           HE1      TYR  10   5.072   2.019   0.500
   87    HE2  TYR  10           HE2      TYR  10   5.386  -0.272   4.120
   88    HH   TYR  10           HH       TYR  10   4.072  -0.243   1.039
  Start of MODEL    7
    1    H1   LEU   1           HN       LEU   1   5.017   3.947   3.195
    2    HA   LEU   1           HA       LEU   1   3.845   6.484   2.747
    3    HB2  LEU   1           HB2      LEU   1   5.840   7.339   3.872
    4    HB3  LEU   1           HB1      LEU   1   6.873   6.424   2.776
    5    HG   LEU   1           HG       LEU   1   5.969   7.712   0.860
    6   HD11  LEU   1          HD11      LEU   1   4.408   9.093   3.057
    7   HD12  LEU   1          HD12      LEU   1   3.766   8.276   1.631
    8   HD13  LEU   1          HD13      LEU   1   4.640   9.798   1.456
    9   HD21  LEU   1          HD21      LEU   1   7.058   9.847   1.411
   10   HD22  LEU   1          HD22      LEU   1   7.995   8.499   2.054
   11   HD23  LEU   1          HD23      LEU   1   6.976   9.458   3.128
   12    H    DGL   2           HN       DGL   2   3.026   6.208   0.791
   13    HA   DGL   2           HA       DGL   2   4.388   5.952  -1.577
   14    HB2  DGL   2           HB2      DGL   2   1.755   4.562  -1.367
   15    HB3  DGL   2           HB1      DGL   2   1.816   6.289  -1.012
   16    HG2  DGL   2           HG2      DGL   2   3.126   5.198  -3.493
   17    HG3  DGL   2           HG1      DGL   2   1.397   5.536  -3.474
   18    H    DAR   3           HN       DAR   3   3.174   3.333   0.484
   19    HA   DAR   3           HA       DAR   3   5.180   1.513  -0.314
   20    HB2  DAR   3           HB2      DAR   3   2.571   0.558  -1.388
   21    HB3  DAR   3           HB1      DAR   3   3.470   1.728  -2.353
   22    HG2  DAR   3           HG2      DAR   3   5.012  -0.552  -1.213
   23    HG3  DAR   3           HG1      DAR   3   3.914  -0.912  -2.546
   24    HD2  DAR   3           HD2      DAR   3   4.973   0.967  -3.835
   25    HD3  DAR   3           HD1      DAR   3   6.153   1.128  -2.538
   26    HE   DAR   3           HE       DAR   3   6.114  -1.560  -3.383
   27   HH11  DAR   3          HH21      DAR   3   7.739  -2.313  -4.760
   28   HH12  DAR   3          HH22      DAR   3   8.658  -1.196  -5.712
   29   HH21  DAR   3          HH11      DAR   3   7.002   1.609  -4.538
   30   HH22  DAR   3          HH12      DAR   3   8.241   1.011  -5.586
   31    H    ARG   4           HN       ARG   4   4.228   2.290   2.126
   32    HA   ARG   4           HA       ARG   4   3.482   1.501   4.142
   33    HB2  ARG   4           HB2      ARG   4   1.426   0.687   2.237
   34    HB3  ARG   4           HB1      ARG   4   1.538  -0.410   3.612
   35    HG2  ARG   4           HG2      ARG   4   0.013   1.321   4.253
   36    HG3  ARG   4           HG1      ARG   4   1.522   1.642   5.108
   37    HD2  ARG   4           HD2      ARG   4   0.771   3.733   4.180
   38    HD3  ARG   4           HD1      ARG   4   2.155   3.203   3.228
   39    HE   ARG   4           HE       ARG   4  -0.260   2.254   2.064
   40   HH11  ARG   4          HH11      ARG   4   1.634   5.146   2.528
   41   HH12  ARG   4          HH12      ARG   4   1.042   5.905   1.090
   42   HH21  ARG   4          HH21      ARG   4  -1.015   3.270   0.193
   43   HH22  ARG   4          HH22      ARG   4  -0.447   4.852  -0.225
   44    H    TYR   5           HN       TYR   5   2.782  -1.485   2.360
   45    HA   TYR   5           HA       TYR   5   3.539  -3.634   2.712
   46    HB2  TYR   5           HB2      TYR   5   5.426  -2.467   1.437
   47    HB3  TYR   5           HB1      TYR   5   6.259  -2.359   2.989
   48    HD1  TYR   5           HD1      TYR   5   4.917  -4.667   0.429
   49    HD2  TYR   5           HD2      TYR   5   7.151  -4.327   4.083
   50    HE1  TYR   5           HE1      TYR   5   5.667  -7.020   0.191
   51    HE2  TYR   5           HE2      TYR   5   7.899  -6.678   3.845
   52    HH   TYR   5           HH       TYR   5   6.688  -8.856   2.428
   53    HA   DPR   6           HA       DPR   6   4.060  -4.438   7.002
   54    HB2  DPR   6           HB2      DPR   6   1.881  -5.169   7.102
   55    HB3  DPR   6           HB1      DPR   6   1.663  -3.732   8.120
   56    HG2  DPR   6           HG2      DPR   6   0.233  -4.126   5.892
   57    HG3  DPR   6           HG1      DPR   6   0.719  -2.511   6.434
   58    HD2  DPR   6           HD2      DPR   6   1.744  -4.108   4.149
   59    HD3  DPR   6           HD1      DPR   6   1.733  -2.347   4.383
   60    H    ASP   7           HN       ASP   7   5.695  -2.851   7.443
   61    HA   ASP   7           HA       ASP   7   4.948  -0.190   8.285
   62    HB2  ASP   7           HB2      ASP   7   4.437  -1.771  10.247
   63    HB3  ASP   7           HB1      ASP   7   6.184  -1.955  10.389
   64    H    THR   8           HN       THR   8   6.702  -1.239   6.298
   65    HA   THR   8           HA       THR   8   9.347  -0.507   7.403
   66    HB   THR   8           HB       THR   8  10.314  -1.773   5.529
   67    HG1  THR   8           HG1      THR   8   8.889  -1.769   3.936
   68   HG21  THR   8          HG21      THR   8   8.224  -3.375   7.029
   69   HG22  THR   8          HG22      THR   8   9.787  -2.897   7.692
   70   HG23  THR   8          HG23      THR   8   9.712  -3.998   6.318
   71    H    MET   9           HN       MET   9   6.878   0.324   5.131
   72    HA   MET   9           HA       MET   9   8.677   2.300   3.865
   73    HB2  MET   9           HB2      MET   9   6.047   1.162   2.890
   74    HB3  MET   9           HB1      MET   9   7.000   2.385   2.048
   75    HG2  MET   9           HG2      MET   9   8.886   0.825   1.871
   76    HG3  MET   9           HG1      MET   9   7.978  -0.396   2.763
   77    HE1  MET   9           HE1      MET   9   9.241  -1.029  -0.120
   78    HE2  MET   9           HE2      MET   9   7.904  -2.051  -0.638
   79    HE3  MET   9           HE3      MET   9   8.415  -2.069   1.047
   80    H    TYR  10           HN       TYR  10   5.368   1.866   5.094
   81    HA   TYR  10           HA       TYR  10   3.810   3.385   5.848
   82    HB2  TYR  10           HB2      TYR  10   6.175   3.569   7.359
   83    HB3  TYR  10           HB1      TYR  10   5.643   5.230   7.096
   84    HD1  TYR  10           HD1      TYR  10   4.117   1.881   7.854
   85    HD2  TYR  10           HD2      TYR  10   4.140   6.104   8.642
   86    HE1  TYR  10           HE1      TYR  10   2.330   1.575   9.546
   87    HE2  TYR  10           HE2      TYR  10   2.353   5.798  10.334
   88    HH   TYR  10           HH       TYR  10   0.397   3.744  10.588
  Start of MODEL    8
    1    H1   LEU   1           HN       LEU   1   6.129   3.983   4.659
    2    HA   LEU   1           HA       LEU   1   4.426   5.524   4.478
    3    HB2  LEU   1           HB2      LEU   1   6.967   6.913   4.134
    4    HB3  LEU   1           HB1      LEU   1   5.630   7.763   3.361
    5    HG   LEU   1           HG       LEU   1   4.333   7.633   5.457
    6   HD11  LEU   1          HD11      LEU   1   5.646   6.930   7.529
    7   HD12  LEU   1          HD12      LEU   1   6.828   6.221   6.429
    8   HD13  LEU   1          HD13      LEU   1   5.171   5.621   6.449
    9   HD21  LEU   1          HD21      LEU   1   5.791   9.587   5.044
   10   HD22  LEU   1          HD22      LEU   1   7.133   8.751   5.822
   11   HD23  LEU   1          HD23      LEU   1   5.715   9.211   6.765
   12    H    DGL   2           HN       DGL   2   3.315   4.340   2.842
   13    HA   DGL   2           HA       DGL   2   3.782   4.609   0.072
   14    HB2  DGL   2           HB2      DGL   2   1.406   6.254   0.851
   15    HB3  DGL   2           HB1      DGL   2   3.005   6.998   0.881
   16    HG2  DGL   2           HG2      DGL   2   3.368   6.290  -1.462
   17    HG3  DGL   2           HG1      DGL   2   1.753   5.585  -1.491
   18    H    DAR   3           HN       DAR   3   3.235   2.424   1.506
   19    HA   DAR   3           HA       DAR   3   0.566   1.666   0.536
   20    HB2  DAR   3           HB2      DAR   3   0.090   0.486   2.657
   21    HB3  DAR   3           HB1      DAR   3   1.562   1.167   3.351
   22    HG2  DAR   3           HG2      DAR   3   0.673   3.450   2.937
   23    HG3  DAR   3           HG1      DAR   3  -0.817   2.738   2.319
   24    HD2  DAR   3           HD2      DAR   3  -1.214   1.653   4.488
   25    HD3  DAR   3           HD1      DAR   3   0.295   2.315   5.107
   26    HE   DAR   3           HE       DAR   3  -0.749   4.382   5.342
   27   HH11  DAR   3          HH21      DAR   3  -2.564   5.722   5.368
   28   HH12  DAR   3          HH22      DAR   3  -4.012   5.239   4.549
   29   HH21  DAR   3          HH11      DAR   3  -2.722   2.229   3.431
   30   HH22  DAR   3          HH12      DAR   3  -4.098   3.274   3.462
   31    H    ARG   4           HN       ARG   4   3.744   0.731   1.740
   32    HA   ARG   4           HA       ARG   4   3.514  -1.774   0.191
   33    HB2  ARG   4           HB2      ARG   4   5.765   0.097   0.787
   34    HB3  ARG   4           HB1      ARG   4   6.137  -1.614   0.579
   35    HG2  ARG   4           HG2      ARG   4   6.308  -0.506  -1.582
   36    HG3  ARG   4           HG1      ARG   4   4.899  -1.568  -1.596
   37    HD2  ARG   4           HD2      ARG   4   3.397   0.260  -1.286
   38    HD3  ARG   4           HD1      ARG   4   4.710   1.361  -0.878
   39    HE   ARG   4           HE       ARG   4   5.209   0.416  -3.456
   40   HH11  ARG   4          HH11      ARG   4   2.778   2.263  -1.770
   41   HH12  ARG   4          HH12      ARG   4   2.341   3.186  -3.166
   42   HH21  ARG   4          HH21      ARG   4   4.620   1.639  -5.263
   43   HH22  ARG   4          HH22      ARG   4   3.375   2.837  -5.132
   44    H    TYR   5           HN       TYR   5   2.994  -3.435   1.477
   45    HA   TYR   5           HA       TYR   5   2.892  -4.819   3.318
   46    HB2  TYR   5           HB2      TYR   5   5.265  -5.108   2.396
   47    HB3  TYR   5           HB1      TYR   5   5.786  -4.072   3.725
   48    HD1  TYR   5           HD1      TYR   5   4.162  -7.290   2.862
   49    HD2  TYR   5           HD2      TYR   5   5.799  -4.857   6.002
   50    HE1  TYR   5           HE1      TYR   5   4.091  -9.232   4.403
   51    HE2  TYR   5           HE2      TYR   5   5.727  -6.798   7.543
   52    HH   TYR   5           HH       TYR   5   5.684  -9.712   6.826
   53    HA   DPR   6           HA       DPR   6   2.330  -2.444   6.978
   54    HB2  DPR   6           HB2      DPR   6   0.053  -2.538   6.688
   55    HB3  DPR   6           HB1      DPR   6   0.215  -0.791   6.433
   56    HG2  DPR   6           HG2      DPR   6  -0.861  -2.428   4.596
   57    HG3  DPR   6           HG1      DPR   6   0.040  -0.966   4.170
   58    HD2  DPR   6           HD2      DPR   6   0.831  -3.801   3.856
   59    HD3  DPR   6           HD1      DPR   6   1.428  -2.360   3.008
   60    H    ASP   7           HN       ASP   7   4.476  -1.386   6.444
   61    HA   ASP   7           HA       ASP   7   4.428   1.318   5.431
   62    HB2  ASP   7           HB2      ASP   7   3.575   1.392   7.871
   63    HB3  ASP   7           HB1      ASP   7   5.238   1.009   8.315
   64    H    THR   8           HN       THR   8   6.378  -0.512   7.797
   65    HA   THR   8           HA       THR   8   8.638  -0.952   7.858
   66    HB   THR   8           HB       THR   8   8.569  -1.308   4.885
   67    HG1  THR   8           HG1      THR   8   7.188  -2.819   6.838
   68   HG21  THR   8          HG21      THR   8   9.965  -3.206   5.400
   69   HG22  THR   8          HG22      THR   8   9.603  -3.069   7.120
   70   HG23  THR   8          HG23      THR   8  10.575  -1.833   6.323
   71    H    MET   9           HN       MET   9   8.142   1.770   7.777
   72    HA   MET   9           HA       MET   9   9.140   3.795   7.316
   73    HB2  MET   9           HB2      MET   9  11.501   2.036   6.606
   74    HB3  MET   9           HB1      MET   9  11.562   3.751   7.011
   75    HG2  MET   9           HG2      MET   9  10.636   1.528   8.857
   76    HG3  MET   9           HG1      MET   9  12.174   2.383   8.964
   77    HE1  MET   9           HE1      MET   9  11.466   5.844  10.072
   78    HE2  MET   9           HE2      MET   9  11.316   5.513   8.348
   79    HE3  MET   9           HE3      MET   9  12.535   4.666   9.296
   80    H    TYR  10           HN       TYR  10   7.568   2.766   5.240
   81    HA   TYR  10           HA       TYR  10   9.107   3.550   2.839
   82    HB2  TYR  10           HB2      TYR  10   8.081   1.185   3.023
   83    HB3  TYR  10           HB1      TYR  10   6.535   1.996   2.772
   84    HD1  TYR  10           HD1      TYR  10   5.839   2.611   0.612
   85    HD2  TYR  10           HD2      TYR  10   9.963   1.650   1.334
   86    HE1  TYR  10           HE1      TYR  10   6.291   2.725  -1.825
   87    HE2  TYR  10           HE2      TYR  10  10.415   1.761  -1.104
   88    HH   TYR  10           HH       TYR  10   7.951   1.812  -3.429
  Start of MODEL    9
    1    H1   LEU   1           HN       LEU   1   5.841   2.300   2.157
    2    HA   LEU   1           HA       LEU   1   7.207   4.483   0.784
    3    HB2  LEU   1           HB2      LEU   1   7.630   1.975   0.379
    4    HB3  LEU   1           HB1      LEU   1   6.098   1.986  -0.492
    5    HG   LEU   1           HG       LEU   1   7.014   3.893  -1.886
    6   HD11  LEU   1          HD11      LEU   1   8.781   4.758  -0.551
    7   HD12  LEU   1          HD12      LEU   1   9.589   3.945  -1.890
    8   HD13  LEU   1          HD13      LEU   1   9.490   3.160  -0.314
    9   HD21  LEU   1          HD21      LEU   1   6.980   1.532  -2.663
   10   HD22  LEU   1          HD22      LEU   1   8.577   1.293  -1.955
   11   HD23  LEU   1          HD23      LEU   1   8.367   2.413  -3.301
   12    H    DGL   2           HN       DGL   2   4.764   5.280   1.821
   13    HA   DGL   2           HA       DGL   2   3.528   6.512  -0.336
   14    HB2  DGL   2           HB2      DGL   2   3.286   7.186   2.057
   15    HB3  DGL   2           HB1      DGL   2   1.753   7.117   1.189
   16    HG2  DGL   2           HG2      DGL   2   1.257   4.933   2.142
   17    HG3  DGL   2           HG1      DGL   2   2.840   4.876   2.915
   18    H    DAR   3           HN       DAR   3   2.833   3.396   1.161
   19    HA   DAR   3           HA       DAR   3   1.724   2.200  -1.083
   20    HB2  DAR   3           HB2      DAR   3  -0.726   2.345   0.274
   21    HB3  DAR   3           HB1      DAR   3  -0.129   4.004   0.216
   22    HG2  DAR   3           HG2      DAR   3   0.388   3.497  -2.282
   23    HG3  DAR   3           HG1      DAR   3  -0.707   2.132  -2.074
   24    HD2  DAR   3           HD2      DAR   3  -2.034   3.966  -2.871
   25    HD3  DAR   3           HD1      DAR   3  -2.413   3.762  -1.163
   26    HE   DAR   3           HE       DAR   3  -0.293   5.646  -1.554
   27   HH11  DAR   3          HH21      DAR   3  -0.763   7.826  -1.192
   28   HH12  DAR   3          HH22      DAR   3  -2.410   8.362  -1.143
   29   HH21  DAR   3          HH11      DAR   3  -3.750   5.222  -1.719
   30   HH22  DAR   3          HH12      DAR   3  -4.088   6.895  -1.440
   31    H    ARG   4           HN       ARG   4   1.905   2.469   2.382
   32    HA   ARG   4           HA       ARG   4   2.069   0.878   4.034
   33    HB2  ARG   4           HB2      ARG   4  -0.361   0.659   3.431
   34    HB3  ARG   4           HB1      ARG   4   0.083  -0.663   2.351
   35    HG2  ARG   4           HG2      ARG   4   1.033  -1.915   4.232
   36    HG3  ARG   4           HG1      ARG   4   0.665  -0.582   5.327
   37    HD2  ARG   4           HD2      ARG   4  -1.087  -2.237   5.546
   38    HD3  ARG   4           HD1      ARG   4  -1.757  -0.833   4.718
   39    HE   ARG   4           HE       ARG   4  -0.768  -2.705   2.823
   40   HH11  ARG   4          HH11      ARG   4  -3.372  -2.188   5.085
   41   HH12  ARG   4          HH12      ARG   4  -4.496  -3.152   4.193
   42   HH21  ARG   4          HH21      ARG   4  -2.258  -3.959   1.678
   43   HH22  ARG   4          HH22      ARG   4  -3.873  -4.150   2.276
   44    H    TYR   5           HN       TYR   5   4.138   0.123   3.874
   45    HA   TYR   5           HA       TYR   5   4.514  -2.340   2.279
   46    HB2  TYR   5           HB2      TYR   5   5.646  -0.359   1.247
   47    HB3  TYR   5           HB1      TYR   5   6.609  -0.202   2.716
   48    HD1  TYR   5           HD1      TYR   5   5.884  -2.347  -0.210
   49    HD2  TYR   5           HD2      TYR   5   8.375  -1.770   3.242
   50    HE1  TYR   5           HE1      TYR   5   7.452  -4.076  -1.051
   51    HE2  TYR   5           HE2      TYR   5   9.941  -3.498   2.401
   52    HH   TYR   5           HH       TYR   5   9.911  -4.628  -0.747
   53    HA   DPR   6           HA       DPR   6   6.397  -4.121   5.857
   54    HB2  DPR   6           HB2      DPR   6   5.005  -5.927   5.552
   55    HB3  DPR   6           HB1      DPR   6   4.279  -5.346   7.063
   56    HG2  DPR   6           HG2      DPR   6   2.838  -5.650   4.838
   57    HG3  DPR   6           HG1      DPR   6   2.519  -4.347   5.994
   58    HD2  DPR   6           HD2      DPR   6   3.730  -4.191   3.286
   59    HD3  DPR   6           HD1      DPR   6   2.856  -2.948   4.206
   60    H    ASP   7           HN       ASP   7   3.965  -1.728   6.220
   61    HA   ASP   7           HA       ASP   7   3.594  -0.158   7.857
   62    HB2  ASP   7           HB2      ASP   7   2.442  -2.223   8.773
   63    HB3  ASP   7           HB1      ASP   7   3.880  -2.490   9.758
   64    H    THR   8           HN       THR   8   6.282  -0.368   7.033
   65    HA   THR   8           HA       THR   8   7.602   0.628   9.452
   66    HB   THR   8           HB       THR   8   8.808  -1.504   7.670
   67    HG1  THR   8           HG1      THR   8   8.094  -1.547  10.413
   68   HG21  THR   8          HG21      THR   8  10.467   0.133   8.435
   69   HG22  THR   8          HG22      THR   8  10.687  -1.400   9.277
   70   HG23  THR   8          HG23      THR   8   9.900  -0.050  10.095
   71    H    MET   9           HN       MET   9   8.468  -0.204   6.091
   72    HA   MET   9           HA       MET   9  10.126   2.054   5.707
   73    HB2  MET   9           HB2      MET   9   8.740   0.212   3.752
   74    HB3  MET   9           HB1      MET   9   9.864   1.479   3.261
   75    HG2  MET   9           HG2      MET   9  11.628   0.478   4.648
   76    HG3  MET   9           HG1      MET   9  10.508  -0.772   5.188
   77    HE1  MET   9           HE1      MET   9  13.339  -1.187   3.921
   78    HE2  MET   9           HE2      MET   9  13.087  -2.540   2.821
   79    HE3  MET   9           HE3      MET   9  12.336  -2.559   4.414
   80    H    TYR  10           HN       TYR  10   6.713   1.446   4.989
   81    HA   TYR  10           HA       TYR  10   5.003   2.853   4.381
   82    HB2  TYR  10           HB2      TYR  10   6.834   4.627   5.949
   83    HB3  TYR  10           HB1      TYR  10   5.463   5.343   5.101
   84    HD1  TYR  10           HD1      TYR  10   6.441   2.814   7.645
   85    HD2  TYR  10           HD2      TYR  10   3.220   5.028   5.864
   86    HE1  TYR  10           HE1      TYR  10   4.922   2.054   9.450
   87    HE2  TYR  10           HE2      TYR  10   1.699   4.266   7.670
   88    HH   TYR  10           HH       TYR  10   1.527   2.452   9.282
  Start of MODEL   10
    1    H1   LEU   1           HN       LEU   1   6.291   2.226   2.180
    2    HA   LEU   1           HA       LEU   1   7.818   4.331   1.027
    3    HB2  LEU   1           HB2      LEU   1   7.126   1.790   0.259
    4    HB3  LEU   1           HB1      LEU   1   6.130   2.776  -0.811
    5    HG   LEU   1           HG       LEU   1   9.041   3.433  -0.417
    6   HD11  LEU   1          HD11      LEU   1   8.957   1.055  -1.052
    7   HD12  LEU   1          HD12      LEU   1   9.547   2.034  -2.395
    8   HD13  LEU   1          HD13      LEU   1   7.884   1.445  -2.396
    9   HD21  LEU   1          HD21      LEU   1   8.668   4.227  -2.812
   10   HD22  LEU   1          HD22      LEU   1   7.768   5.105  -1.577
   11   HD23  LEU   1          HD23      LEU   1   6.954   3.891  -2.565
   12    H    DGL   2           HN       DGL   2   4.364   3.489   0.837
   13    HA   DGL   2           HA       DGL   2   3.533   5.565  -0.834
   14    HB2  DGL   2           HB2      DGL   2   4.251   7.211   0.701
   15    HB3  DGL   2           HB1      DGL   2   2.520   7.062   0.989
   16    HG2  DGL   2           HG2      DGL   2   3.003   5.488   2.867
   17    HG3  DGL   2           HG1      DGL   2   4.724   5.752   2.608
   18    H    DAR   3           HN       DAR   3   2.311   3.636  -1.368
   19    HA   DAR   3           HA       DAR   3   0.372   2.410  -1.403
   20    HB2  DAR   3           HB2      DAR   3  -1.616   3.434  -0.683
   21    HB3  DAR   3           HB1      DAR   3  -0.807   4.294   0.626
   22    HG2  DAR   3           HG2      DAR   3  -1.373   5.813  -1.246
   23    HG3  DAR   3           HG1      DAR   3   0.369   5.710  -1.014
   24    HD2  DAR   3           HD2      DAR   3  -0.584   3.639  -2.818
   25    HD3  DAR   3           HD1      DAR   3  -1.023   5.243  -3.395
   26    HE   DAR   3           HE       DAR   3   1.663   5.339  -2.605
   27   HH11  DAR   3          HH21      DAR   3   3.307   5.169  -4.144
   28   HH12  DAR   3          HH22      DAR   3   2.988   4.431  -5.678
   29   HH21  DAR   3          HH11      DAR   3  -0.337   3.758  -4.986
   30   HH22  DAR   3          HH12      DAR   3   0.937   3.639  -6.150
   31    H    ARG   4           HN       ARG   4   1.298   0.601  -0.418
   32    HA   ARG   4           HA       ARG   4   0.961   0.373   2.503
   33    HB2  ARG   4           HB2      ARG   4  -0.032  -1.585   0.419
   34    HB3  ARG   4           HB1      ARG   4   0.089  -1.953   2.140
   35    HG2  ARG   4           HG2      ARG   4  -1.423  -0.075   2.657
   36    HG3  ARG   4           HG1      ARG   4  -1.541   0.305   0.938
   37    HD2  ARG   4           HD2      ARG   4  -2.496  -1.931   0.510
   38    HD3  ARG   4           HD1      ARG   4  -2.382  -2.308   2.226
   39    HE   ARG   4           HE       ARG   4  -3.856   0.073   1.933
   40   HH11  ARG   4          HH11      ARG   4  -4.088  -3.334   1.223
   41   HH12  ARG   4          HH12      ARG   4  -5.813  -3.361   1.333
   42   HH21  ARG   4          HH21      ARG   4  -6.111   0.009   2.071
   43   HH22  ARG   4          HH22      ARG   4  -6.954  -1.482   1.810
   44    H    TYR   5           HN       TYR   5   2.731  -0.418   3.457
   45    HA   TYR   5           HA       TYR   5   4.423  -2.350   2.080
   46    HB2  TYR   5           HB2      TYR   5   5.237  -0.035   1.425
   47    HB3  TYR   5           HB1      TYR   5   5.645   0.210   3.124
   48    HD1  TYR   5           HD1      TYR   5   6.373  -1.799   0.101
   49    HD2  TYR   5           HD2      TYR   5   7.515  -0.926   4.148
   50    HE1  TYR   5           HE1      TYR   5   8.498  -3.034  -0.232
   51    HE2  TYR   5           HE2      TYR   5   9.639  -2.162   3.816
   52    HH   TYR   5           HH       TYR   5  11.112  -2.764   1.768
   53    HA   DPR   6           HA       DPR   6   4.947  -4.255   5.988
   54    HB2  DPR   6           HB2      DPR   6   3.016  -5.327   6.685
   55    HB3  DPR   6           HB1      DPR   6   2.031  -3.858   6.543
   56    HG2  DPR   6           HG2      DPR   6   2.860  -5.790   4.449
   57    HG3  DPR   6           HG1      DPR   6   1.349  -4.882   4.620
   58    HD2  DPR   6           HD2      DPR   6   3.424  -4.191   2.896
   59    HD3  DPR   6           HD1      DPR   6   2.166  -3.075   3.469
   60    H    ASP   7           HN       ASP   7   5.864  -3.321   7.721
   61    HA   ASP   7           HA       ASP   7   4.941  -0.690   8.601
   62    HB2  ASP   7           HB2      ASP   7   3.671  -2.253  10.007
   63    HB3  ASP   7           HB1      ASP   7   5.170  -3.049  10.484
   64    H    THR   8           HN       THR   8   6.892   0.183   7.911
   65    HA   THR   8           HA       THR   8   9.096  -0.145   9.735
   66    HB   THR   8           HB       THR   8   9.555  -0.883   6.835
   67    HG1  THR   8           HG1      THR   8   9.393  -2.437   9.196
   68   HG21  THR   8          HG21      THR   8  11.805  -1.318   7.493
   69   HG22  THR   8          HG22      THR   8  11.406  -1.177   9.205
   70   HG23  THR   8          HG23      THR   8  11.409   0.257   8.179
   71    H    MET   9           HN       MET   9   9.024   0.873   6.313
   72    HA   MET   9           HA       MET   9   9.708   3.599   7.230
   73    HB2  MET   9           HB2      MET   9  10.491   2.109   4.721
   74    HB3  MET   9           HB1      MET   9  10.756   3.838   4.949
   75    HG2  MET   9           HG2      MET   9  12.012   3.283   7.065
   76    HG3  MET   9           HG1      MET   9  11.889   1.581   6.621
   77    HE1  MET   9           HE1      MET   9  14.015   0.983   3.694
   78    HE2  MET   9           HE2      MET   9  12.352   1.487   3.401
   79    HE3  MET   9           HE3      MET   9  12.728   0.487   4.802
   80    H    TYR  10           HN       TYR  10   7.445   1.687   5.473
   81    HA   TYR  10           HA       TYR  10   5.556   2.213   4.275
   82    HB2  TYR  10           HB2      TYR  10   5.888   4.697   5.958
   83    HB3  TYR  10           HB1      TYR  10   4.512   4.456   4.882
   84    HD1  TYR  10           HD1      TYR  10   6.192   3.311   7.951
   85    HD2  TYR  10           HD2      TYR  10   2.858   2.708   5.311
   86    HE1  TYR  10           HE1      TYR  10   5.088   1.900   9.666
   87    HE2  TYR  10           HE2      TYR  10   1.754   1.298   7.025
   88    HH   TYR  10           HH       TYR  10   2.512  -0.118   9.004