*HEADER    DE NOVO PROTEIN                         01-SEP-14   2MTU              
*TITLE     NON-REDUCIBLE ANALOGUES OF ALPHA-CONOTOXIN RGIA: [3,12]-TRANS DICARBA 
*TITLE    2 RGIA                                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DICARBA ANALOGUES OF ALPHA-CONOTOXIN RGIA;                 
*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    DICARBA, RGIA, ALPHA-CONOTOXIN, NON-REDUCIBLE, DE NOVO PROTEIN        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.CHHABRA, S.D.ROBINSON, R.S.NORTON                                   
*REVDAT   1   26-NOV-14 2MTU    0                                                


assign (resid 8 and name HA ) (resid 9 and name HN ) 3.04 1.24 0
assign (resid 10 and name HA ) (resid 11 and name HN ) 3.21 1.41 0
assign (resid 2 and name HN ) (resid 2 and name HB2 ) 3.94 2.14 0
assign (resid 2 and name HN ) (resid 2 and name HB1 ) 3.94 2.14 0
assign (resid 3 and name HN ) (resid 3 and name HG ) 4.57 2.77 0
assign (resid 12 and name HN ) (resid 12 and name HG ) 4.65 2.85 0
assign (resid 4 and name HN ) (resid 4 and name HB2 ) 4.1 2.3 0
assign (resid 11 and name HA ) (resid 12 and name HN ) 3.07 1.27 0
assign (resid 12 and name HA ) (resid 13 and name HN ) 3.15 1.35 0
assign (resid 3 and name HA ) (resid 5 and name HN ) 4.56 2.76 0
assign (resid 4 and name HB2 ) (resid 5 and name HN ) 5.06 3.26 0
assign (resid 2 and name HB2 ) (resid 3 and name HN ) 4.6 2.8 0
assign (resid 2 and name HB1 ) (resid 3 and name HN ) 4.6 2.8 0
assign (resid 5 and name HN ) (resid 5 and name HB1 ) 3.8 2 0
assign (resid 5 and name HN ) (resid 5 and name HB2 ) 3.8 2 0
assign (resid 12 and name HN ) (resid 12 and name HB2 ) 4 2.2 0
assign (resid 12 and name HN ) (resid 12 and name HB1 ) 4 2.2 0
assign (resid 12 and name HB1 ) (resid 13 and name HN ) 4.16 2.36 0
assign (resid 8 and name HN ) (resid 8 and name HB1 ) 3.25 1.45 0
assign (resid 8 and name HN ) (resid 8 and name HB2 ) 3.25 1.45 0
assign (resid 10 and name HN ) (resid 10 and name HB1 ) 3.86 2.06 0
assign (resid 10 and name HN ) (resid 10 and name HB2 ) 3.86 2.06 0
assign (resid 11 and name HN ) (resid 11 and name HB1 ) 4.12 2.32 0
assign (resid 11 and name HN ) (resid 11 and name HB2 ) 4.12 2.32 0
assign (resid 7 and name HN ) (resid 7 and name HB2 ) 4.04 2.24 0
assign (resid 7 and name HN ) (resid 7 and name HB1 ) 4.04 2.24 0
assign (resid 2 and name HN ) (resid 3 and name HN ) 4.1 2.3 0
assign (resid 8 and name HN ) (resid 9 and name HN ) 4.63 2.83 0
assign (resid 9 and name HN ) (resid 10 and name HN ) 3.59 1.79 0
assign (resid 10 and name HN ) (resid 10 and name HD* ) 4.36 2.56 0
assign (resid 5 and name HA ) (resid 6 and name HD2 ) 3.41 1.61 0
assign (resid 5 and name HA ) (resid 6 and name HD1 ) 3.41 1.61 0
assign (resid 12 and name HA ) (resid 12 and name HG ) 3.67 1.87 0 
assign (resid 3 and name HA ) (resid 3 and name HG ) 3.38 1.58 0
assign (resid 10 and name HA ) (resid 10 and name HD* ) 3.53 1.73 0
assign (resid 3 and name HB2 ) (resid 4 and name HN ) 4.12 2.32 0
assign (resid 7 and name HB2 ) (resid 8 and name HN ) 4.76 2.96 0
assign (resid 7 and name HB1 ) (resid 8 and name HN ) 4.76 2.96 0
assign (resid 10 and name HA ) (resid 10 and name HE* ) 4.77 2.97 0
assign (resid 12 and name HB2 ) (resid 13 and name HN ) 4.16 2.36 0
assign (resid 4 and name HN ) (resid 4 and name HB1 ) 4.1 2.3 0
assign (resid 8 and name HB1 ) (resid 9 and name HN ) 4.6 2.8 0
assign (resid 8 and name HB2 ) (resid 9 and name HN ) 4.87 3.07 0
assign (resid 8 and name HA ) (resid 10 and name HN ) 5.1 3.3 0
assign (resid 3 and name HG ) (resid 4 and name HN ) 5.23 3.43 0
assign (resid 12 and name HG ) (resid 13 and name HN ) 5.25 3.45 0
assign (resid 3 and name HN ) (resid 3 and name HB2 ) 3.21 1.41 0
assign (resid 3 and name HB1 ) (resid 4 and name HN ) 4.12 2.32 0
assign (resid 11 and name HB2 ) (resid 12 and name HN ) 4.34 2.54 0
assign (resid 11 and name HB1 ) (resid 12 and name HN ) 4.34 2.54 0
assign (resid 4 and name HB1 ) (resid 5 and name HN ) 5.06 3.26 0
assign (resid 5 and name HA ) (resid 7 and name HN ) 5.19 3.39 0
assign (resid 7 and name HN ) (resid 8 and name HN ) 3.47 1.67 0
assign (resid 1 and name HA1 ) (resid 2 and name HN ) 3.04 1.24 0
assign (resid 2 and name HN ) (resid 2 and name HB* ) 3.38 1.58 0
assign (resid 2 and name HA ) (resid 5 and name HB* ) 5.34 3.54 0
assign (resid 2 and name HA ) (resid 8 and name HB* ) 5.34 3.54 0
assign (resid 2 and name HB* ) (resid 3 and name HN ) 3.83 2.03 0
assign (resid 2 and name HB* ) (resid 5 and name HB* ) 4.85 3.05 0
assign (resid 2 and name HB* ) (resid 8 and name HB* ) 4.81 3.01 0
assign (resid 4 and name HN ) (resid 4 and name HB* ) 3.43 1.63 0
assign (resid 5 and name HN ) (resid 5 and name HB* ) 3.28 1.48 0
assign (resid 5 and name HN ) (resid 8 and name HB* ) 4.54 2.74 0
assign (resid 5 and name HA ) (resid 6 and name HG* ) 4.72 2.92 0
assign (resid 5 and name HA ) (resid 6 and name HD* ) 2.92 1.12 0
assign (resid 5 and name HB* ) (resid 6 and name HD* ) 3.0 1.2 0   
assign (resid 5 and name HB* ) (resid 7 and name HN ) 4.46 2.66 0
assign (resid 5 and name HB* ) (resid 8 and name HB* ) 3 1.2 0
assign (resid 6 and name HG* ) (resid 7 and name HN ) 4.43 2.63 0
assign (resid 6 and name HD* ) (resid 7 and name HN ) 4.09 2.29 0
assign (resid 7 and name HN ) (resid 7 and name HB* ) 3.45 1.65 0
assign (resid 7 and name HN ) (resid 7 and name HG* ) 3.62 1.82 0
assign (resid 7 and name HN ) (resid 7 and name HD* ) 5.01 3.21 0
assign (resid 7 and name HA ) (resid 7 and name HG* ) 3.67 1.87 0
assign (resid 7 and name HB* ) (resid 7 and name HE ) 4.16 2.36 0
assign (resid 7 and name HB* ) (resid 8 and name HN ) 4.08 2.28 0
assign (resid 7 and name HG* ) (resid 8 and name HN ) 5.08 3.28 0
assign (resid 9 and name HN ) (resid 9 and name HB* ) 3.21 1.41 0
assign (resid 9 and name HN ) (resid 9 and name HG* ) 3.9 2.1 0
assign (resid 9 and name HN ) (resid 10 and name HB* ) 5.34 3.54 0
assign (resid 9 and name HB* ) (resid 9 and name HE ) 4.39 2.59 0
assign (resid 9 and name HB* ) (resid 10 and name HN ) 4.16 2.36 0
assign (resid 9 and name HG* ) (resid 10 and name HN ) 5.02 3.22 0
assign (resid 10 and name HN ) (resid 10 and name HB* ) 3.39 1.59 0
assign (resid 10 and name HB* ) (resid 11 and name HN ) 4.32 2.52 0
assign (resid 10 and name HD* ) (resid 12 and name HB* ) 4.71 2.91 0
assign (resid 10 and name HE* ) (resid 12 and name HB* ) 4.26 2.46 0
assign (resid 11 and name HN ) (resid 11 and name HB* ) 3.46 1.66 0
assign (resid 11 and name HN ) (resid 11 and name HG* ) 4.4 2.6 0
assign (resid 12 and name HN ) (resid 12 and name HB* ) 3.32 1.52 0
assign (resid 13 and name HN ) (resid 13 and name HB* ) 3.62 1.82 0
assign (resid 13 and name HN ) (resid 13 and name HG* ) 4.47 2.67 0
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    125.0   -73.7   36.6 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    125.0   119.7   68.1 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    125.0   -64.4   20.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    125.0   -24.3   20.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    125.0   -81.1   42.3 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    125.0   -23.1   20.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    125.0    -5.3   20.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    125.0   133.2   29.5 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    125.0   -70.9   20.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    125.0   -31.1   23.2 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    125.0  -112.8   32.8 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    125.0   136.4   32.6 2
assign (resid    3 and name C    ) (resid    4 and name N   )
       (resid    4 and name CA   ) (resid    4 and name C    )    125.0   -89.0   30.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    125.0    -1.3   30.0 2


! PHI

assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    125.0  -60   30.0 2

assign (resid    6 and name C    ) (resid   7 and name N    )
       (resid    7 and name CA   ) (resid   7 and name C    )    125.0 -120  40.0   2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  -1.789   3.446  -7.898
    2    H2   GLY   1           HT2      GLY   1  -0.092   3.472  -7.972
    3    H3   GLY   1           HT3      GLY   1  -0.876   2.802  -6.622
    4    HA2  GLY   1           HA2      GLY   1  -1.757   1.547  -9.012
    5    HA3  GLY   1           HA1      GLY   1  -0.002   1.458  -8.856
    6    H    CYS   2           H        CYS   2   0.561   1.152  -6.313
    7    HA   CYS   2           HA       CYS   2  -0.874  -1.308  -5.529
    8    HB2  CYS   2           HB2      CYS   2   1.096  -2.006  -4.467
    9    HB3  CYS   2           HB1      CYS   2   1.588  -1.381  -6.031
   10    H    ABA   3           H        ABA   3  -2.151   0.908  -4.890
   11    HA   ABA   3           HA       ABA   3  -1.480   1.813  -2.217
   12    HB3  ABA   3           HB1      ABA   3  -4.145   2.391  -3.420
   13    HB2  ABA   3           HB2      ABA   3  -2.727   3.092  -4.198
   14    HG1  ABA   3           HG       ABA   3  -2.494   4.624  -2.407
   15    H    SER   4           H        SER   4  -3.970  -0.186  -3.750
   16    HA   SER   4           HA       SER   4  -5.324  -0.758  -1.275
   17    HB2  SER   4           HB2      SER   4  -6.686  -2.253  -2.584
   18    HB3  SER   4           HB1      SER   4  -6.420  -0.794  -3.534
   19    HG   SER   4           HG       SER   4  -4.543  -2.825  -3.796
   20    H    ASP   5           H        ASP   5  -2.484  -1.904  -2.749
   21    HA   ASP   5           HA       ASP   5  -2.655  -4.568  -1.672
   22    HB2  ASP   5           HB2      ASP   5  -0.358  -3.124  -2.960
   23    HB3  ASP   5           HB1      ASP   5  -0.377  -4.836  -2.522
   24    HA   PRO   6           HA       PRO   6  -0.977  -3.046   2.272
   25    HB2  PRO   6           HB2      PRO   6  -1.139  -5.391   3.659
   26    HB3  PRO   6           HB1      PRO   6  -2.552  -4.372   3.322
   27    HG2  PRO   6           HG2      PRO   6  -1.654  -6.867   1.981
   28    HG3  PRO   6           HG1      PRO   6  -3.292  -6.311   2.364
   29    HD2  PRO   6           HD2      PRO   6  -2.147  -6.128  -0.140
   30    HD3  PRO   6           HD1      PRO   6  -3.469  -5.085   0.437
   31    H    ARG   7           H        ARG   7   0.274  -5.554   0.280
   32    HA   ARG   7           HA       ARG   7   2.651  -6.022   1.847
   33    HB2  ARG   7           HB2      ARG   7   1.957  -6.809  -0.998
   34    HB3  ARG   7           HB1      ARG   7   3.351  -7.391  -0.091
   35    HG2  ARG   7           HG2      ARG   7   0.592  -7.704   1.062
   36    HG3  ARG   7           HG1      ARG   7   1.166  -8.849  -0.148
   37    HD2  ARG   7           HD2      ARG   7   2.562  -8.204   2.473
   38    HD3  ARG   7           HD1      ARG   7   1.643  -9.662   2.132
   39    HE   ARG   7           HE       ARG   7   4.313  -9.035   1.178
   40   HH11  ARG   7          1HH2      ARG   7   1.429 -10.911   0.810
   41   HH12  ARG   7          2HH2      ARG   7   2.210 -12.197  -0.047
   42   HH21  ARG   7          1HH1      ARG   7   5.345 -10.717   0.055
   43   HH22  ARG   7          2HH1      ARG   7   4.426 -12.087  -0.475
   44    H    CYS   8           H        CYS   8   1.618  -3.600  -0.298
   45    HA   CYS   8           HA       CYS   8   4.211  -3.008  -1.440
   46    HB2  CYS   8           HB2      CYS   8   1.773  -2.435  -2.294
   47    HB3  CYS   8           HB1      CYS   8   2.012  -0.986  -1.321
   48    H    ARG   9           H        ARG   9   5.464  -1.114  -0.982
   49    HA   ARG   9           HA       ARG   9   5.943  -0.653   1.736
   50    HB2  ARG   9           HB2      ARG   9   7.601  -0.251  -0.064
   51    HB3  ARG   9           HB1      ARG   9   6.648   1.128  -0.611
   52    HG2  ARG   9           HG2      ARG   9   6.952   2.240   1.537
   53    HG3  ARG   9           HG1      ARG   9   7.812   0.837   2.168
   54    HD2  ARG   9           HD2      ARG   9   9.570   1.143   0.474
   55    HD3  ARG   9           HD1      ARG   9   8.704   2.528  -0.185
   56    HE   ARG   9           HE       ARG   9   9.132   2.999   2.551
   57   HH11  ARG   9          1HH2      ARG   9  10.894   2.595  -0.399
   58   HH12  ARG   9          2HH2      ARG   9  12.208   3.615   0.084
   59   HH21  ARG   9          1HH1      ARG   9  10.851   4.337   3.193
   60   HH22  ARG   9          2HH1      ARG   9  12.184   4.600   2.118
   61    H    TYR  10           H        TYR  10   4.141   1.263  -0.655
   62    HA   TYR  10           HA       TYR  10   3.273   3.091   1.478
   63    HB2  TYR  10           HB2      TYR  10   4.103   4.126  -0.581
   64    HB3  TYR  10           HB1      TYR  10   2.911   3.233  -1.525
   65    HD1  TYR  10           HD2      TYR  10   3.194   5.630   1.336
   66    HD2  TYR  10           HD1      TYR  10   0.774   4.140  -1.885
   67    HE1  TYR  10           HE2      TYR  10   1.517   7.401   1.778
   68    HE2  TYR  10           HE1      TYR  10  -0.902   5.912  -1.444
   69    HH   TYR  10           HH       TYR  10  -1.096   8.041  -0.401
   70    H    ARG  11           H        ARG  11   1.403   2.727   2.471
   71    HA   ARG  11           HA       ARG  11  -0.668   1.142   1.072
   72    HB2  ARG  11           HB2      ARG  11   0.225   0.045   3.088
   73    HB3  ARG  11           HB1      ARG  11  -0.199   1.462   4.047
   74    HG2  ARG  11           HG2      ARG  11  -2.561   1.149   3.565
   75    HG3  ARG  11           HG1      ARG  11  -2.195  -0.165   2.448
   76    HD2  ARG  11           HD2      ARG  11  -2.915  -1.073   4.607
   77    HD3  ARG  11           HD1      ARG  11  -1.223  -1.466   4.319
   78    HE   ARG  11           HE       ARG  11  -1.486   0.977   5.783
   79   HH11  ARG  11          1HH2      ARG  11  -1.663  -2.472   6.007
   80   HH12  ARG  11          2HH2      ARG  11  -1.238  -2.523   7.685
   81   HH21  ARG  11          1HH1      ARG  11  -0.928   0.918   7.985
   82   HH22  ARG  11          2HH1      ARG  11  -0.822  -0.604   8.805
   83    H    ABA  12           H        ABA  12  -2.608   2.039   0.727
   84    HA   ABA  12           HA       ABA  12  -3.220   4.603   2.071
   85    HB3  ABA  12           HB1      ABA  12  -2.730   5.162  -0.183
   86    HB2  ABA  12           HB2      ABA  12  -4.488   5.152  -0.060
   87    HG1  ABA  12           HG       ABA  12  -4.201   2.602  -0.875
   88    H    ARG  13           H        ARG  13  -5.744   5.042   1.392
   89    HA   ARG  13           HA       ARG  13  -7.909   4.507   1.944
   90    HB2  ARG  13           HB2      ARG  13  -7.524   2.916   0.026
   91    HB3  ARG  13           HB1      ARG  13  -7.130   1.677   1.218
   92    HG2  ARG  13           HG2      ARG  13  -9.360   2.062   2.284
   93    HG3  ARG  13           HG1      ARG  13  -9.752   3.180   0.977
   94    HD2  ARG  13           HD2      ARG  13  -9.015   0.261   0.617
   95    HD3  ARG  13           HD1      ARG  13 -10.650   0.909   0.545
   96    HE   ARG  13           HE       ARG  13  -8.576   1.197  -1.484
   97   HH11  ARG  13          1HH2      ARG  13 -11.619   2.228  -0.196
   98   HH12  ARG  13          2HH2      ARG  13 -12.169   2.922  -1.684
   99   HH21  ARG  13          1HH1      ARG  13  -9.291   2.107  -3.437
  100   HH22  ARG  13          2HH1      ARG  13 -10.851   2.855  -3.518
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  -3.079   3.915  -6.598
    2    H2   GLY   1           HT2      GLY   1  -2.047   5.109  -7.230
    3    H3   GLY   1           HT3      GLY   1  -2.964   5.426  -5.835
    4    HA2  GLY   1           HA2      GLY   1  -0.379   4.497  -5.931
    5    HA3  GLY   1           HA1      GLY   1  -1.422   4.578  -4.509
    6    H    CYS   2           H        CYS   2  -0.126   2.636  -3.902
    7    HA   CYS   2           HA       CYS   2  -1.081   0.174  -5.226
    8    HB2  CYS   2           HB2      CYS   2   0.792  -0.918  -4.053
    9    HB3  CYS   2           HB1      CYS   2   1.318   0.335  -5.173
   10    H    ABA   3           H        ABA   3  -2.924   1.294  -3.727
   11    HA   ABA   3           HA       ABA   3  -2.870   0.397  -0.984
   12    HB3  ABA   3           HB1      ABA   3  -5.111   1.282  -0.836
   13    HB2  ABA   3           HB2      ABA   3  -5.235   1.381  -2.592
   14    HG1  ABA   3           HG       ABA   3  -3.506   3.189  -2.612
   15    H    SER   4           H        SER   4  -3.909  -0.856  -4.042
   16    HA   SER   4           HA       SER   4  -5.807  -2.750  -3.170
   17    HB2  SER   4           HB2      SER   4  -5.393  -3.866  -5.304
   18    HB3  SER   4           HB1      SER   4  -5.478  -2.122  -5.540
   19    HG   SER   4           HG       SER   4  -3.227  -2.068  -5.582
   20    H    ASP   5           H        ASP   5  -2.293  -2.770  -3.204
   21    HA   ASP   5           HA       ASP   5  -2.324  -5.544  -2.242
   22    HB2  ASP   5           HB2      ASP   5  -0.033  -3.931  -3.345
   23    HB3  ASP   5           HB1      ASP   5   0.064  -5.600  -2.772
   24    HA   PRO   6           HA       PRO   6  -1.409  -3.561   1.731
   25    HB2  PRO   6           HB2      PRO   6  -1.409  -5.810   3.276
   26    HB3  PRO   6           HB1      PRO   6  -2.894  -5.020   2.710
   27    HG2  PRO   6           HG2      PRO   6  -1.529  -7.449   1.675
   28    HG3  PRO   6           HG1      PRO   6  -3.258  -7.100   1.835
   29    HD2  PRO   6           HD2      PRO   6  -1.867  -6.925  -0.536
   30    HD3  PRO   6           HD1      PRO   6  -3.361  -6.020  -0.193
   31    H    ARG   7           H        ARG   7   0.468  -5.900   0.074
   32    HA   ARG   7           HA       ARG   7   2.647  -5.974   1.970
   33    HB2  ARG   7           HB2      ARG   7   2.433  -6.914  -0.899
   34    HB3  ARG   7           HB1      ARG   7   3.828  -7.193   0.144
   35    HG2  ARG   7           HG2      ARG   7   2.417  -8.412   1.742
   36    HG3  ARG   7           HG1      ARG   7   0.996  -8.102   0.741
   37    HD2  ARG   7           HD2      ARG   7   1.822 -10.344   0.271
   38    HD3  ARG   7           HD1      ARG   7   2.100  -9.320  -1.135
   39    HE   ARG   7           HE       ARG   7   4.397  -9.505  -0.764
   40   HH11  ARG   7          1HH2      ARG   7   2.563 -10.691   1.920
   41   HH12  ARG   7          2HH2      ARG   7   3.928 -11.399   2.717
   42   HH21  ARG   7          1HH1      ARG   7   6.192 -10.431   0.276
   43   HH22  ARG   7          2HH1      ARG   7   5.982 -11.251   1.787
   44    H    CYS   8           H        CYS   8   1.572  -3.786  -0.393
   45    HA   CYS   8           HA       CYS   8   4.050  -2.802  -1.369
   46    HB2  CYS   8           HB2      CYS   8   1.889  -2.313  -2.451
   47    HB3  CYS   8           HB1      CYS   8   1.412  -1.354  -1.050
   48    H    ARG   9           H        ARG   9   5.495  -1.405  -0.510
   49    HA   ARG   9           HA       ARG   9   5.523  -0.866   2.253
   50    HB2  ARG   9           HB2      ARG   9   7.045   0.389  -0.038
   51    HB3  ARG   9           HB1      ARG   9   7.373   0.742   1.658
   52    HG2  ARG   9           HG2      ARG   9   7.839  -1.623   2.091
   53    HG3  ARG   9           HG1      ARG   9   7.442  -2.026   0.420
   54    HD2  ARG   9           HD2      ARG   9   9.870  -1.859   0.677
   55    HD3  ARG   9           HD1      ARG   9   9.283  -0.557  -0.354
   56    HE   ARG   9           HE       ARG   9   9.900   0.971   1.295
   57   HH11  ARG   9          1HH2      ARG   9   9.938  -2.278   2.487
   58   HH12  ARG   9          2HH2      ARG   9  10.714  -1.867   3.980
   59   HH21  ARG   9          1HH1      ARG   9  10.918   1.516   3.250
   60   HH22  ARG   9          2HH1      ARG   9  11.268   0.281   4.413
   61    H    TYR  10           H        TYR  10   4.535   1.110  -0.515
   62    HA   TYR  10           HA       TYR  10   3.964   3.426   1.121
   63    HB2  TYR  10           HB2      TYR  10   4.668   3.730  -1.198
   64    HB3  TYR  10           HB1      TYR  10   3.277   2.805  -1.763
   65    HD1  TYR  10           HD1      TYR  10   4.264   5.883   0.097
   66    HD2  TYR  10           HD2      TYR  10   1.151   3.824  -2.030
   67    HE1  TYR  10           HE1      TYR  10   2.878   7.938   0.136
   68    HE2  TYR  10           HE2      TYR  10  -0.235   5.881  -1.991
   69    HH   TYR  10           HH       TYR  10   0.985   8.904  -1.265
   70    H    ARG  11           H        ARG  11   2.089   3.913   2.097
   71    HA   ARG  11           HA       ARG  11  -0.244   2.170   1.566
   72    HB2  ARG  11           HB2      ARG  11   0.516   3.660   4.091
   73    HB3  ARG  11           HB1      ARG  11  -0.943   2.690   3.876
   74    HG2  ARG  11           HG2      ARG  11   0.472   0.706   3.392
   75    HG3  ARG  11           HG1      ARG  11   1.911   1.682   3.688
   76    HD2  ARG  11           HD2      ARG  11   1.404   0.470   5.717
   77    HD3  ARG  11           HD1      ARG  11   1.028   2.169   5.987
   78    HE   ARG  11           HE       ARG  11  -1.225   1.598   6.155
   79   HH11  ARG  11          1HH2      ARG  11   0.648  -0.996   4.836
   80   HH12  ARG  11          2HH2      ARG  11  -0.638  -2.152   4.923
   81   HH21  ARG  11          1HH1      ARG  11  -2.916   0.086   6.273
   82   HH22  ARG  11          2HH1      ARG  11  -2.656  -1.540   5.736
   83    H    ABA  12           H        ABA  12  -2.199   3.081   1.145
   84    HA   ABA  12           HA       ABA  12  -2.246   6.017   0.816
   85    HB3  ABA  12           HB1      ABA  12  -2.566   4.875  -1.283
   86    HB2  ABA  12           HB2      ABA  12  -4.114   5.560  -0.791
   87    HG1  ABA  12           HG       ABA  12  -4.396   3.076   0.312
   88    H    ARG  13           H        ARG  13  -4.329   7.082   1.199
   89    HA   ARG  13           HA       ARG  13  -5.628   5.953   3.580
   90    HB2  ARG  13           HB2      ARG  13  -4.727   8.239   3.749
   91    HB3  ARG  13           HB1      ARG  13  -5.758   8.744   2.410
   92    HG2  ARG  13           HG2      ARG  13  -7.760   8.247   3.688
   93    HG3  ARG  13           HG1      ARG  13  -6.800   7.551   4.996
   94    HD2  ARG  13           HD2      ARG  13  -5.759   9.732   5.416
   95    HD3  ARG  13           HD1      ARG  13  -6.657  10.437   4.073
   96    HE   ARG  13           HE       ARG  13  -8.535   9.305   5.802
   97   HH11  ARG  13          1HH2      ARG  13  -6.095  11.759   5.818
   98   HH12  ARG  13          2HH2      ARG  13  -6.904  12.750   6.986
   99   HH21  ARG  13          1HH1      ARG  13  -9.601  10.599   7.334
  100   HH22  ARG  13          2HH1      ARG  13  -8.889  12.093   7.844
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  -2.394   4.988  -6.991
    2    H2   GLY   1           HT2      GLY   1  -1.082   3.996  -7.412
    3    H3   GLY   1           HT3      GLY   1  -0.811   5.585  -6.876
    4    HA2  GLY   1           HA2      GLY   1  -0.398   4.584  -4.918
    5    HA3  GLY   1           HA1      GLY   1  -2.158   4.647  -4.792
    6    H    CYS   2           H        CYS   2  -0.180   2.667  -3.751
    7    HA   CYS   2           HA       CYS   2  -1.109   0.237  -5.155
    8    HB2  CYS   2           HB2      CYS   2   0.753  -0.878  -3.967
    9    HB3  CYS   2           HB1      CYS   2   1.276   0.369  -5.094
   10    H    ABA   3           H        ABA   3  -2.969   1.297  -3.654
   11    HA   ABA   3           HA       ABA   3  -2.940   0.344  -0.931
   12    HB3  ABA   3           HB1      ABA   3  -5.152   1.237  -0.756
   13    HB2  ABA   3           HB2      ABA   3  -5.339   1.284  -2.508
   14    HG1  ABA   3           HG       ABA   3  -3.725   3.153  -2.655
   15    H    SER   4           H        SER   4  -3.904  -0.865  -4.026
   16    HA   SER   4           HA       SER   4  -5.807  -2.791  -3.230
   17    HB2  SER   4           HB2      SER   4  -5.325  -3.870  -5.372
   18    HB3  SER   4           HB1      SER   4  -5.435  -2.124  -5.580
   19    HG   SER   4           HG       SER   4  -3.403  -3.740  -6.144
   20    H    ASP   5           H        ASP   5  -2.294  -2.785  -3.216
   21    HA   ASP   5           HA       ASP   5  -2.325  -5.557  -2.259
   22    HB2  ASP   5           HB2      ASP   5  -0.036  -3.955  -3.369
   23    HB3  ASP   5           HB1      ASP   5   0.056  -5.625  -2.796
   24    HA   PRO   6           HA       PRO   6  -1.399  -3.581   1.725
   25    HB2  PRO   6           HB2      PRO   6  -1.395  -5.845   3.261
   26    HB3  PRO   6           HB1      PRO   6  -2.880  -5.047   2.707
   27    HG2  PRO   6           HG2      PRO   6  -1.522  -7.468   1.643
   28    HG3  PRO   6           HG1      PRO   6  -3.250  -7.119   1.814
   29    HD2  PRO   6           HD2      PRO   6  -1.878  -6.931  -0.561
   30    HD3  PRO   6           HD1      PRO   6  -3.361  -6.016  -0.200
   31    H    ARG   7           H        ARG   7   0.474  -5.894   0.039
   32    HA   ARG   7           HA       ARG   7   2.654  -6.000   1.932
   33    HB2  ARG   7           HB2      ARG   7   2.497  -6.869  -0.968
   34    HB3  ARG   7           HB1      ARG   7   3.819  -7.235   0.138
   35    HG2  ARG   7           HG2      ARG   7   1.031  -7.945   0.965
   36    HG3  ARG   7           HG1      ARG   7   1.844  -8.970  -0.216
   37    HD2  ARG   7           HD2      ARG   7   3.039  -8.208   2.465
   38    HD3  ARG   7           HD1      ARG   7   2.173  -9.710   2.165
   39    HE   ARG   7           HE       ARG   7   4.151  -9.546   0.218
   40   HH11  ARG   7          1HH2      ARG   7   3.901  -9.644   3.668
   41   HH12  ARG   7          2HH2      ARG   7   5.423 -10.440   3.892
   42   HH21  ARG   7          1HH1      ARG   7   6.148 -10.589   0.505
   43   HH22  ARG   7          2HH1      ARG   7   6.695 -10.976   2.102
   44    H    CYS   8           H        CYS   8   1.582  -3.784  -0.400
   45    HA   CYS   8           HA       CYS   8   4.057  -2.785  -1.362
   46    HB2  CYS   8           HB2      CYS   8   1.911  -2.281  -2.454
   47    HB3  CYS   8           HB1      CYS   8   1.401  -1.361  -1.039
   48    H    ARG   9           H        ARG   9   5.492  -1.396  -0.496
   49    HA   ARG   9           HA       ARG   9   5.515  -0.877   2.273
   50    HB2  ARG   9           HB2      ARG   9   7.053   0.364  -0.015
   51    HB3  ARG   9           HB1      ARG   9   7.371   0.733   1.681
   52    HG2  ARG   9           HG2      ARG   9   7.906  -1.576   2.154
   53    HG3  ARG   9           HG1      ARG   9   7.393  -2.074   0.541
   54    HD2  ARG   9           HD2      ARG   9   9.836  -1.912   0.631
   55    HD3  ARG   9           HD1      ARG   9   9.185  -0.680  -0.447
   56    HE   ARG   9           HE       ARG   9   9.487   0.326   2.212
   57   HH11  ARG   9          1HH2      ARG   9  11.182  -0.523  -0.682
   58   HH12  ARG   9          2HH2      ARG   9  12.477   0.597  -0.417
   59   HH21  ARG   9          1HH1      ARG   9  11.181   1.797   2.567
   60   HH22  ARG   9          2HH1      ARG   9  12.477   1.910   1.423
   61    H    TYR  10           H        TYR  10   4.547   1.110  -0.490
   62    HA   TYR  10           HA       TYR  10   3.981   3.423   1.151
   63    HB2  TYR  10           HB2      TYR  10   4.708   3.747  -1.153
   64    HB3  TYR  10           HB1      TYR  10   3.332   2.815  -1.745
   65    HD1  TYR  10           HD2      TYR  10   4.267   5.891   0.148
   66    HD2  TYR  10           HD1      TYR  10   1.208   3.823  -2.048
   67    HE1  TYR  10           HE2      TYR  10   2.867   7.938   0.171
   68    HE2  TYR  10           HE1      TYR  10  -0.193   5.870  -2.024
   69    HH   TYR  10           HH       TYR  10   0.999   8.894  -0.563
   70    H    ARG  11           H        ARG  11   2.101   3.928   2.107
   71    HA   ARG  11           HA       ARG  11  -0.233   2.189   1.564
   72    HB2  ARG  11           HB2      ARG  11   0.565   3.689   4.069
   73    HB3  ARG  11           HB1      ARG  11  -0.969   2.843   3.863
   74    HG2  ARG  11           HG2      ARG  11   0.240   0.733   3.457
   75    HG3  ARG  11           HG1      ARG  11   1.778   1.574   3.658
   76    HD2  ARG  11           HD2      ARG  11   1.142   2.181   5.966
   77    HD3  ARG  11           HD1      ARG  11  -0.388   1.332   5.766
   78    HE   ARG  11           HE       ARG  11   1.714  -0.451   5.171
   79   HH11  ARG  11          1HH2      ARG  11   0.331   1.316   7.805
   80   HH12  ARG  11          2HH2      ARG  11   0.805   0.163   9.009
   81   HH21  ARG  11          1HH1      ARG  11   2.339  -1.967   6.743
   82   HH22  ARG  11          2HH1      ARG  11   1.942  -1.696   8.406
   83    H    ABA  12           H        ABA  12  -2.187   3.098   1.111
   84    HA   ABA  12           HA       ABA  12  -2.200   6.017   0.666
   85    HB3  ABA  12           HB1      ABA  12  -2.603   4.826  -1.372
   86    HB2  ABA  12           HB2      ABA  12  -4.150   5.490  -0.847
   87    HG1  ABA  12           HG       ABA  12  -4.253   2.997   0.352
   88    H    ARG  13           H        ARG  13  -4.867   6.511   0.500
   89    HA   ARG  13           HA       ARG  13  -5.671   6.305   3.302
   90    HB2  ARG  13           HB2      ARG  13  -5.766   8.505   2.219
   91    HB3  ARG  13           HB1      ARG  13  -6.872   7.868   1.002
   92    HG2  ARG  13           HG2      ARG  13  -8.563   7.426   2.681
   93    HG3  ARG  13           HG1      ARG  13  -7.446   7.847   3.979
   94    HD2  ARG  13           HD2      ARG  13  -7.344  10.153   3.191
   95    HD3  ARG  13           HD1      ARG  13  -8.357   9.754   1.807
   96    HE   ARG  13           HE       ARG  13  -9.789   9.026   4.087
   97   HH11  ARG  13          1HH2      ARG  13  -8.413  11.859   2.653
   98   HH12  ARG  13          2HH2      ARG  13  -9.594  12.937   3.318
   99   HH21  ARG  13          1HH1      ARG  13 -11.342  10.434   4.962
  100   HH22  ARG  13          2HH1      ARG  13 -11.252  12.131   4.625
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  -0.940   3.560  -9.315
    2    H2   GLY   1           HT2      GLY   1  -1.711   3.839  -7.828
    3    H3   GLY   1           HT3      GLY   1  -1.884   2.340  -8.610
    4    HA2  GLY   1           HA2      GLY   1   0.755   2.415  -8.409
    5    HA3  GLY   1           HA1      GLY   1   0.302   3.350  -6.983
    6    H    CYS   2           H        CYS   2   1.155   1.569  -5.715
    7    HA   CYS   2           HA       CYS   2  -0.611  -0.804  -5.639
    8    HB2  CYS   2           HB2      CYS   2   1.204  -1.935  -4.513
    9    HB3  CYS   2           HB1      CYS   2   1.742  -1.295  -6.061
   10    H    ABA   3           H        ABA   3  -1.659   1.327  -4.550
   11    HA   ABA   3           HA       ABA   3  -1.063   1.521  -1.722
   12    HB3  ABA   3           HB1      ABA   3  -2.952   2.895  -3.586
   13    HB2  ABA   3           HB2      ABA   3  -1.736   3.587  -2.513
   14    HG1  ABA   3           HG       ABA   3  -4.360   2.355  -1.540
   15    H    SER   4           H        SER   4  -3.503   0.087  -3.794
   16    HA   SER   4           HA       SER   4  -5.341  -0.645  -1.766
   17    HB2  SER   4           HB2      SER   4  -6.274  -2.164  -3.430
   18    HB3  SER   4           HB1      SER   4  -5.898  -0.615  -4.179
   19    HG   SER   4           HG       SER   4  -4.585  -1.645  -5.442
   20    H    ASP   5           H        ASP   5  -2.289  -1.939  -2.738
   21    HA   ASP   5           HA       ASP   5  -2.819  -4.469  -1.405
   22    HB2  ASP   5           HB2      ASP   5  -0.396  -3.532  -2.918
   23    HB3  ASP   5           HB1      ASP   5  -0.610  -5.144  -2.222
   24    HA   PRO   6           HA       PRO   6  -0.888  -2.604   2.262
   25    HB2  PRO   6           HB2      PRO   6  -1.215  -4.726   3.962
   26    HB3  PRO   6           HB1      PRO   6  -2.528  -3.613   3.533
   27    HG2  PRO   6           HG2      PRO   6  -1.949  -6.342   2.508
   28    HG3  PRO   6           HG1      PRO   6  -3.504  -5.566   2.859
   29    HD2  PRO   6           HD2      PRO   6  -2.462  -5.838   0.324
   30    HD3  PRO   6           HD1      PRO   6  -3.625  -4.575   0.788
   31    H    ARG   7           H        ARG   7   0.107  -5.414   0.575
   32    HA   ARG   7           HA       ARG   7   2.454  -5.941   2.173
   33    HB2  ARG   7           HB2      ARG   7   1.557  -6.936  -0.538
   34    HB3  ARG   7           HB1      ARG   7   3.040  -7.465   0.258
   35    HG2  ARG   7           HG2      ARG   7   1.718  -8.236   2.202
   36    HG3  ARG   7           HG1      ARG   7   0.238  -7.725   1.389
   37    HD2  ARG   7           HD2      ARG   7   0.719  -9.287  -0.464
   38    HD3  ARG   7           HD1      ARG   7   2.189  -9.803   0.358
   39    HE   ARG   7           HE       ARG   7  -0.537 -10.537   1.056
   40   HH11  ARG   7          1HH2      ARG   7   2.779 -10.280   2.013
   41   HH12  ARG   7          2HH2      ARG   7   2.654 -11.473   3.262
   42   HH21  ARG   7          1HH1      ARG   7  -0.707 -12.103   2.693
   43   HH22  ARG   7          2HH1      ARG   7   0.681 -12.505   3.648
   44    H    CYS   8           H        CYS   8   1.609  -3.672  -0.210
   45    HA   CYS   8           HA       CYS   8   4.258  -3.382  -1.348
   46    HB2  CYS   8           HB2      CYS   8   1.969  -2.842  -2.460
   47    HB3  CYS   8           HB1      CYS   8   2.075  -1.326  -1.566
   48    H    ARG   9           H        ARG   9   5.407  -1.276  -1.243
   49    HA   ARG   9           HA       ARG   9   6.019  -0.570   1.411
   50    HB2  ARG   9           HB2      ARG   9   6.566   0.837  -1.208
   51    HB3  ARG   9           HB1      ARG   9   7.223   1.374   0.338
   52    HG2  ARG   9           HG2      ARG   9   8.324  -0.794   0.652
   53    HG3  ARG   9           HG1      ARG   9   7.626  -1.385  -0.856
   54    HD2  ARG   9           HD2      ARG   9   9.925  -0.661  -1.249
   55    HD3  ARG   9           HD1      ARG   9   8.812   0.417  -2.086
   56    HE   ARG   9           HE       ARG   9   9.452   2.134  -0.640
   57   HH11  ARG   9          1HH2      ARG   9  10.580  -0.951   0.451
   58   HH12  ARG   9          2HH2      ARG   9  11.605  -0.294   1.683
   59   HH21  ARG   9          1HH1      ARG   9  10.796   3.002   0.973
   60   HH22  ARG   9          2HH1      ARG   9  11.728   1.943   1.977
   61    H    TYR  10           H        TYR  10   3.902   0.936  -0.992
   62    HA   TYR  10           HA       TYR  10   3.065   2.922   1.029
   63    HB2  TYR  10           HB2      TYR  10   3.863   3.617  -1.330
   64    HB3  TYR  10           HB1      TYR  10   2.314   2.984  -1.887
   65    HD1  TYR  10           HD1      TYR  10   0.173   3.963  -1.027
   66    HD2  TYR  10           HD2      TYR  10   4.007   5.661  -0.090
   67    HE1  TYR  10           HE1      TYR  10  -0.932   6.064  -0.306
   68    HE2  TYR  10           HE2      TYR  10   2.900   7.760   0.631
   69    HH   TYR  10           HH       TYR  10  -0.645   8.126   0.446
   70    H    ARG  11           H        ARG  11   1.043   2.893   1.841
   71    HA   ARG  11           HA       ARG  11  -0.971   1.160   0.566
   72    HB2  ARG  11           HB2      ARG  11  -1.621   0.265   2.749
   73    HB3  ARG  11           HB1      ARG  11   0.068  -0.112   2.411
   74    HG2  ARG  11           HG2      ARG  11   0.754   1.856   3.769
   75    HG3  ARG  11           HG1      ARG  11  -0.939   2.161   4.157
   76    HD2  ARG  11           HD2      ARG  11  -1.104  -0.070   5.195
   77    HD3  ARG  11           HD1      ARG  11   0.589  -0.373   4.817
   78    HE   ARG  11           HE       ARG  11   0.393   2.031   6.289
   79   HH11  ARG  11          1HH2      ARG  11  -0.023  -1.389   6.600
   80   HH12  ARG  11          2HH2      ARG  11   0.373  -1.424   8.286
   81   HH21  ARG  11          1HH1      ARG  11   0.915   1.994   8.499
   82   HH22  ARG  11          2HH1      ARG  11   0.906   0.492   9.361
   83    H    ABA  12           H        ABA  12  -3.149   1.726   1.022
   84    HA   ABA  12           HA       ABA  12  -3.518   4.377   2.281
   85    HB3  ABA  12           HB1      ABA  12  -4.581   5.251   0.475
   86    HB2  ABA  12           HB2      ABA  12  -5.315   3.713   0.031
   87    HG1  ABA  12           HG       ABA  12  -2.526   4.659  -0.726
   88    H    ARG  13           H        ARG  13  -5.644   4.762   3.126
   89    HA   ARG  13           HA       ARG  13  -6.859   2.320   4.160
   90    HB2  ARG  13           HB2      ARG  13  -8.083   3.811   5.655
   91    HB3  ARG  13           HB1      ARG  13  -6.367   4.213   5.682
   92    HG2  ARG  13           HG2      ARG  13  -6.826   5.994   3.966
   93    HG3  ARG  13           HG1      ARG  13  -8.548   5.659   4.151
   94    HD2  ARG  13           HD2      ARG  13  -8.415   6.206   6.542
   95    HD3  ARG  13           HD1      ARG  13  -6.686   6.510   6.386
   96    HE   ARG  13           HE       ARG  13  -7.175   8.550   5.352
   97   HH11  ARG  13          1HH2      ARG  13  -9.990   6.569   5.712
   98   HH12  ARG  13          2HH2      ARG  13 -11.100   7.830   5.288
   99   HH21  ARG  13          1HH1      ARG  13  -8.624  10.207   4.795
  100   HH22  ARG  13          2HH1      ARG  13 -10.326   9.889   4.768
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   2.899   4.646  -6.167
    2    H2   GLY   1           HT2      GLY   1   1.295   5.207  -6.192
    3    H3   GLY   1           HT3      GLY   1   1.701   3.751  -6.968
    4    HA2  GLY   1           HA2      GLY   1   2.536   3.192  -4.510
    5    HA3  GLY   1           HA1      GLY   1   1.194   4.283  -4.162
    6    H    CYS   2           H        CYS   2   1.561   1.283  -3.885
    7    HA   CYS   2           HA       CYS   2  -0.711   0.401  -5.551
    8    HB2  CYS   2           HB2      CYS   2   0.325  -1.899  -4.513
    9    HB3  CYS   2           HB1      CYS   2   0.771  -1.223  -6.075
   10    H    ABA   3           H        ABA   3  -2.093   1.517  -3.986
   11    HA   ABA   3           HA       ABA   3  -2.314   0.584  -1.295
   12    HB3  ABA   3           HB1      ABA   3  -4.674   1.685  -1.584
   13    HB2  ABA   3           HB2      ABA   3  -4.004   2.273  -3.106
   14    HG1  ABA   3           HG       ABA   3  -1.991   3.128  -1.571
   15    H    SER   4           H        SER   4  -3.096  -0.819  -4.249
   16    HA   SER   4           HA       SER   4  -5.519  -2.158  -3.559
   17    HB2  SER   4           HB2      SER   4  -5.125  -3.487  -5.551
   18    HB3  SER   4           HB1      SER   4  -4.740  -1.804  -5.898
   19    HG   SER   4           HG       SER   4  -2.710  -2.327  -6.134
   20    H    ASP   5           H        ASP   5  -2.190  -2.697  -2.831
   21    HA   ASP   5           HA       ASP   5  -2.885  -5.306  -1.675
   22    HB2  ASP   5           HB2      ASP   5  -1.439  -5.977  -3.326
   23    HB3  ASP   5           HB1      ASP   5  -0.502  -4.485  -3.250
   24    HA   PRO   6           HA       PRO   6  -1.609  -3.443   2.175
   25    HB2  PRO   6           HB2      PRO   6  -1.258  -5.716   3.663
   26    HB3  PRO   6           HB1      PRO   6  -2.853  -5.051   3.261
   27    HG2  PRO   6           HG2      PRO   6  -1.376  -7.322   2.033
   28    HG3  PRO   6           HG1      PRO   6  -3.109  -7.141   2.355
   29    HD2  PRO   6           HD2      PRO   6  -1.997  -6.798  -0.126
   30    HD3  PRO   6           HD1      PRO   6  -3.494  -5.990   0.409
   31    H    ARG   7           H        ARG   7   0.335  -5.874   0.588
   32    HA   ARG   7           HA       ARG   7   2.651  -5.499   2.260
   33    HB2  ARG   7           HB2      ARG   7   2.337  -6.865  -0.429
   34    HB3  ARG   7           HB1      ARG   7   3.778  -6.937   0.584
   35    HG2  ARG   7           HG2      ARG   7   1.126  -7.706   1.759
   36    HG3  ARG   7           HG1      ARG   7   1.983  -8.862   0.739
   37    HD2  ARG   7           HD2      ARG   7   3.113  -7.512   3.212
   38    HD3  ARG   7           HD1      ARG   7   2.572  -9.181   3.117
   39    HE   ARG   7           HE       ARG   7   5.053  -8.104   2.067
   40   HH11  ARG   7          1HH2      ARG   7   2.681 -10.623   1.964
   41   HH12  ARG   7          2HH2      ARG   7   3.762 -11.802   1.300
   42   HH21  ARG   7          1HH1      ARG   7   6.476  -9.646   1.197
   43   HH22  ARG   7          2HH1      ARG   7   5.910 -11.250   0.866
   44    H    CYS   8           H        CYS   8   1.217  -3.673  -0.156
   45    HA   CYS   8           HA       CYS   8   3.427  -2.748  -1.646
   46    HB2  CYS   8           HB2      CYS   8   1.139  -2.323  -2.355
   47    HB3  CYS   8           HB1      CYS   8   0.845  -1.341  -0.921
   48    H    ARG   9           H        ARG   9   5.024  -1.373  -1.202
   49    HA   ARG   9           HA       ARG   9   5.639  -0.623   1.427
   50    HB2  ARG   9           HB2      ARG   9   7.441   0.687   0.460
   51    HB3  ARG   9           HB1      ARG   9   7.294  -0.831  -0.427
   52    HG2  ARG   9           HG2      ARG   9   5.818   0.407  -2.082
   53    HG3  ARG   9           HG1      ARG   9   6.292   1.900  -1.270
   54    HD2  ARG   9           HD2      ARG   9   7.760   1.546  -3.176
   55    HD3  ARG   9           HD1      ARG   9   8.683   1.324  -1.693
   56    HE   ARG   9           HE       ARG   9   7.612  -1.160  -2.607
   57   HH11  ARG   9          1HH2      ARG   9  10.057   1.218  -3.190
   58   HH12  ARG   9          2HH2      ARG   9  11.172   0.099  -3.900
   59   HH21  ARG   9          1HH1      ARG   9   9.068  -2.633  -3.539
   60   HH22  ARG   9          2HH1      ARG   9  10.611  -2.082  -4.099
   61    H    TYR  10           H        TYR  10   3.647   0.896  -0.956
   62    HA   TYR  10           HA       TYR  10   3.642   3.453   0.486
   63    HB2  TYR  10           HB2      TYR  10   3.770   3.459  -1.995
   64    HB3  TYR  10           HB1      TYR  10   2.198   2.663  -2.054
   65    HD1  TYR  10           HD2      TYR  10   3.927   5.707  -0.742
   66    HD2  TYR  10           HD1      TYR  10   0.208   3.923  -1.944
   67    HE1  TYR  10           HE2      TYR  10   2.802   7.907  -0.527
   68    HE2  TYR  10           HE1      TYR  10  -0.915   6.125  -1.731
   69    HH   TYR  10           HH       TYR  10  -0.295   8.516  -1.778
   70    H    ARG  11           H        ARG  11   2.288   3.644   2.145
   71    HA   ARG  11           HA       ARG  11  -0.079   1.949   2.332
   72    HB2  ARG  11           HB2      ARG  11   1.168   3.941   4.236
   73    HB3  ARG  11           HB1      ARG  11  -0.305   3.036   4.587
   74    HG2  ARG  11           HG2      ARG  11   0.920   0.916   4.279
   75    HG3  ARG  11           HG1      ARG  11   2.396   1.819   3.931
   76    HD2  ARG  11           HD2      ARG  11   2.317   2.836   6.169
   77    HD3  ARG  11           HD1      ARG  11   0.827   1.965   6.520
   78    HE   ARG  11           HE       ARG  11   2.083   0.025   6.842
   79   HH11  ARG  11          1HH2      ARG  11   3.958   2.541   5.382
   80   HH12  ARG  11          2HH2      ARG  11   5.468   1.715   5.570
   81   HH21  ARG  11          1HH1      ARG  11   4.061  -1.065   7.091
   82   HH22  ARG  11          2HH1      ARG  11   5.526  -0.327   6.537
   83    H    ABA  12           H        ABA  12  -2.181   2.657   2.281
   84    HA   ABA  12           HA       ABA  12  -2.877   5.436   2.253
   85    HB3  ABA  12           HB1      ABA  12  -1.947   4.815  -0.108
   86    HB2  ABA  12           HB2      ABA  12  -3.438   5.740   0.021
   87    HG1  ABA  12           HG       ABA  12  -4.739   3.568  -0.300
   88    H    ARG  13           H        ARG  13  -5.289   5.631   1.536
   89    HA   ARG  13           HA       ARG  13  -6.732   3.496   2.945
   90    HB2  ARG  13           HB2      ARG  13  -8.016   6.046   2.027
   91    HB3  ARG  13           HB1      ARG  13  -8.366   5.070   3.453
   92    HG2  ARG  13           HG2      ARG  13  -5.864   6.743   3.040
   93    HG3  ARG  13           HG1      ARG  13  -7.216   7.173   4.083
   94    HD2  ARG  13           HD2      ARG  13  -5.412   4.756   4.391
   95    HD3  ARG  13           HD1      ARG  13  -5.442   6.173   5.431
   96    HE   ARG  13           HE       ARG  13  -7.347   3.984   5.434
   97   HH11  ARG  13          1HH2      ARG  13  -6.673   7.277   6.255
   98   HH12  ARG  13          2HH2      ARG  13  -7.863   7.353   7.510
   99   HH21  ARG  13          1HH1      ARG  13  -8.911   4.076   7.079
  100   HH22  ARG  13          2HH1      ARG  13  -9.131   5.540   7.977
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   0.951   5.008  -2.789
    2    H2   GLY   1           HT2      GLY   1  -0.513   4.414  -3.413
    3    H3   GLY   1           HT3      GLY   1   0.290   5.693  -4.192
    4    HA2  GLY   1           HA2      GLY   1   1.526   4.316  -5.387
    5    HA3  GLY   1           HA1      GLY   1   2.011   3.450  -3.928
    6    H    CYS   2           H        CYS   2   1.150   1.490  -3.526
    7    HA   CYS   2           HA       CYS   2  -0.976   0.537  -5.340
    8    HB2  CYS   2           HB2      CYS   2   0.156  -1.728  -4.262
    9    HB3  CYS   2           HB1      CYS   2   0.545  -1.039  -5.831
   10    H    ABA   3           H        ABA   3  -2.484   1.540  -3.830
   11    HA   ABA   3           HA       ABA   3  -2.795   0.729  -1.144
   12    HB3  ABA   3           HB1      ABA   3  -5.342   1.307  -1.936
   13    HB2  ABA   3           HB2      ABA   3  -4.408   2.135  -3.177
   14    HG1  ABA   3           HG       ABA   3  -3.906   3.814  -1.604
   15    H    SER   4           H        SER   4  -3.658  -0.750  -4.166
   16    HA   SER   4           HA       SER   4  -5.684  -2.504  -3.308
   17    HB2  SER   4           HB2      SER   4  -5.185  -3.771  -5.337
   18    HB3  SER   4           HB1      SER   4  -5.192  -2.042  -5.674
   19    HG   SER   4           HG       SER   4  -2.899  -2.101  -5.443
   20    H    ASP   5           H        ASP   5  -2.166  -2.777  -3.135
   21    HA   ASP   5           HA       ASP   5  -2.450  -5.511  -2.092
   22    HB2  ASP   5           HB2      ASP   5  -0.018  -3.992  -3.032
   23    HB3  ASP   5           HB1      ASP   5   0.019  -5.630  -2.387
   24    HA   PRO   6           HA       PRO   6  -1.719  -3.828   1.990
   25    HB2  PRO   6           HB2      PRO   6  -1.204  -6.125   3.358
   26    HB3  PRO   6           HB1      PRO   6  -2.835  -5.676   2.821
   27    HG2  PRO   6           HG2      PRO   6  -0.903  -7.594   1.612
   28    HG3  PRO   6           HG1      PRO   6  -2.661  -7.727   1.802
   29    HD2  PRO   6           HD2      PRO   6  -1.455  -7.018  -0.562
   30    HD3  PRO   6           HD1      PRO   6  -3.096  -6.509  -0.109
   31    H    ARG   7           H        ARG   7   0.591  -5.954   0.425
   32    HA   ARG   7           HA       ARG   7   2.749  -5.372   2.251
   33    HB2  ARG   7           HB2      ARG   7   2.658  -6.777  -0.425
   34    HB3  ARG   7           HB1      ARG   7   4.122  -6.603   0.544
   35    HG2  ARG   7           HG2      ARG   7   3.031  -7.768   2.420
   36    HG3  ARG   7           HG1      ARG   7   1.559  -7.937   1.463
   37    HD2  ARG   7           HD2      ARG   7   2.804  -9.252  -0.215
   38    HD3  ARG   7           HD1      ARG   7   4.269  -9.091   0.748
   39    HE   ARG   7           HE       ARG   7   2.011 -10.836   1.303
   40   HH11  ARG   7          1HH2      ARG   7   4.825  -9.203   2.482
   41   HH12  ARG   7          2HH2      ARG   7   5.063 -10.283   3.816
   42   HH21  ARG   7          1HH1      ARG   7   2.317 -12.257   3.050
   43   HH22  ARG   7          2HH1      ARG   7   3.643 -12.012   4.137
   44    H    CYS   8           H        CYS   8   1.272  -3.634  -0.161
   45    HA   CYS   8           HA       CYS   8   3.326  -2.490  -1.653
   46    HB2  CYS   8           HB2      CYS   8   0.947  -2.079  -2.102
   47    HB3  CYS   8           HB1      CYS   8   0.813  -1.162  -0.605
   48    H    ARG   9           H        ARG   9   4.801  -0.898  -1.306
   49    HA   ARG   9           HA       ARG   9   5.707  -0.386   1.303
   50    HB2  ARG   9           HB2      ARG   9   6.225   1.019  -1.325
   51    HB3  ARG   9           HB1      ARG   9   7.046   1.460   0.172
   52    HG2  ARG   9           HG2      ARG   9   7.022  -1.424  -0.630
   53    HG3  ARG   9           HG1      ARG   9   8.103  -0.326  -1.488
   54    HD2  ARG   9           HD2      ARG   9   8.000  -0.549   1.533
   55    HD3  ARG   9           HD1      ARG   9   9.140  -1.436   0.528
   56    HE   ARG   9           HE       ARG   9   9.353   1.256  -0.179
   57   HH11  ARG   9          1HH2      ARG   9   9.809  -0.780   2.582
   58   HH12  ARG   9          2HH2      ARG   9  11.065   0.197   3.266
   59   HH21  ARG   9          1HH1      ARG   9  10.998   2.542   0.712
   60   HH22  ARG   9          2HH1      ARG   9  11.738   2.078   2.209
   61    H    TYR  10           H        TYR  10   3.622   1.483  -0.861
   62    HA   TYR  10           HA       TYR  10   3.321   3.568   1.181
   63    HB2  TYR  10           HB2      TYR  10   3.609   4.109  -1.286
   64    HB3  TYR  10           HB1      TYR  10   2.000   3.432  -1.538
   65    HD1  TYR  10           HD1      TYR  10   3.850   5.951   0.511
   66    HD2  TYR  10           HD2      TYR  10   0.086   4.767  -1.187
   67    HE1  TYR  10           HE1      TYR  10   2.845   8.099   1.241
   68    HE2  TYR  10           HE2      TYR  10  -0.918   6.914  -0.457
   69    HH   TYR  10           HH       TYR  10   0.747   9.545   0.332
   70    H    ARG  11           H        ARG  11   1.973   2.963   2.775
   71    HA   ARG  11           HA       ARG  11  -0.217   1.156   2.402
   72    HB2  ARG  11           HB2      ARG  11   0.625   2.952   4.668
   73    HB3  ARG  11           HB1      ARG  11  -0.808   1.931   4.750
   74    HG2  ARG  11           HG2      ARG  11   0.632  -0.052   4.237
   75    HG3  ARG  11           HG1      ARG  11   2.046   1.002   4.313
   76    HD2  ARG  11           HD2      ARG  11   0.067   0.678   6.582
   77    HD3  ARG  11           HD1      ARG  11   1.571  -0.221   6.458
   78    HE   ARG  11           HE       ARG  11   2.788   1.795   6.798
   79   HH11  ARG  11          1HH2      ARG  11  -0.648   2.205   6.908
   80   HH12  ARG  11          2HH2      ARG  11  -0.572   3.729   7.718
   81   HH21  ARG  11          1HH1      ARG  11   2.891   3.793   7.853
   82   HH22  ARG  11          2HH1      ARG  11   1.429   4.634   8.248
   83    H    ABA  12           H        ABA  12  -0.709   2.930   0.519
   84    HA   ABA  12           HA       ABA  12  -2.243   4.378  -0.346
   85    HB3  ABA  12           HB1      ABA  12  -4.455   4.400   0.922
   86    HB2  ABA  12           HB2      ABA  12  -3.713   3.249   2.019
   87    HG1  ABA  12           HG       ABA  12  -4.041   1.541   0.431
   88    H    ARG  13           H        ARG  13  -0.570   5.048   2.298
   89    HA   ARG  13           HA       ARG  13  -1.282   7.856   2.233
   90    HB2  ARG  13           HB2      ARG  13  -1.892   8.113   4.517
   91    HB3  ARG  13           HB1      ARG  13  -2.853   6.762   3.919
   92    HG2  ARG  13           HG2      ARG  13  -1.027   5.225   4.812
   93    HG3  ARG  13           HG1      ARG  13  -0.352   6.636   5.620
   94    HD2  ARG  13           HD2      ARG  13  -2.509   7.001   6.774
   95    HD3  ARG  13           HD1      ARG  13  -3.156   5.558   6.000
   96    HE   ARG  13           HE       ARG  13  -0.739   4.951   7.382
   97   HH11  ARG  13          1HH2      ARG  13  -4.088   5.692   7.839
   98   HH12  ARG  13          2HH2      ARG  13  -4.219   4.816   9.327
   99   HH21  ARG  13          1HH1      ARG  13  -0.904   3.801   9.330
  100   HH22  ARG  13          2HH1      ARG  13  -2.417   3.746  10.172
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  -1.074   6.130  -6.257
    2    H2   GLY   1           HT2      GLY   1  -2.369   5.065  -6.529
    3    H3   GLY   1           HT3      GLY   1  -0.791   4.618  -6.972
    4    HA2  GLY   1           HA2      GLY   1  -0.164   4.779  -4.569
    5    HA3  GLY   1           HA1      GLY   1  -1.891   4.922  -4.238
    6    H    CYS   2           H        CYS   2  -0.044   2.777  -3.472
    7    HA   CYS   2           HA       CYS   2  -1.161   0.507  -4.996
    8    HB2  CYS   2           HB2      CYS   2   0.671  -0.791  -3.899
    9    HB3  CYS   2           HB1      CYS   2   1.221   0.452  -5.019
   10    H    ABA   3           H        ABA   3  -3.049   1.276  -3.561
   11    HA   ABA   3           HA       ABA   3  -2.976   0.309  -0.824
   12    HB3  ABA   3           HB1      ABA   3  -5.153   1.207  -0.595
   13    HB2  ABA   3           HB2      ABA   3  -5.429   1.191  -2.337
   14    HG1  ABA   3           HG       ABA   3  -3.801   3.068  -2.612
   15    H    SER   4           H        SER   4  -3.921  -0.831  -3.958
   16    HA   SER   4           HA       SER   4  -5.789  -2.806  -3.226
   17    HB2  SER   4           HB2      SER   4  -5.275  -3.827  -5.388
   18    HB3  SER   4           HB1      SER   4  -5.397  -2.077  -5.556
   19    HG   SER   4           HG       SER   4  -3.323  -3.690  -6.079
   20    H    ASP   5           H        ASP   5  -2.267  -2.776  -3.174
   21    HA   ASP   5           HA       ASP   5  -2.296  -5.570  -2.262
   22    HB2  ASP   5           HB2      ASP   5  -0.004  -3.949  -3.347
   23    HB3  ASP   5           HB1      ASP   5   0.085  -5.628  -2.805
   24    HA   PRO   6           HA       PRO   6  -1.368  -3.627   1.718
   25    HB2  PRO   6           HB2      PRO   6  -1.355  -5.887   3.246
   26    HB3  PRO   6           HB1      PRO   6  -2.843  -5.091   2.697
   27    HG2  PRO   6           HG2      PRO   6  -1.489  -7.516   1.636
   28    HG3  PRO   6           HG1      PRO   6  -3.217  -7.165   1.808
   29    HD2  PRO   6           HD2      PRO   6  -1.832  -6.973  -0.571
   30    HD3  PRO   6           HD1      PRO   6  -3.328  -6.074  -0.216
   31    H    ARG   7           H        ARG   7   0.499  -5.951   0.025
   32    HA   ARG   7           HA       ARG   7   2.688  -6.053   1.905
   33    HB2  ARG   7           HB2      ARG   7   2.467  -6.939  -0.981
   34    HB3  ARG   7           HB1      ARG   7   3.858  -7.246   0.060
   35    HG2  ARG   7           HG2      ARG   7   2.414  -8.470   1.640
   36    HG3  ARG   7           HG1      ARG   7   1.017  -8.159   0.608
   37    HD2  ARG   7           HD2      ARG   7   1.843 -10.389   0.128
   38    HD3  ARG   7           HD1      ARG   7   2.194  -9.353  -1.252
   39    HE   ARG   7           HE       ARG   7   4.468  -9.579  -0.788
   40   HH11  ARG   7          1HH2      ARG   7   2.509 -10.727   1.824
   41   HH12  ARG   7          2HH2      ARG   7   3.830 -11.448   2.680
   42   HH21  ARG   7          1HH1      ARG   7   6.207 -10.522   0.331
   43   HH22  ARG   7          2HH1      ARG   7   5.923 -11.332   1.835
   44    H    CYS   8           H        CYS   8   1.605  -3.817  -0.408
   45    HA   CYS   8           HA       CYS   8   4.099  -2.822  -1.358
   46    HB2  CYS   8           HB2      CYS   8   1.947  -2.348  -2.476
   47    HB3  CYS   8           HB1      CYS   8   1.444  -1.391  -1.082
   48    H    ARG   9           H        ARG   9   5.527  -1.417  -0.435
   49    HA   ARG   9           HA       ARG   9   5.455  -0.900   2.307
   50    HB2  ARG   9           HB2      ARG   9   7.546  -0.926   1.114
   51    HB3  ARG   9           HB1      ARG   9   7.022   0.385   0.064
   52    HG2  ARG   9           HG2      ARG   9   8.560   1.189   1.802
   53    HG3  ARG   9           HG1      ARG   9   6.970   1.913   1.987
   54    HD2  ARG   9           HD2      ARG   9   6.426   0.465   3.815
   55    HD3  ARG   9           HD1      ARG   9   7.826  -0.562   3.505
   56    HE   ARG   9           HE       ARG   9   7.793   1.972   4.914
   57   HH11  ARG   9          1HH2      ARG   9   9.642  -0.355   3.145
   58   HH12  ARG   9          2HH2      ARG   9  11.151   0.087   3.871
   59   HH21  ARG   9          1HH1      ARG   9   9.766   2.552   5.880
   60   HH22  ARG   9          2HH1      ARG   9  11.221   1.733   5.419
   61    H    TYR  10           H        TYR  10   4.651   1.168  -0.469
   62    HA   TYR  10           HA       TYR  10   3.917   3.403   1.202
   63    HB2  TYR  10           HB2      TYR  10   4.807   3.794  -1.039
   64    HB3  TYR  10           HB1      TYR  10   3.466   2.892  -1.747
   65    HD1  TYR  10           HD1      TYR  10   4.302   5.897   0.295
   66    HD2  TYR  10           HD2      TYR  10   1.363   3.923  -2.138
   67    HE1  TYR  10           HE1      TYR  10   2.914   7.953   0.302
   68    HE2  TYR  10           HE2      TYR  10  -0.024   5.978  -2.131
   69    HH   TYR  10           HH       TYR  10  -0.329   7.984  -0.753
   70    H    ARG  11           H        ARG  11   1.990   3.827   2.067
   71    HA   ARG  11           HA       ARG  11  -0.309   2.150   1.253
   72    HB2  ARG  11           HB2      ARG  11   0.360   3.398   3.927
   73    HB3  ARG  11           HB1      ARG  11  -1.174   2.610   3.558
   74    HG2  ARG  11           HG2      ARG  11   0.004   0.516   3.040
   75    HG3  ARG  11           HG1      ARG  11   1.552   1.296   3.369
   76    HD2  ARG  11           HD2      ARG  11   0.837   1.728   5.694
   77    HD3  ARG  11           HD1      ARG  11  -0.701   0.935   5.365
   78    HE   ARG  11           HE       ARG  11   1.876  -0.363   5.754
   79   HH11  ARG  11          1HH2      ARG  11  -1.382  -0.557   4.602
   80   HH12  ARG  11          2HH2      ARG  11  -1.458  -2.284   4.695
   81   HH21  ARG  11          1HH1      ARG  11   1.784  -2.630   5.877
   82   HH22  ARG  11          2HH1      ARG  11   0.334  -3.458   5.416
   83    H    ABA  12           H        ABA  12  -2.259   3.118   0.840
   84    HA   ABA  12           HA       ABA  12  -2.175   6.021   0.432
   85    HB3  ABA  12           HB1      ABA  12  -2.889   4.891  -1.519
   86    HB2  ABA  12           HB2      ABA  12  -4.369   5.525  -0.798
   87    HG1  ABA  12           HG       ABA  12  -4.405   3.088   0.385
   88    H    ARG  13           H        ARG  13  -4.289   7.183   0.824
   89    HA   ARG  13           HA       ARG  13  -5.424   6.325   3.414
   90    HB2  ARG  13           HB2      ARG  13  -5.530   8.559   4.116
   91    HB3  ARG  13           HB1      ARG  13  -3.972   8.449   3.305
   92    HG2  ARG  13           HG2      ARG  13  -6.537   9.590   2.136
   93    HG3  ARG  13           HG1      ARG  13  -5.088  10.481   2.584
   94    HD2  ARG  13           HD2      ARG  13  -5.409   8.495   0.332
   95    HD3  ARG  13           HD1      ARG  13  -4.931  10.186   0.231
   96    HE   ARG  13           HE       ARG  13  -3.227   7.943   0.951
   97   HH11  ARG  13          1HH2      ARG  13  -3.751  11.364   0.967
   98   HH12  ARG  13          2HH2      ARG  13  -2.074  11.759   1.146
   99   HH21  ARG  13          1HH1      ARG  13  -1.027   8.453   1.188
  100   HH22  ARG  13          2HH1      ARG  13  -0.531  10.111   1.271
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   1.187   4.009  -6.935
    2    H2   GLY   1           HT2      GLY   1   2.835   4.118  -6.535
    3    H3   GLY   1           HT3      GLY   1   1.751   5.317  -6.012
    4    HA2  GLY   1           HA2      GLY   1   2.542   3.103  -4.602
    5    HA3  GLY   1           HA1      GLY   1   1.208   4.184  -4.202
    6    H    CYS   2           H        CYS   2   1.553   1.205  -3.947
    7    HA   CYS   2           HA       CYS   2  -0.740   0.331  -5.589
    8    HB2  CYS   2           HB2      CYS   2   0.305  -1.977  -4.615
    9    HB3  CYS   2           HB1      CYS   2   0.736  -1.266  -6.161
   10    H    ABA   3           H        ABA   3  -1.967   1.542  -3.856
   11    HA   ABA   3           HA       ABA   3  -2.137   0.589  -1.200
   12    HB3  ABA   3           HB1      ABA   3  -4.558   1.608  -1.458
   13    HB2  ABA   3           HB2      ABA   3  -3.906   2.229  -2.973
   14    HG1  ABA   3           HG       ABA   3  -1.892   3.041  -1.340
   15    H    SER   4           H        SER   4  -3.190  -0.734  -4.164
   16    HA   SER   4           HA       SER   4  -5.465  -2.191  -3.313
   17    HB2  SER   4           HB2      SER   4  -5.132  -3.519  -5.326
   18    HB3  SER   4           HB1      SER   4  -4.860  -1.817  -5.691
   19    HG   SER   4           HG       SER   4  -2.583  -2.293  -5.295
   20    H    ASP   5           H        ASP   5  -2.013  -2.818  -3.108
   21    HA   ASP   5           HA       ASP   5  -2.572  -5.454  -1.942
   22    HB2  ASP   5           HB2      ASP   5   0.015  -4.361  -2.995
   23    HB3  ASP   5           HB1      ASP   5  -0.241  -5.973  -2.313
   24    HA   PRO   6           HA       PRO   6  -1.799  -3.443   2.081
   25    HB2  PRO   6           HB2      PRO   6  -1.368  -6.261   2.925
   26    HB3  PRO   6           HB1      PRO   6  -2.431  -5.026   3.621
   27    HG2  PRO   6           HG2      PRO   6  -3.374  -7.051   2.158
   28    HG3  PRO   6           HG1      PRO   6  -4.112  -5.442   2.135
   29    HD2  PRO   6           HD2      PRO   6  -2.434  -6.772   0.045
   30    HD3  PRO   6           HD1      PRO   6  -3.730  -5.561  -0.105
   31    H    ARG   7           H        ARG   7   0.249  -5.885   0.582
   32    HA   ARG   7           HA       ARG   7   2.503  -5.434   2.327
   33    HB2  ARG   7           HB2      ARG   7   2.313  -6.872  -0.329
   34    HB3  ARG   7           HB1      ARG   7   3.705  -6.909   0.751
   35    HG2  ARG   7           HG2      ARG   7   0.912  -7.810   1.521
   36    HG3  ARG   7           HG1      ARG   7   2.202  -8.900   1.019
   37    HD2  ARG   7           HD2      ARG   7   2.519  -8.990   3.302
   38    HD3  ARG   7           HD1      ARG   7   3.535  -7.601   2.943
   39    HE   ARG   7           HE       ARG   7   2.020  -6.270   4.084
   40   HH11  ARG   7          1HH2      ARG   7   0.605  -9.313   3.241
   41   HH12  ARG   7          2HH2      ARG   7  -0.849  -9.043   4.144
   42   HH21  ARG   7          1HH1      ARG   7   0.116  -5.910   5.269
   43   HH22  ARG   7          2HH1      ARG   7  -1.126  -7.116   5.292
   44    H    CYS   8           H        CYS   8   1.175  -3.730  -0.252
   45    HA   CYS   8           HA       CYS   8   3.425  -2.830  -1.665
   46    HB2  CYS   8           HB2      CYS   8   1.160  -2.409  -2.447
   47    HB3  CYS   8           HB1      CYS   8   0.830  -1.401  -1.040
   48    H    ARG   9           H        ARG   9   4.979  -1.374  -1.235
   49    HA   ARG   9           HA       ARG   9   5.549  -0.588   1.392
   50    HB2  ARG   9           HB2      ARG   9   7.320   0.769   0.428
   51    HB3  ARG   9           HB1      ARG   9   7.224  -0.761  -0.441
   52    HG2  ARG   9           HG2      ARG   9   5.818   0.363  -2.179
   53    HG3  ARG   9           HG1      ARG   9   6.062   1.894  -1.340
   54    HD2  ARG   9           HD2      ARG   9   8.494   1.686  -1.638
   55    HD3  ARG   9           HD1      ARG   9   8.266   0.149  -2.468
   56    HE   ARG   9           HE       ARG   9   6.720   2.102  -3.780
   57   HH11  ARG   9          1HH2      ARG   9  10.016   1.271  -3.132
   58   HH12  ARG   9          2HH2      ARG   9  10.624   1.972  -4.594
   59   HH21  ARG   9          1HH1      ARG   9   7.511   3.023  -5.699
   60   HH22  ARG   9          2HH1      ARG   9   9.207   2.965  -6.048
   61    H    TYR  10           H        TYR  10   3.594   0.929  -1.050
   62    HA   TYR  10           HA       TYR  10   3.547   3.498   0.325
   63    HB2  TYR  10           HB2      TYR  10   3.455   3.313  -2.173
   64    HB3  TYR  10           HB1      TYR  10   1.872   2.551  -2.009
   65    HD1  TYR  10           HD1      TYR  10   3.735   5.589  -0.842
   66    HD2  TYR  10           HD2      TYR  10  -0.035   3.911  -2.034
   67    HE1  TYR  10           HE1      TYR  10   2.683   7.827  -0.666
   68    HE2  TYR  10           HE2      TYR  10  -1.085   6.150  -1.859
   69    HH   TYR  10           HH       TYR  10   0.745   8.952  -0.671
   70    H    ARG  11           H        ARG  11   2.264   3.867   2.006
   71    HA   ARG  11           HA       ARG  11  -0.016   2.099   2.511
   72    HB2  ARG  11           HB2      ARG  11   1.552   2.523   4.355
   73    HB3  ARG  11           HB1      ARG  11   1.228   4.252   4.238
   74    HG2  ARG  11           HG2      ARG  11  -1.099   3.919   4.836
   75    HG3  ARG  11           HG1      ARG  11  -0.904   2.166   4.780
   76    HD2  ARG  11           HD2      ARG  11   0.671   2.253   6.650
   77    HD3  ARG  11           HD1      ARG  11   0.577   4.011   6.675
   78    HE   ARG  11           HE       ARG  11  -2.030   3.090   6.962
   79   HH11  ARG  11          1HH2      ARG  11   1.009   2.826   8.596
   80   HH12  ARG  11          2HH2      ARG  11   0.305   2.654  10.169
   81   HH21  ARG  11          1HH1      ARG  11  -2.960   2.865   9.022
   82   HH22  ARG  11          2HH1      ARG  11  -1.942   2.676  10.411
   83    H    ABA  12           H        ABA  12  -2.068   2.689   2.196
   84    HA   ABA  12           HA       ABA  12  -2.891   5.460   2.287
   85    HB3  ABA  12           HB1      ABA  12  -1.938   4.894  -0.082
   86    HB2  ABA  12           HB2      ABA  12  -3.455   5.780   0.062
   87    HG1  ABA  12           HG       ABA  12  -4.722   3.658  -0.361
   88    H    ARG  13           H        ARG  13  -5.210   5.704   2.160
   89    HA   ARG  13           HA       ARG  13  -6.594   3.521   3.412
   90    HB2  ARG  13           HB2      ARG  13  -7.505   6.229   2.417
   91    HB3  ARG  13           HB1      ARG  13  -8.572   5.081   3.227
   92    HG2  ARG  13           HG2      ARG  13  -7.109   5.078   5.199
   93    HG3  ARG  13           HG1      ARG  13  -6.002   6.190   4.393
   94    HD2  ARG  13           HD2      ARG  13  -7.775   7.885   4.261
   95    HD3  ARG  13           HD1      ARG  13  -8.908   6.776   5.028
   96    HE   ARG  13           HE       ARG  13  -6.660   7.057   6.705
   97   HH11  ARG  13          1HH2      ARG  13  -9.322   8.870   5.438
   98   HH12  ARG  13          2HH2      ARG  13  -9.432   9.926   6.805
   99   HH21  ARG  13          1HH1      ARG  13  -6.799   8.439   8.501
  100   HH22  ARG  13          2HH1      ARG  13  -8.004   9.683   8.540
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1  -2.208   4.050  -5.245
    2    H2   GLY   1           HT2      GLY   1  -2.626   4.315  -6.870
    3    H3   GLY   1           HT3      GLY   1  -1.590   5.397  -6.070
    4    HA2  GLY   1           HA2      GLY   1  -0.612   3.629  -7.676
    5    HA3  GLY   1           HA1      GLY   1   0.206   3.999  -6.156
    6    H    CYS   2           H        CYS   2   0.924   2.163  -5.257
    7    HA   CYS   2           HA       CYS   2  -0.513  -0.347  -5.656
    8    HB2  CYS   2           HB2      CYS   2   2.039  -0.032  -5.731
    9    HB3  CYS   2           HB1      CYS   2   1.940   0.053  -3.973
   10    H    ABA   3           H        ABA   3  -2.086   1.321  -4.267
   11    HA   ABA   3           HA       ABA   3  -1.772   0.899  -1.405
   12    HB3  ABA   3           HB1      ABA   3  -4.305   1.968  -2.558
   13    HB2  ABA   3           HB2      ABA   3  -2.851   2.952  -2.725
   14    HG1  ABA   3           HG       ABA   3  -3.209   1.895   0.036
   15    H    SER   4           H        SER   4  -3.401  -0.549  -4.092
   16    HA   SER   4           HA       SER   4  -5.506  -1.851  -2.739
   17    HB2  SER   4           HB2      SER   4  -5.601  -3.315  -4.688
   18    HB3  SER   4           HB1      SER   4  -5.350  -1.651  -5.207
   19    HG   SER   4           HG       SER   4  -3.099  -3.210  -4.674
   20    H    ASP   5           H        ASP   5  -2.091  -2.517  -2.946
   21    HA   ASP   5           HA       ASP   5  -2.498  -5.157  -1.739
   22    HB2  ASP   5           HB2      ASP   5  -0.025  -3.948  -2.976
   23    HB3  ASP   5           HB1      ASP   5  -0.130  -5.569  -2.286
   24    HA   PRO   6           HA       PRO   6  -1.281  -3.106   2.099
   25    HB2  PRO   6           HB2      PRO   6  -1.342  -5.283   3.745
   26    HB3  PRO   6           HB1      PRO   6  -2.802  -4.430   3.211
   27    HG2  PRO   6           HG2      PRO   6  -1.630  -6.976   2.226
   28    HG3  PRO   6           HG1      PRO   6  -3.325  -6.523   2.456
   29    HD2  PRO   6           HD2      PRO   6  -2.068  -6.537   0.017
   30    HD3  PRO   6           HD1      PRO   6  -3.468  -5.505   0.394
   31    H    ARG   7           H        ARG   7   0.370  -5.687   0.528
   32    HA   ARG   7           HA       ARG   7   2.649  -5.699   2.320
   33    HB2  ARG   7           HB2      ARG   7   2.215  -7.000  -0.377
   34    HB3  ARG   7           HB1      ARG   7   3.622  -7.258   0.656
   35    HG2  ARG   7           HG2      ARG   7   2.249  -8.201   2.407
   36    HG3  ARG   7           HG1      ARG   7   0.772  -7.768   1.545
   37    HD2  ARG   7           HD2      ARG   7   2.873  -9.676   0.486
   38    HD3  ARG   7           HD1      ARG   7   1.385 -10.179   1.284
   39    HE   ARG   7           HE       ARG   7   0.668  -8.465  -0.808
   40   HH11  ARG   7          1HH2      ARG   7   2.212 -11.520  -0.305
   41   HH12  ARG   7          2HH2      ARG   7   1.696 -12.187  -1.817
   42   HH21  ARG   7          1HH1      ARG   7  -0.014  -9.333  -2.794
   43   HH22  ARG   7          2HH1      ARG   7   0.436 -10.948  -3.227
   44    H    CYS   8           H        CYS   8   1.592  -3.711  -0.203
   45    HA   CYS   8           HA       CYS   8   4.158  -3.092  -1.326
   46    HB2  CYS   8           HB2      CYS   8   1.368  -2.365  -1.744
   47    HB3  CYS   8           HB1      CYS   8   2.452  -0.990  -1.893
   48    H    ARG   9           H        ARG   9   5.216  -1.024  -1.146
   49    HA   ARG   9           HA       ARG   9   5.596  -0.151   1.505
   50    HB2  ARG   9           HB2      ARG   9   6.960   1.630   0.525
   51    HB3  ARG   9           HB1      ARG   9   7.297   0.092  -0.266
   52    HG2  ARG   9           HG2      ARG   9   5.741   0.716  -2.099
   53    HG3  ARG   9           HG1      ARG   9   5.472   2.277  -1.322
   54    HD2  ARG   9           HD2      ARG   9   7.154   2.550  -3.043
   55    HD3  ARG   9           HD1      ARG   9   7.922   2.727  -1.472
   56    HE   ARG   9           HE       ARG   9   8.175   0.414  -3.287
   57   HH11  ARG   9          1HH2      ARG   9   9.061   2.076  -0.378
   58   HH12  ARG   9          2HH2      ARG   9  10.462   1.104  -0.098
   59   HH21  ARG   9          1HH1      ARG   9  10.009  -0.856  -2.918
   60   HH22  ARG   9          2HH1      ARG   9  11.001  -0.555  -1.529
   61    H    TYR  10           H        TYR  10   3.336   0.807  -0.949
   62    HA   TYR  10           HA       TYR  10   2.541   3.173   0.622
   63    HB2  TYR  10           HB2      TYR  10   2.978   3.403  -1.851
   64    HB3  TYR  10           HB1      TYR  10   1.591   2.348  -2.127
   65    HD1  TYR  10           HD2      TYR  10   2.621   5.537  -0.487
   66    HD2  TYR  10           HD1      TYR  10  -0.613   3.207  -2.085
   67    HE1  TYR  10           HE2      TYR  10   1.099   7.479  -0.235
   68    HE2  TYR  10           HE1      TYR  10  -2.136   5.150  -1.834
   69    HH   TYR  10           HH       TYR  10  -1.739   7.796  -1.755
   70    H    ARG  11           H        ARG  11   1.023   2.799   2.090
   71    HA   ARG  11           HA       ARG  11  -1.060   0.779   1.521
   72    HB2  ARG  11           HB2      ARG  11   0.086   1.769   4.134
   73    HB3  ARG  11           HB1      ARG  11  -1.359   0.767   4.017
   74    HG2  ARG  11           HG2      ARG  11  -0.118  -1.015   2.951
   75    HG3  ARG  11           HG1      ARG  11   1.320   0.001   2.827
   76    HD2  ARG  11           HD2      ARG  11   1.542  -1.530   4.725
   77    HD3  ARG  11           HD1      ARG  11   1.424   0.130   5.301
   78    HE   ARG  11           HE       ARG  11  -1.148  -1.121   5.194
   79   HH11  ARG  11          1HH2      ARG  11   1.815  -0.919   6.970
   80   HH12  ARG  11          2HH2      ARG  11   1.094  -1.342   8.488
   81   HH21  ARG  11          1HH1      ARG  11  -2.100  -1.676   7.181
   82   HH22  ARG  11          2HH1      ARG  11  -1.122  -1.770   8.606
   83    H    ABA  12           H        ABA  12  -0.909   3.725   0.832
   84    HA   ABA  12           HA       ABA  12  -2.302   5.540   0.765
   85    HB3  ABA  12           HB1      ABA  12  -4.722   5.031   1.002
   86    HB2  ABA  12           HB2      ABA  12  -4.303   3.404   1.529
   87    HG1  ABA  12           HG       ABA  12  -4.128   4.508  -1.260
   88    H    ARG  13           H        ARG  13  -4.465   6.319   2.266
   89    HA   ARG  13           HA       ARG  13  -3.180   7.097   4.735
   90    HB2  ARG  13           HB2      ARG  13  -6.026   7.629   3.851
   91    HB3  ARG  13           HB1      ARG  13  -5.112   8.505   5.073
   92    HG2  ARG  13           HG2      ARG  13  -4.244   8.357   2.177
   93    HG3  ARG  13           HG1      ARG  13  -5.273   9.643   2.801
   94    HD2  ARG  13           HD2      ARG  13  -3.498  10.157   4.500
   95    HD3  ARG  13           HD1      ARG  13  -2.460   8.974   3.711
   96    HE   ARG  13           HE       ARG  13  -3.165  11.602   2.694
   97   HH11  ARG  13          1HH2      ARG  13  -1.921   8.433   2.071
   98   HH12  ARG  13          2HH2      ARG  13  -1.039   8.907   0.659
   99   HH21  ARG  13          1HH1      ARG  13  -2.008  12.231   0.844
  100   HH22  ARG  13          2HH1      ARG  13  -1.088  11.057  -0.036
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1  -0.150   4.344  -8.179
    2    H2   GLY   1           HT2      GLY   1   0.844   3.955  -6.856
    3    H3   GLY   1           HT3      GLY   1  -0.801   3.532  -6.839
    4    HA2  GLY   1           HA2      GLY   1   0.059   2.341  -9.104
    5    HA3  GLY   1           HA1      GLY   1   1.439   2.165  -8.020
    6    H    CYS   2           H        CYS   2   1.208   0.986  -6.086
    7    HA   CYS   2           HA       CYS   2  -1.172  -0.765  -6.015
    8    HB2  CYS   2           HB2      CYS   2   0.310  -2.332  -4.768
    9    HB3  CYS   2           HB1      CYS   2   0.835  -2.020  -6.417
   10    H    ABA   3           H        ABA   3  -2.118   1.122  -4.875
   11    HA   ABA   3           HA       ABA   3  -1.230   1.552  -2.138
   12    HB3  ABA   3           HB1      ABA   3  -3.810   2.625  -3.213
   13    HB2  ABA   3           HB2      ABA   3  -2.290   3.286  -3.813
   14    HG1  ABA   3           HG       ABA   3  -1.757   4.180  -1.632
   15    H    SER   4           H        SER   4  -3.768  -0.118  -3.872
   16    HA   SER   4           HA       SER   4  -5.420  -0.671  -1.624
   17    HB2  SER   4           HB2      SER   4  -6.543  -2.257  -3.073
   18    HB3  SER   4           HB1      SER   4  -6.188  -0.796  -3.990
   19    HG   SER   4           HG       SER   4  -5.037  -3.346  -4.126
   20    H    ASP   5           H        ASP   5  -2.484  -2.036  -2.822
   21    HA   ASP   5           HA       ASP   5  -2.822  -4.515  -1.368
   22    HB2  ASP   5           HB2      ASP   5  -0.475  -3.504  -2.941
   23    HB3  ASP   5           HB1      ASP   5  -0.638  -5.124  -2.269
   24    HA   PRO   6           HA       PRO   6  -0.926  -2.538   2.242
   25    HB2  PRO   6           HB2      PRO   6  -1.183  -4.648   3.961
   26    HB3  PRO   6           HB1      PRO   6  -2.534  -3.583   3.523
   27    HG2  PRO   6           HG2      PRO   6  -1.868  -6.306   2.535
   28    HG3  PRO   6           HG1      PRO   6  -3.447  -5.581   2.876
   29    HD2  PRO   6           HD2      PRO   6  -2.391  -5.845   0.353
   30    HD3  PRO   6           HD1      PRO   6  -3.606  -4.620   0.807
   31    H    ARG   7           H        ARG   7   0.132  -5.307   0.527
   32    HA   ARG   7           HA       ARG   7   2.489  -5.804   2.110
   33    HB2  ARG   7           HB2      ARG   7   1.693  -6.755  -0.652
   34    HB3  ARG   7           HB1      ARG   7   3.099  -7.328   0.248
   35    HG2  ARG   7           HG2      ARG   7   1.699  -8.215   2.006
   36    HG3  ARG   7           HG1      ARG   7   0.262  -7.475   1.299
   37    HD2  ARG   7           HD2      ARG   7   1.961  -9.586  -0.060
   38    HD3  ARG   7           HD1      ARG   7   0.442  -9.905   0.772
   39    HE   ARG   7           HE       ARG   7  -0.074  -7.906  -1.105
   40   HH11  ARG   7          1HH2      ARG   7   1.022 -11.188  -1.007
   41   HH12  ARG   7          2HH2      ARG   7   0.362 -11.599  -2.553
   42   HH21  ARG   7          1HH1      ARG   7  -0.943  -8.440  -3.135
   43   HH22  ARG   7          2HH1      ARG   7  -0.750 -10.044  -3.758
   44    H    CYS   8           H        CYS   8   1.594  -3.487  -0.228
   45    HA   CYS   8           HA       CYS   8   4.191  -3.142  -1.415
   46    HB2  CYS   8           HB2      CYS   8   1.503  -2.026  -1.718
   47    HB3  CYS   8           HB1      CYS   8   2.775  -0.828  -1.857
   48    H    ARG   9           H        ARG   9   5.374  -1.055  -1.247
   49    HA   ARG   9           HA       ARG   9   6.106  -0.514   1.397
   50    HB2  ARG   9           HB2      ARG   9   7.558  -0.069  -0.551
   51    HB3  ARG   9           HB1      ARG   9   6.478   1.235  -1.048
   52    HG2  ARG   9           HG2      ARG   9   6.917   2.446   1.015
   53    HG3  ARG   9           HG1      ARG   9   7.897   1.113   1.623
   54    HD2  ARG   9           HD2      ARG   9   9.342   2.875   0.718
   55    HD3  ARG   9           HD1      ARG   9   9.466   1.420  -0.267
   56    HE   ARG   9           HE       ARG   9   8.435   2.569  -2.021
   57   HH11  ARG   9          1HH2      ARG   9   8.241   4.320   0.957
   58   HH12  ARG   9          2HH2      ARG   9   7.664   5.779   0.222
   59   HH21  ARG   9          1HH1      ARG   9   7.679   4.478  -2.993
   60   HH22  ARG   9          2HH1      ARG   9   7.346   5.868  -2.013
   61    H    TYR  10           H        TYR  10   3.967   1.252  -0.826
   62    HA   TYR  10           HA       TYR  10   3.210   3.054   1.375
   63    HB2  TYR  10           HB2      TYR  10   3.869   4.065  -0.800
   64    HB3  TYR  10           HB1      TYR  10   2.522   3.224  -1.567
   65    HD1  TYR  10           HD2      TYR  10   3.224   5.466   1.359
   66    HD2  TYR  10           HD1      TYR  10   0.461   4.315  -1.722
   67    HE1  TYR  10           HE2      TYR  10   1.691   7.287   2.054
   68    HE2  TYR  10           HE1      TYR  10  -1.071   6.137  -1.027
   69    HH   TYR  10           HH       TYR  10  -0.687   7.843   1.903
   70    H    ARG  11           H        ARG  11   1.493   2.481   2.531
   71    HA   ARG  11           HA       ARG  11  -0.600   0.825   1.269
   72    HB2  ARG  11           HB2      ARG  11   0.452  -0.157   3.262
   73    HB3  ARG  11           HB1      ARG  11   0.019   1.272   4.200
   74    HG2  ARG  11           HG2      ARG  11  -2.348   0.836   3.877
   75    HG3  ARG  11           HG1      ARG  11  -1.991  -0.499   2.780
   76    HD2  ARG  11           HD2      ARG  11  -0.915  -1.739   4.590
   77    HD3  ARG  11           HD1      ARG  11  -1.165  -0.389   5.694
   78    HE   ARG  11           HE       ARG  11  -3.675  -1.078   4.700
   79   HH11  ARG  11          1HH2      ARG  11  -1.098  -2.519   6.504
   80   HH12  ARG  11          2HH2      ARG  11  -2.134  -3.572   7.407
   81   HH21  ARG  11          1HH1      ARG  11  -5.041  -2.456   5.881
   82   HH22  ARG  11          2HH1      ARG  11  -4.366  -3.537   7.054
   83    H    ABA  12           H        ABA  12  -2.582   1.626   0.954
   84    HA   ABA  12           HA       ABA  12  -3.423   3.984   2.446
   85    HB3  ABA  12           HB1      ABA  12  -2.501   4.832   0.360
   86    HB2  ABA  12           HB2      ABA  12  -4.248   5.060   0.407
   87    HG1  ABA  12           HG       ABA  12  -4.452   2.909  -0.972
   88    H    ARG  13           H        ARG  13  -4.057   1.049   1.126
   89    HA   ARG  13           HA       ARG  13  -6.633   0.853   2.301
   90    HB2  ARG  13           HB2      ARG  13  -7.312   2.280   0.423
   91    HB3  ARG  13           HB1      ARG  13  -6.608   1.134  -0.715
   92    HG2  ARG  13           HG2      ARG  13  -8.185  -0.580  -0.072
   93    HG3  ARG  13           HG1      ARG  13  -8.792   0.411   1.255
   94    HD2  ARG  13           HD2      ARG  13  -8.941   1.229  -1.656
   95    HD3  ARG  13           HD1      ARG  13 -10.253   0.424  -0.801
   96    HE   ARG  13           HE       ARG  13  -9.518   2.652   0.722
   97   HH11  ARG  13          1HH2      ARG  13 -10.797   1.897  -2.403
   98   HH12  ARG  13          2HH2      ARG  13 -11.704   3.366  -2.540
   99   HH21  ARG  13          1HH1      ARG  13 -10.705   4.581   0.550
  100   HH22  ARG  13          2HH1      ARG  13 -11.652   4.886  -0.868
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1  -2.246   2.602  -7.047
    2    H2   GLY   1           HT2      GLY   1  -2.378   3.040  -8.683
    3    H3   GLY   1           HT3      GLY   1  -1.113   3.660  -7.735
    4    HA2  GLY   1           HA2      GLY   1  -1.160   1.305  -9.262
    5    HA3  GLY   1           HA1      GLY   1   0.174   1.979  -8.325
    6    H    CYS   2           H        CYS   2   0.633   1.162  -6.302
    7    HA   CYS   2           HA       CYS   2  -0.844  -1.282  -5.549
    8    HB2  CYS   2           HB2      CYS   2   1.124  -2.022  -4.484
    9    HB3  CYS   2           HB1      CYS   2   1.619  -1.393  -6.048
   10    H    ABA   3           H        ABA   3  -2.110   0.925  -4.880
   11    HA   ABA   3           HA       ABA   3  -1.419   1.795  -2.198
   12    HB3  ABA   3           HB1      ABA   3  -4.054   2.434  -3.458
   13    HB2  ABA   3           HB2      ABA   3  -2.595   3.149  -4.143
   14    HG1  ABA   3           HG       ABA   3  -2.480   4.639  -2.312
   15    H    SER   4           H        SER   4  -3.933  -0.144  -3.768
   16    HA   SER   4           HA       SER   4  -5.334  -0.697  -1.326
   17    HB2  SER   4           HB2      SER   4  -6.658  -2.220  -2.661
   18    HB3  SER   4           HB1      SER   4  -6.397  -0.746  -3.588
   19    HG   SER   4           HG       SER   4  -5.963  -3.013  -4.521
   20    H    ASP   5           H        ASP   5  -2.487  -1.892  -2.762
   21    HA   ASP   5           HA       ASP   5  -2.673  -4.525  -1.609
   22    HB2  ASP   5           HB2      ASP   5  -0.382  -3.157  -2.986
   23    HB3  ASP   5           HB1      ASP   5  -0.420  -4.855  -2.501
   24    HA   PRO   6           HA       PRO   6  -0.961  -2.916   2.274
   25    HB2  PRO   6           HB2      PRO   6  -1.159  -5.216   3.703
   26    HB3  PRO   6           HB1      PRO   6  -2.555  -4.179   3.351
   27    HG2  PRO   6           HG2      PRO   6  -1.712  -6.725   2.072
   28    HG3  PRO   6           HG1      PRO   6  -3.338  -6.131   2.446
   29    HD2  PRO   6           HD2      PRO   6  -2.202  -6.032  -0.054
   30    HD3  PRO   6           HD1      PRO   6  -3.497  -4.942   0.503
   31    H    ARG   7           H        ARG   7   0.231  -5.508   0.344
   32    HA   ARG   7           HA       ARG   7   2.599  -5.995   1.918
   33    HB2  ARG   7           HB2      ARG   7   1.788  -6.856  -0.867
   34    HB3  ARG   7           HB1      ARG   7   3.280  -7.362  -0.071
   35    HG2  ARG   7           HG2      ARG   7   2.040  -8.424   1.716
   36    HG3  ARG   7           HG1      ARG   7   0.516  -7.782   1.100
   37    HD2  ARG   7           HD2      ARG   7   0.729 -10.102   0.402
   38    HD3  ARG   7           HD1      ARG   7   0.881  -9.064  -1.011
   39    HE   ARG   7           HE       ARG   7   3.449  -9.588   0.083
   40   HH11  ARG   7          1HH2      ARG   7   0.835 -11.051  -1.651
   41   HH12  ARG   7          2HH2      ARG   7   1.841 -12.195  -2.477
   42   HH21  ARG   7          1HH1      ARG   7   4.774 -11.085  -0.997
   43   HH22  ARG   7          2HH1      ARG   7   4.071 -12.213  -2.107
   44    H    CYS   8           H        CYS   8   1.619  -3.572  -0.229
   45    HA   CYS   8           HA       CYS   8   4.209  -3.068  -1.427
   46    HB2  CYS   8           HB2      CYS   8   1.793  -2.472  -2.301
   47    HB3  CYS   8           HB1      CYS   8   2.037  -1.012  -1.344
   48    H    ARG   9           H        ARG   9   5.439  -1.129  -1.066
   49    HA   ARG   9           HA       ARG   9   6.016  -0.643   1.628
   50    HB2  ARG   9           HB2      ARG   9   7.624  -0.252  -0.193
   51    HB3  ARG   9           HB1      ARG   9   6.635   1.086  -0.778
   52    HG2  ARG   9           HG2      ARG   9   6.979   2.322   1.265
   53    HG3  ARG   9           HG1      ARG   9   7.792   0.948   2.012
   54    HD2  ARG   9           HD2      ARG   9   9.453   2.567   1.229
   55    HD3  ARG   9           HD1      ARG   9   9.568   1.085   0.286
   56    HE   ARG   9           HE       ARG   9   7.816   2.965  -0.963
   57   HH11  ARG   9          1HH2      ARG   9  11.134   2.201  -0.345
   58   HH12  ARG   9          2HH2      ARG   9  11.724   2.992  -1.767
   59   HH21  ARG   9          1HH1      ARG   9   8.583   4.005  -2.832
   60   HH22  ARG   9          2HH1      ARG   9  10.281   4.013  -3.175
   61    H    TYR  10           H        TYR  10   4.089   1.216  -0.706
   62    HA   TYR  10           HA       TYR  10   3.291   3.057   1.447
   63    HB2  TYR  10           HB2      TYR  10   4.078   4.099  -0.626
   64    HB3  TYR  10           HB1      TYR  10   2.861   3.214  -1.547
   65    HD1  TYR  10           HD2      TYR  10   3.216   5.594   1.322
   66    HD2  TYR  10           HD1      TYR  10   0.721   4.129  -1.853
   67    HE1  TYR  10           HE2      TYR  10   1.554   7.367   1.810
   68    HE2  TYR  10           HE1      TYR  10  -0.942   5.902  -1.365
   69    HH   TYR  10           HH       TYR  10  -1.161   7.971  -0.298
   70    H    ARG  11           H        ARG  11   1.419   2.744   2.454
   71    HA   ARG  11           HA       ARG  11  -0.642   1.089   1.128
   72    HB2  ARG  11           HB2      ARG  11  -0.068   1.562   4.061
   73    HB3  ARG  11           HB1      ARG  11  -1.474   0.684   3.456
   74    HG2  ARG  11           HG2      ARG  11   0.128  -0.838   2.219
   75    HG3  ARG  11           HG1      ARG  11   1.441  -0.052   3.097
   76    HD2  ARG  11           HD2      ARG  11  -0.919  -1.440   4.396
   77    HD3  ARG  11           HD1      ARG  11   0.683  -2.148   4.206
   78    HE   ARG  11           HE       ARG  11  -0.079  -0.046   6.081
   79   HH11  ARG  11          1HH2      ARG  11   2.421  -1.804   4.455
   80   HH12  ARG  11          2HH2      ARG  11   3.641  -1.418   5.620
   81   HH21  ARG  11          1HH1      ARG  11   1.518   0.467   7.612
   82   HH22  ARG  11          2HH1      ARG  11   3.131  -0.132   7.407
   83    H    ABA  12           H        ABA  12  -2.735   1.804   1.007
   84    HA   ABA  12           HA       ABA  12  -3.385   4.417   2.186
   85    HB3  ABA  12           HB1      ABA  12  -2.702   5.030  -0.023
   86    HB2  ABA  12           HB2      ABA  12  -4.464   5.056  -0.007
   87    HG1  ABA  12           HG       ABA  12  -4.118   2.496  -0.867
   88    H    ARG  13           H        ARG  13  -5.855   4.845   1.340
   89    HA   ARG  13           HA       ARG  13  -7.390   2.835   2.682
   90    HB2  ARG  13           HB2      ARG  13  -8.142   5.320   1.138
   91    HB3  ARG  13           HB1      ARG  13  -9.338   4.262   1.888
   92    HG2  ARG  13           HG2      ARG  13  -8.166   4.557   4.075
   93    HG3  ARG  13           HG1      ARG  13  -7.081   5.712   3.301
   94    HD2  ARG  13           HD2      ARG  13 -10.093   5.997   3.344
   95    HD3  ARG  13           HD1      ARG  13  -9.028   6.771   4.499
   96    HE   ARG  13           HE       ARG  13  -8.164   8.144   2.730
   97   HH11  ARG  13          1HH2      ARG  13 -10.711   5.994   1.785
   98   HH12  ARG  13          2HH2      ARG  13 -11.071   6.845   0.325
   99   HH21  ARG  13          1HH1      ARG  13  -8.634   9.262   0.811
  100   HH22  ARG  13          2HH1      ARG  13  -9.897   8.693  -0.228
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  -1.397   3.701  -6.587
    2    H2   GLY   1           HT2      GLY   1  -1.945   3.466  -8.178
    3    H3   GLY   1           HT3      GLY   1  -0.734   4.614  -7.854
    4    HA2  GLY   1           HA2      GLY   1  -0.027   2.379  -8.841
    5    HA3  GLY   1           HA1      GLY   1   0.887   3.021  -7.476
    6    H    CYS   2           H        CYS   2   1.012   1.840  -5.644
    7    HA   CYS   2           HA       CYS   2  -0.611  -0.625  -5.503
    8    HB2  CYS   2           HB2      CYS   2   1.153  -1.595  -4.235
    9    HB3  CYS   2           HB1      CYS   2   1.860  -0.875  -5.671
   10    H    ABA   3           H        ABA   3  -2.110   1.188  -4.710
   11    HA   ABA   3           HA       ABA   3  -1.760   1.920  -1.918
   12    HB3  ABA   3           HB1      ABA   3  -4.350   2.380  -3.306
   13    HB2  ABA   3           HB2      ABA   3  -2.943   3.250  -3.916
   14    HG1  ABA   3           HG       ABA   3  -3.083   4.696  -2.056
   15    H    SER   4           H        SER   4  -3.908  -0.130  -3.859
   16    HA   SER   4           HA       SER   4  -5.499  -1.007  -1.657
   17    HB2  SER   4           HB2      SER   4  -6.434  -2.601  -3.202
   18    HB3  SER   4           HB1      SER   4  -6.202  -1.082  -4.063
   19    HG   SER   4           HG       SER   4  -5.218  -3.463  -4.649
   20    H    ASP   5           H        ASP   5  -2.399  -1.905  -2.870
   21    HA   ASP   5           HA       ASP   5  -2.432  -4.539  -1.715
   22    HB2  ASP   5           HB2      ASP   5  -0.162  -2.945  -2.854
   23    HB3  ASP   5           HB1      ASP   5  -0.091  -4.646  -2.388
   24    HA   PRO   6           HA       PRO   6  -1.121  -2.807   2.287
   25    HB2  PRO   6           HB2      PRO   6  -1.378  -5.074   3.758
   26    HB3  PRO   6           HB1      PRO   6  -2.785  -4.145   3.203
   27    HG2  PRO   6           HG2      PRO   6  -1.627  -6.660   2.118
   28    HG3  PRO   6           HG1      PRO   6  -3.323  -6.175   2.289
   29    HD2  PRO   6           HD2      PRO   6  -1.890  -6.042  -0.079
   30    HD3  PRO   6           HD1      PRO   6  -3.348  -5.087   0.287
   31    H    ARG   7           H        ARG   7   0.279  -5.541   0.635
   32    HA   ARG   7           HA       ARG   7   2.556  -5.802   2.379
   33    HB2  ARG   7           HB2      ARG   7   2.075  -6.870  -0.417
   34    HB3  ARG   7           HB1      ARG   7   3.391  -7.354   0.650
   35    HG2  ARG   7           HG2      ARG   7   0.551  -7.551   1.618
   36    HG3  ARG   7           HG1      ARG   7   1.201  -8.811   0.571
   37    HD2  ARG   7           HD2      ARG   7   3.096  -9.109   2.167
   38    HD3  ARG   7           HD1      ARG   7   2.365  -7.916   3.230
   39    HE   ARG   7           HE       ARG   7   0.446  -9.898   2.700
   40   HH11  ARG   7          1HH2      ARG   7   3.510  -9.466   4.248
   41   HH12  ARG   7          2HH2      ARG   7   3.242 -10.705   5.430
   42   HH21  ARG   7          1HH1      ARG   7   0.088 -11.524   4.246
   43   HH22  ARG   7          2HH1      ARG   7   1.305 -11.869   5.428
   44    H    CYS   8           H        CYS   8   1.749  -3.917  -0.422
   45    HA   CYS   8           HA       CYS   8   4.357  -3.311  -1.330
   46    HB2  CYS   8           HB2      CYS   8   2.301  -2.873  -2.647
   47    HB3  CYS   8           HB1      CYS   8   1.863  -1.600  -1.510
   48    H    ARG   9           H        ARG   9   5.602  -1.401  -0.989
   49    HA   ARG   9           HA       ARG   9   5.975  -0.671   1.668
   50    HB2  ARG   9           HB2      ARG   9   7.677  -0.376  -0.101
   51    HB3  ARG   9           HB1      ARG   9   6.704   0.913  -0.809
   52    HG2  ARG   9           HG2      ARG   9   6.907   2.242   1.219
   53    HG3  ARG   9           HG1      ARG   9   7.769   0.930   2.023
   54    HD2  ARG   9           HD2      ARG   9   9.363   2.605   1.212
   55    HD3  ARG   9           HD1      ARG   9   9.571   1.094   0.332
   56    HE   ARG   9           HE       ARG   9   8.807   2.162  -1.599
   57   HH11  ARG   9          1HH2      ARG   9   8.259   4.077   1.230
   58   HH12  ARG   9          2HH2      ARG   9   7.810   5.499   0.349
   59   HH21  ARG   9          1HH1      ARG   9   8.219   4.022  -2.762
   60   HH22  ARG   9          2HH1      ARG   9   7.788   5.468  -1.911
   61    H    TYR  10           H        TYR  10   4.198   1.002  -0.924
   62    HA   TYR  10           HA       TYR  10   3.208   2.955   1.039
   63    HB2  TYR  10           HB2      TYR  10   4.103   3.865  -1.060
   64    HB3  TYR  10           HB1      TYR  10   2.954   2.894  -1.979
   65    HD1  TYR  10           HD2      TYR  10   3.230   5.613   0.550
   66    HD2  TYR  10           HD1      TYR  10   0.698   3.599  -2.276
   67    HE1  TYR  10           HE2      TYR  10   1.513   7.383   0.826
   68    HE2  TYR  10           HE1      TYR  10  -1.017   5.368  -2.000
   69    HH   TYR  10           HH       TYR  10  -0.547   8.038   0.313
   70    H    ARG  11           H        ARG  11   1.237   2.759   1.884
   71    HA   ARG  11           HA       ARG  11  -0.783   1.154   0.440
   72    HB2  ARG  11           HB2      ARG  11  -1.512   0.192   2.569
   73    HB3  ARG  11           HB1      ARG  11   0.186  -0.185   2.280
   74    HG2  ARG  11           HG2      ARG  11   0.817   1.770   3.706
   75    HG3  ARG  11           HG1      ARG  11  -0.891   2.014   4.072
   76    HD2  ARG  11           HD2      ARG  11  -1.012  -0.267   5.014
   77    HD3  ARG  11           HD1      ARG  11   0.700  -0.497   4.666
   78    HE   ARG  11           HE       ARG  11   0.377   1.837   6.233
   79   HH11  ARG  11          1HH2      ARG  11   0.105  -1.610   6.385
   80   HH12  ARG  11          2HH2      ARG  11   0.472  -1.702   8.075
   81   HH21  ARG  11          1HH1      ARG  11   0.860   1.723   8.450
   82   HH22  ARG  11          2HH1      ARG  11   0.900   0.184   9.244
   83    H    ABA  12           H        ABA  12  -2.992   1.663   0.994
   84    HA   ABA  12           HA       ABA  12  -3.383   4.255   2.321
   85    HB3  ABA  12           HB1      ABA  12  -3.425   5.069   0.162
   86    HB2  ABA  12           HB2      ABA  12  -5.121   4.633   0.377
   87    HG1  ABA  12           HG       ABA  12  -4.368   2.299  -0.663
   88    H    ARG  13           H        ARG  13  -5.971   4.651   2.186
   89    HA   ARG  13           HA       ARG  13  -7.921   4.032   3.256
   90    HB2  ARG  13           HB2      ARG  13  -7.647   1.373   1.877
   91    HB3  ARG  13           HB1      ARG  13  -9.100   2.330   2.161
   92    HG2  ARG  13           HG2      ARG  13  -6.851   3.050   0.252
   93    HG3  ARG  13           HG1      ARG  13  -8.442   2.453  -0.211
   94    HD2  ARG  13           HD2      ARG  13  -7.821   5.065   1.191
   95    HD3  ARG  13           HD1      ARG  13  -8.448   4.863  -0.439
   96    HE   ARG  13           HE       ARG  13  -9.961   4.667   2.029
   97   HH11  ARG  13          1HH2      ARG  13  -9.734   3.879  -1.333
   98   HH12  ARG  13          2HH2      ARG  13 -11.441   3.670  -1.540
   99   HH21  ARG  13          1HH1      ARG  13 -12.199   4.393   1.766
  100   HH22  ARG  13          2HH1      ARG  13 -12.836   3.960   0.214
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  -0.955   3.769  -1.650
    2    H2   GLY   1           HT2      GLY   1   0.106   5.096  -1.678
    3    H3   GLY   1           HT3      GLY   1   0.699   3.536  -1.360
    4    HA2  GLY   1           HA2      GLY   1  -0.134   4.731  -3.909
    5    HA3  GLY   1           HA1      GLY   1   1.283   3.744  -3.546
    6    H    CYS   2           H        CYS   2   1.101   1.503  -3.474
    7    HA   CYS   2           HA       CYS   2  -0.970   0.387  -5.115
    8    HB2  CYS   2           HB2      CYS   2   0.375  -1.746  -3.989
    9    HB3  CYS   2           HB1      CYS   2   0.775  -0.956  -5.500
   10    H    ABA   3           H        ABA   3  -2.252   1.528  -3.090
   11    HA   ABA   3           HA       ABA   3  -2.816   0.226  -0.741
   12    HB3  ABA   3           HB1      ABA   3  -4.925   1.298  -0.730
   13    HB2  ABA   3           HB2      ABA   3  -5.023   1.303  -2.489
   14    HG1  ABA   3           HG       ABA   3  -3.161   3.015  -2.554
   15    H    SER   4           H        SER   4  -3.577  -0.796  -3.974
   16    HA   SER   4           HA       SER   4  -5.633  -2.645  -3.410
   17    HB2  SER   4           HB2      SER   4  -5.074  -3.629  -5.575
   18    HB3  SER   4           HB1      SER   4  -5.063  -1.871  -5.684
   19    HG   SER   4           HG       SER   4  -3.193  -3.224  -6.544
   20    H    ASP   5           H        ASP   5  -2.155  -2.837  -3.069
   21    HA   ASP   5           HA       ASP   5  -2.401  -5.672  -2.315
   22    HB2  ASP   5           HB2      ASP   5   0.054  -4.165  -3.178
   23    HB3  ASP   5           HB1      ASP   5  -0.025  -5.874  -2.726
   24    HA   PRO   6           HA       PRO   6  -1.805  -4.151   1.937
   25    HB2  PRO   6           HB2      PRO   6  -1.041  -6.990   2.397
   26    HB3  PRO   6           HB1      PRO   6  -2.235  -5.989   3.244
   27    HG2  PRO   6           HG2      PRO   6  -2.949  -7.902   1.522
   28    HG3  PRO   6           HG1      PRO   6  -3.872  -6.402   1.710
   29    HD2  PRO   6           HD2      PRO   6  -2.074  -7.235  -0.529
   30    HD3  PRO   6           HD1      PRO   6  -3.506  -6.179  -0.526
   31    H    ARG   7           H        ARG   7   0.477  -6.061   0.080
   32    HA   ARG   7           HA       ARG   7   2.698  -5.633   1.881
   33    HB2  ARG   7           HB2      ARG   7   2.520  -6.768  -0.915
   34    HB3  ARG   7           HB1      ARG   7   4.021  -6.658   0.006
   35    HG2  ARG   7           HG2      ARG   7   3.023  -8.023   1.805
   36    HG3  ARG   7           HG1      ARG   7   1.522  -8.136   0.884
   37    HD2  ARG   7           HD2      ARG   7   2.727  -9.258  -0.950
   38    HD3  ARG   7           HD1      ARG   7   4.230  -9.138  -0.041
   39    HE   ARG   7           HE       ARG   7   2.318 -10.452   1.560
   40   HH11  ARG   7          1HH2      ARG   7   4.153 -10.867  -1.344
   41   HH12  ARG   7          2HH2      ARG   7   4.222 -12.593  -1.218
   42   HH21  ARG   7          1HH1      ARG   7   2.406 -12.715   1.733
   43   HH22  ARG   7          2HH1      ARG   7   3.233 -13.640   0.525
   44    H    CYS   8           H        CYS   8   1.111  -3.573  -0.108
   45    HA   CYS   8           HA       CYS   8   3.019  -2.304  -1.679
   46    HB2  CYS   8           HB2      CYS   8   0.604  -1.779  -1.680
   47    HB3  CYS   8           HB1      CYS   8   0.779  -1.006  -0.108
   48    H    ARG   9           H        ARG   9   4.766  -1.054  -1.253
   49    HA   ARG   9           HA       ARG   9   5.839  -0.892   1.313
   50    HB2  ARG   9           HB2      ARG   9   7.279  -0.766  -0.604
   51    HB3  ARG   9           HB1      ARG   9   6.439   0.658  -1.210
   52    HG2  ARG   9           HG2      ARG   9   8.588   1.241  -0.135
   53    HG3  ARG   9           HG1      ARG   9   7.225   1.963   0.703
   54    HD2  ARG   9           HD2      ARG   9   7.327   0.349   2.462
   55    HD3  ARG   9           HD1      ARG   9   8.432  -0.677   1.552
   56    HE   ARG   9           HE       ARG   9   9.681   1.805   1.909
   57   HH11  ARG   9          1HH2      ARG   9   8.443  -0.834   3.775
   58   HH12  ARG   9          2HH2      ARG   9   9.579  -0.637   5.066
   59   HH21  ARG   9          1HH1      ARG   9  11.178   2.068   3.601
   60   HH22  ARG   9          2HH1      ARG   9  11.129   1.006   4.968
   61    H    TYR  10           H        TYR  10   4.134   1.565  -0.623
   62    HA   TYR  10           HA       TYR  10   3.975   3.268   1.787
   63    HB2  TYR  10           HB2      TYR  10   5.031   4.322  -0.166
   64    HB3  TYR  10           HB1      TYR  10   3.591   3.987  -1.128
   65    HD1  TYR  10           HD2      TYR  10   4.715   5.708   1.997
   66    HD2  TYR  10           HD1      TYR  10   1.796   5.510  -1.148
   67    HE1  TYR  10           HE2      TYR  10   3.674   7.798   2.832
   68    HE2  TYR  10           HE1      TYR  10   0.754   7.600  -0.313
   69    HH   TYR  10           HH       TYR  10   0.702   8.778   2.129
   70    H    ARG  11           H        ARG  11   2.102   3.295   2.824
   71    HA   ARG  11           HA       ARG  11  -0.267   2.110   1.690
   72    HB2  ARG  11           HB2      ARG  11   0.177   3.576   4.302
   73    HB3  ARG  11           HB1      ARG  11  -1.296   2.709   3.865
   74    HG2  ARG  11           HG2      ARG  11  -0.108   0.610   3.737
   75    HG3  ARG  11           HG1      ARG  11   1.446   1.422   3.929
   76    HD2  ARG  11           HD2      ARG  11  -0.761   1.451   6.004
   77    HD3  ARG  11           HD1      ARG  11   0.624   0.364   6.042
   78    HE   ARG  11           HE       ARG  11   1.631   2.960   5.823
   79   HH11  ARG  11          1HH2      ARG  11  -0.265   1.051   8.000
   80   HH12  ARG  11          2HH2      ARG  11   0.264   1.893   9.418
   81   HH21  ARG  11          1HH1      ARG  11   2.329   4.069   7.678
   82   HH22  ARG  11          2HH1      ARG  11   1.733   3.602   9.236
   83    H    ABA  12           H        ABA  12  -2.219   3.142   1.209
   84    HA   ABA  12           HA       ABA  12  -1.967   6.029   0.640
   85    HB3  ABA  12           HB1      ABA  12  -2.368   4.832  -1.381
   86    HB2  ABA  12           HB2      ABA  12  -3.899   5.584  -0.938
   87    HG1  ABA  12           HG       ABA  12  -4.328   3.212   0.268
   88    H    ARG  13           H        ARG  13  -4.201   7.144   0.618
   89    HA   ARG  13           HA       ARG  13  -5.390   6.678   3.246
   90    HB2  ARG  13           HB2      ARG  13  -4.701   8.969   2.543
   91    HB3  ARG  13           HB1      ARG  13  -5.918   8.907   1.268
   92    HG2  ARG  13           HG2      ARG  13  -7.686   8.598   2.945
   93    HG3  ARG  13           HG1      ARG  13  -6.482   8.619   4.235
   94    HD2  ARG  13           HD2      ARG  13  -7.022  10.890   2.303
   95    HD3  ARG  13           HD1      ARG  13  -7.572  10.824   3.969
   96    HE   ARG  13           HE       ARG  13  -5.308  11.063   4.699
   97   HH11  ARG  13          1HH2      ARG  13  -5.725  11.212   1.264
   98   HH12  ARG  13          2HH2      ARG  13  -4.192  11.960   0.980
   99   HH21  ARG  13          1HH1      ARG  13  -3.300  12.041   4.326
  100   HH22  ARG  13          2HH1      ARG  13  -2.819  12.428   2.708
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1   0.047   3.255  -5.942
    2    H2   GLY   1           HT2      GLY   1  -1.014   4.217  -6.858
    3    H3   GLY   1           HT3      GLY   1   0.616   4.072  -7.316
    4    HA2  GLY   1           HA2      GLY   1  -1.444   2.600  -8.301
    5    HA3  GLY   1           HA1      GLY   1   0.268   2.194  -8.434
    6    H    CYS   2           H        CYS   2   0.704   1.773  -5.625
    7    HA   CYS   2           HA       CYS   2  -0.740  -0.786  -5.282
    8    HB2  CYS   2           HB2      CYS   2   1.143  -1.628  -4.171
    9    HB3  CYS   2           HB1      CYS   2   1.765  -0.796  -5.589
   10    H    ABA   3           H        ABA   3  -2.072   1.351  -4.528
   11    HA   ABA   3           HA       ABA   3  -1.673   1.962  -1.717
   12    HB3  ABA   3           HB1      ABA   3  -3.933   2.725  -3.578
   13    HB2  ABA   3           HB2      ABA   3  -2.474   3.678  -3.315
   14    HG1  ABA   3           HG       ABA   3  -4.767   3.305  -1.390
   15    H    SER   4           H        SER   4  -3.408  -0.316  -3.611
   16    HA   SER   4           HA       SER   4  -5.195  -0.977  -1.368
   17    HB2  SER   4           HB2      SER   4  -5.209  -1.897  -4.250
   18    HB3  SER   4           HB1      SER   4  -6.364  -2.407  -3.022
   19    HG   SER   4           HG       SER   4  -6.337  -0.173  -4.502
   20    H    ASP   5           H        ASP   5  -2.159  -1.751  -2.310
   21    HA   ASP   5           HA       ASP   5  -2.452  -4.616  -1.784
   22    HB2  ASP   5           HB2      ASP   5  -0.063  -3.077  -2.782
   23    HB3  ASP   5           HB1      ASP   5  -0.150  -4.829  -2.563
   24    HA   PRO   6           HA       PRO   6  -0.984  -3.525   2.372
   25    HB2  PRO   6           HB2      PRO   6  -1.149  -6.005   3.485
   26    HB3  PRO   6           HB1      PRO   6  -2.563  -4.967   3.214
   27    HG2  PRO   6           HG2      PRO   6  -1.593  -7.294   1.638
   28    HG3  PRO   6           HG1      PRO   6  -3.248  -6.801   2.032
   29    HD2  PRO   6           HD2      PRO   6  -2.038  -6.333  -0.399
   30    HD3  PRO   6           HD1      PRO   6  -3.377  -5.354   0.248
   31    H    ARG   7           H        ARG   7   0.411  -5.817   0.206
   32    HA   ARG   7           HA       ARG   7   2.769  -6.287   1.844
   33    HB2  ARG   7           HB2      ARG   7   2.164  -7.084  -1.019
   34    HB3  ARG   7           HB1      ARG   7   3.512  -7.667  -0.048
   35    HG2  ARG   7           HG2      ARG   7   0.636  -8.016   0.817
   36    HG3  ARG   7           HG1      ARG   7   1.464  -9.205  -0.184
   37    HD2  ARG   7           HD2      ARG   7   3.231  -9.378   1.593
   38    HD3  ARG   7           HD1      ARG   7   2.266  -8.312   2.605
   39    HE   ARG   7           HE       ARG   7   1.689 -11.089   1.984
   40   HH11  ARG   7          1HH2      ARG   7   0.566  -8.029   3.146
   41   HH12  ARG   7          2HH2      ARG   7  -0.742  -8.702   4.063
   42   HH21  ARG   7          1HH1      ARG   7  -0.021 -11.978   3.185
   43   HH22  ARG   7          2HH1      ARG   7  -1.075 -10.937   4.084
   44    H    CYS   8           H        CYS   8   1.695  -3.840  -0.185
   45    HA   CYS   8           HA       CYS   8   4.347  -3.172  -1.221
   46    HB2  CYS   8           HB2      CYS   8   2.335  -2.882  -2.639
   47    HB3  CYS   8           HB1      CYS   8   1.732  -1.676  -1.502
   48    H    ARG   9           H        ARG   9   5.520  -1.350  -0.619
   49    HA   ARG   9           HA       ARG   9   5.449  -0.593   2.075
   50    HB2  ARG   9           HB2      ARG   9   7.456  -0.406   0.665
   51    HB3  ARG   9           HB1      ARG   9   6.678   0.870  -0.273
   52    HG2  ARG   9           HG2      ARG   9   6.568   2.314   1.657
   53    HG3  ARG   9           HG1      ARG   9   7.134   1.021   2.714
   54    HD2  ARG   9           HD2      ARG   9   8.987   2.534   2.197
   55    HD3  ARG   9           HD1      ARG   9   9.275   0.961   1.459
   56    HE   ARG   9           HE       ARG   9   7.934   2.715  -0.355
   57   HH11  ARG   9          1HH2      ARG   9  10.980   1.999   1.122
   58   HH12  ARG   9          2HH2      ARG   9  11.921   2.638  -0.185
   59   HH21  ARG   9          1HH1      ARG   9   9.160   3.556  -2.072
   60   HH22  ARG   9          2HH1      ARG   9  10.890   3.520  -1.993
   61    H    TYR  10           H        TYR  10   4.234   1.082  -0.824
   62    HA   TYR  10           HA       TYR  10   3.144   3.246   0.797
   63    HB2  TYR  10           HB2      TYR  10   4.150   3.544  -1.530
   64    HB3  TYR  10           HB1      TYR  10   2.695   2.762  -2.150
   65    HD1  TYR  10           HD1      TYR  10   3.964   5.672  -0.233
   66    HD2  TYR  10           HD2      TYR  10   0.590   3.924  -2.235
   67    HE1  TYR  10           HE1      TYR  10   2.750   7.828  -0.070
   68    HE2  TYR  10           HE2      TYR  10  -0.623   6.081  -2.074
   69    HH   TYR  10           HH       TYR  10   0.760   8.839  -0.322
   70    H    ARG  11           H        ARG  11   1.289   2.939   1.849
   71    HA   ARG  11           HA       ARG  11  -0.871   1.433   0.504
   72    HB2  ARG  11           HB2      ARG  11   0.138   0.046   2.283
   73    HB3  ARG  11           HB1      ARG  11  -0.178   1.326   3.452
   74    HG2  ARG  11           HG2      ARG  11  -2.599   1.142   3.014
   75    HG3  ARG  11           HG1      ARG  11  -2.290  -0.117   1.818
   76    HD2  ARG  11           HD2      ARG  11  -1.275  -1.527   3.578
   77    HD3  ARG  11           HD1      ARG  11  -1.605  -0.269   4.766
   78    HE   ARG  11           HE       ARG  11  -3.543  -2.087   3.584
   79   HH11  ARG  11          1HH2      ARG  11  -2.929   0.862   5.285
   80   HH12  ARG  11          2HH2      ARG  11  -4.514   0.956   5.974
   81   HH21  ARG  11          1HH1      ARG  11  -5.624  -1.971   4.483
   82   HH22  ARG  11          2HH1      ARG  11  -6.041  -0.648   5.520
   83    H    ABA  12           H        ABA  12  -2.824   2.383   0.517
   84    HA   ABA  12           HA       ABA  12  -3.231   4.725   2.270
   85    HB3  ABA  12           HB1      ABA  12  -3.183   6.015   0.439
   86    HB2  ABA  12           HB2      ABA  12  -4.728   5.280   0.019
   87    HG1  ABA  12           HG       ABA  12  -2.062   4.717  -1.225
   88    H    ARG  13           H        ARG  13  -5.731   5.385   1.895
   89    HA   ARG  13           HA       ARG  13  -7.281   3.572   3.262
   90    HB2  ARG  13           HB2      ARG  13  -8.108   5.669   1.248
   91    HB3  ARG  13           HB1      ARG  13  -9.256   4.783   2.252
   92    HG2  ARG  13           HG2      ARG  13  -8.124   5.593   4.283
   93    HG3  ARG  13           HG1      ARG  13  -6.956   6.466   3.289
   94    HD2  ARG  13           HD2      ARG  13  -8.780   7.812   2.320
   95    HD3  ARG  13           HD1      ARG  13  -9.949   6.941   3.307
   96    HE   ARG  13           HE       ARG  13  -7.990   8.022   5.014
   97   HH11  ARG  13          1HH2      ARG  13 -10.510   9.003   2.855
   98   HH12  ARG  13          2HH2      ARG  13 -10.861  10.467   3.710
   99   HH21  ARG  13          1HH1      ARG  13  -8.446   9.940   6.142
  100   HH22  ARG  13          2HH1      ARG  13  -9.693  10.998   5.571
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1   1.533   5.183  -3.748
    2    H2   GLY   1           HT2      GLY   1   0.041   4.427  -4.040
    3    H3   GLY   1           HT3      GLY   1   0.763   5.382  -5.246
    4    HA2  GLY   1           HA2      GLY   1   2.172   3.776  -5.904
    5    HA3  GLY   1           HA1      GLY   1   2.368   3.172  -4.259
    6    H    CYS   2           H        CYS   2   1.563   1.203  -3.964
    7    HA   CYS   2           HA       CYS   2  -0.734   0.342  -5.608
    8    HB2  CYS   2           HB2      CYS   2   0.287  -1.972  -4.604
    9    HB3  CYS   2           HB1      CYS   2   0.715  -1.286  -6.163
   10    H    ABA   3           H        ABA   3  -2.002   1.537  -3.950
   11    HA   ABA   3           HA       ABA   3  -2.188   0.640  -1.265
   12    HB3  ABA   3           HB1      ABA   3  -4.605   1.654  -1.569
   13    HB2  ABA   3           HB2      ABA   3  -3.934   2.251  -3.087
   14    HG1  ABA   3           HG       ABA   3  -1.973   3.193  -1.563
   15    H    SER   4           H        SER   4  -3.154  -0.765  -4.204
   16    HA   SER   4           HA       SER   4  -5.459  -2.190  -3.366
   17    HB2  SER   4           HB2      SER   4  -5.070  -3.576  -5.342
   18    HB3  SER   4           HB1      SER   4  -4.834  -1.876  -5.738
   19    HG   SER   4           HG       SER   4  -3.030  -2.741  -6.507
   20    H    ASP   5           H        ASP   5  -2.004  -2.825  -3.089
   21    HA   ASP   5           HA       ASP   5  -2.605  -5.430  -1.862
   22    HB2  ASP   5           HB2      ASP   5   0.020  -4.408  -2.913
   23    HB3  ASP   5           HB1      ASP   5  -0.299  -6.013  -2.241
   24    HA   PRO   6           HA       PRO   6  -1.763  -3.342   2.114
   25    HB2  PRO   6           HB2      PRO   6  -1.339  -6.156   3.004
   26    HB3  PRO   6           HB1      PRO   6  -2.378  -4.895   3.693
   27    HG2  PRO   6           HG2      PRO   6  -3.370  -6.941   2.299
   28    HG3  PRO   6           HG1      PRO   6  -4.093  -5.326   2.254
   29    HD2  PRO   6           HD2      PRO   6  -2.475  -6.714   0.163
   30    HD3  PRO   6           HD1      PRO   6  -3.757  -5.487   0.011
   31    H    ARG   7           H        ARG   7   0.225  -5.838   0.630
   32    HA   ARG   7           HA       ARG   7   2.511  -5.418   2.332
   33    HB2  ARG   7           HB2      ARG   7   2.174  -6.873  -0.300
   34    HB3  ARG   7           HB1      ARG   7   3.671  -6.852   0.632
   35    HG2  ARG   7           HG2      ARG   7   2.503  -7.843   2.560
   36    HG3  ARG   7           HG1      ARG   7   0.994  -7.850   1.646
   37    HD2  ARG   7           HD2      ARG   7   2.012  -9.341  -0.032
   38    HD3  ARG   7           HD1      ARG   7   3.521  -9.335   0.875
   39    HE   ARG   7           HE       ARG   7   1.456 -10.158   2.602
   40   HH11  ARG   7          1HH2      ARG   7   3.153 -11.175  -0.237
   41   HH12  ARG   7          2HH2      ARG   7   2.959 -12.865   0.085
   42   HH21  ARG   7          1HH1      ARG   7   1.198 -12.373   3.032
   43   HH22  ARG   7          2HH1      ARG   7   1.852 -13.544   1.936
   44    H    CYS   8           H        CYS   8   1.174  -3.703  -0.247
   45    HA   CYS   8           HA       CYS   8   3.423  -2.822  -1.671
   46    HB2  CYS   8           HB2      CYS   8   1.154  -2.397  -2.444
   47    HB3  CYS   8           HB1      CYS   8   0.842  -1.369  -1.046
   48    H    ARG   9           H        ARG   9   5.010  -1.400  -1.239
   49    HA   ARG   9           HA       ARG   9   5.604  -0.592   1.369
   50    HB2  ARG   9           HB2      ARG   9   7.377   0.730   0.400
   51    HB3  ARG   9           HB1      ARG   9   7.234  -0.764  -0.526
   52    HG2  ARG   9           HG2      ARG   9   5.749   0.491  -2.147
   53    HG3  ARG   9           HG1      ARG   9   6.179   1.972  -1.290
   54    HD2  ARG   9           HD2      ARG   9   8.156   0.074  -2.582
   55    HD3  ARG   9           HD1      ARG   9   7.622   1.605  -3.269
   56    HE   ARG   9           HE       ARG   9   9.454   1.250  -1.029
   57   HH11  ARG   9          1HH2      ARG   9   7.383   3.337  -2.856
   58   HH12  ARG   9          2HH2      ARG   9   8.160   4.792  -2.333
   59   HH21  ARG   9          1HH1      ARG   9  10.478   3.156  -0.341
   60   HH22  ARG   9          2HH1      ARG   9   9.912   4.691  -0.909
   61    H    TYR  10           H        TYR  10   3.580   0.892  -1.029
   62    HA   TYR  10           HA       TYR  10   3.549   3.461   0.364
   63    HB2  TYR  10           HB2      TYR  10   3.505   3.398  -2.110
   64    HB3  TYR  10           HB1      TYR  10   1.976   2.520  -2.040
   65    HD1  TYR  10           HD1      TYR  10   3.541   5.608  -0.588
   66    HD2  TYR  10           HD2      TYR  10   0.011   3.771  -2.205
   67    HE1  TYR  10           HE1      TYR  10   2.324   7.759  -0.377
   68    HE2  TYR  10           HE2      TYR  10  -1.204   5.922  -1.995
   69    HH   TYR  10           HH       TYR  10   0.449   8.886  -1.085
   70    H    ARG  11           H        ARG  11   2.257   3.773   2.048
   71    HA   ARG  11           HA       ARG  11  -0.036   2.003   2.473
   72    HB2  ARG  11           HB2      ARG  11   1.532   2.384   4.339
   73    HB3  ARG  11           HB1      ARG  11   1.170   4.110   4.281
   74    HG2  ARG  11           HG2      ARG  11  -1.150   3.707   4.843
   75    HG3  ARG  11           HG1      ARG  11  -0.923   1.962   4.717
   76    HD2  ARG  11           HD2      ARG  11   0.542   3.730   6.695
   77    HD3  ARG  11           HD1      ARG  11  -0.905   2.802   7.081
   78    HE   ARG  11           HE       ARG  11   0.982   1.044   5.960
   79   HH11  ARG  11          1HH2      ARG  11   0.510   3.048   8.742
   80   HH12  ARG  11          2HH2      ARG  11   1.459   2.050   9.792
   81   HH21  ARG  11          1HH1      ARG  11   2.229  -0.268   7.331
   82   HH22  ARG  11          2HH1      ARG  11   2.433   0.173   8.994
   83    H    ABA  12           H        ABA  12  -2.089   2.611   2.177
   84    HA   ABA  12           HA       ABA  12  -2.878   5.399   2.310
   85    HB3  ABA  12           HB1      ABA  12  -1.973   4.850  -0.074
   86    HB2  ABA  12           HB2      ABA  12  -3.501   5.716   0.085
   87    HG1  ABA  12           HG       ABA  12  -4.713   3.489  -0.237
   88    H    ARG  13           H        ARG  13  -5.330   5.359   1.257
   89    HA   ARG  13           HA       ARG  13  -6.824   2.985   1.829
   90    HB2  ARG  13           HB2      ARG  13  -8.016   3.773   3.801
   91    HB3  ARG  13           HB1      ARG  13  -6.287   3.722   4.139
   92    HG2  ARG  13           HG2      ARG  13  -6.174   6.170   3.553
   93    HG3  ARG  13           HG1      ARG  13  -7.935   6.170   3.449
   94    HD2  ARG  13           HD2      ARG  13  -8.087   5.419   5.786
   95    HD3  ARG  13           HD1      ARG  13  -6.329   5.388   5.896
   96    HE   ARG  13           HE       ARG  13  -6.336   7.721   6.044
   97   HH11  ARG  13          1HH2      ARG  13  -9.436   6.474   5.145
   98   HH12  ARG  13          2HH2      ARG  13 -10.259   7.983   5.358
   99   HH21  ARG  13          1HH1      ARG  13  -7.408   9.703   6.326
  100   HH22  ARG  13          2HH1      ARG  13  -9.111   9.811   6.027
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  -3.074   4.399  -5.708
    2    H2   GLY   1           HT2      GLY   1  -2.098   5.558  -6.477
    3    H3   GLY   1           HT3      GLY   1  -2.643   5.822  -4.891
    4    HA2  GLY   1           HA2      GLY   1  -0.241   4.744  -5.610
    5    HA3  GLY   1           HA1      GLY   1  -0.965   4.697  -4.002
    6    H    CYS   2           H        CYS   2  -0.041   2.635  -3.593
    7    HA   CYS   2           HA       CYS   2  -1.125   0.406  -5.196
    8    HB2  CYS   2           HB2      CYS   2   0.632  -0.902  -3.900
    9    HB3  CYS   2           HB1      CYS   2   1.211   0.225  -5.122
   10    H    ABA   3           H        ABA   3  -2.918   1.522  -3.601
   11    HA   ABA   3           HA       ABA   3  -3.061   0.435  -0.967
   12    HB3  ABA   3           HB1      ABA   3  -5.318   1.269  -0.920
   13    HB2  ABA   3           HB2      ABA   3  -5.367   1.385  -2.679
   14    HG1  ABA   3           HG       ABA   3  -3.801   3.289  -2.631
   15    H    SER   4           H        SER   4  -3.776  -0.772  -4.112
   16    HA   SER   4           HA       SER   4  -5.690  -2.742  -3.442
   17    HB2  SER   4           HB2      SER   4  -5.077  -3.777  -5.571
   18    HB3  SER   4           HB1      SER   4  -5.221  -2.031  -5.760
   19    HG   SER   4           HG       SER   4  -3.133  -1.898  -6.099
   20    H    ASP   5           H        ASP   5  -2.232  -2.579  -3.015
   21    HA   ASP   5           HA       ASP   5  -2.256  -5.396  -2.142
   22    HB2  ASP   5           HB2      ASP   5   0.066  -3.796  -3.198
   23    HB3  ASP   5           HB1      ASP   5   0.138  -5.464  -2.615
   24    HA   PRO   6           HA       PRO   6  -1.446  -3.362   1.827
   25    HB2  PRO   6           HB2      PRO   6  -1.467  -5.591   3.394
   26    HB3  PRO   6           HB1      PRO   6  -2.945  -4.824   2.782
   27    HG2  PRO   6           HG2      PRO   6  -1.529  -7.249   1.810
   28    HG3  PRO   6           HG1      PRO   6  -3.266  -6.921   1.928
   29    HD2  PRO   6           HD2      PRO   6  -1.829  -6.758  -0.415
   30    HD3  PRO   6           HD1      PRO   6  -3.338  -5.863  -0.114
   31    H    ARG   7           H        ARG   7   0.442  -5.785   0.280
   32    HA   ARG   7           HA       ARG   7   2.610  -5.756   2.195
   33    HB2  ARG   7           HB2      ARG   7   2.376  -6.904  -0.594
   34    HB3  ARG   7           HB1      ARG   7   3.790  -7.096   0.443
   35    HG2  ARG   7           HG2      ARG   7   2.471  -8.243   2.127
   36    HG3  ARG   7           HG1      ARG   7   0.986  -7.934   1.228
   37    HD2  ARG   7           HD2      ARG   7   1.717 -10.218   0.798
   38    HD3  ARG   7           HD1      ARG   7   1.900  -9.264  -0.670
   39    HE   ARG   7           HE       ARG   7   4.318  -9.207   0.811
   40   HH11  ARG   7          1HH2      ARG   7   2.307 -11.283  -1.092
   41   HH12  ARG   7          2HH2      ARG   7   3.617 -12.270  -1.649
   42   HH21  ARG   7          1HH1      ARG   7   6.041 -10.497   0.085
   43   HH22  ARG   7          2HH1      ARG   7   5.731 -11.825  -0.982
   44    H    CYS   8           H        CYS   8   1.565  -3.709  -0.294
   45    HA   CYS   8           HA       CYS   8   4.007  -2.845  -1.402
   46    HB2  CYS   8           HB2      CYS   8   1.815  -2.279  -2.368
   47    HB3  CYS   8           HB1      CYS   8   1.459  -1.267  -0.969
   48    H    ARG   9           H        ARG   9   5.561  -1.497  -0.702
   49    HA   ARG   9           HA       ARG   9   5.853  -0.885   2.017
   50    HB2  ARG   9           HB2      ARG   9   7.766   0.453   1.340
   51    HB3  ARG   9           HB1      ARG   9   7.722  -1.026   0.382
   52    HG2  ARG   9           HG2      ARG   9   6.519   0.264  -1.418
   53    HG3  ARG   9           HG1      ARG   9   6.801   1.730  -0.480
   54    HD2  ARG   9           HD2      ARG   9   9.234   1.321  -0.575
   55    HD3  ARG   9           HD1      ARG   9   8.950  -0.133  -1.530
   56    HE   ARG   9           HE       ARG   9   8.804   2.609  -2.466
   57   HH11  ARG   9          1HH2      ARG   9   7.855  -0.688  -2.918
   58   HH12  ARG   9          2HH2      ARG   9   7.564  -0.518  -4.617
   59   HH21  ARG   9          1HH1      ARG   9   8.425   2.840  -4.695
   60   HH22  ARG   9          2HH1      ARG   9   7.887   1.481  -5.623
   61    H    TYR  10           H        TYR  10   4.128   0.753  -0.474
   62    HA   TYR  10           HA       TYR  10   3.815   3.137   1.250
   63    HB2  TYR  10           HB2      TYR  10   4.714   3.708  -0.926
   64    HB3  TYR  10           HB1      TYR  10   3.431   2.806  -1.733
   65    HD1  TYR  10           HD1      TYR  10   4.029   5.668   0.597
   66    HD2  TYR  10           HD2      TYR  10   1.366   3.829  -2.229
   67    HE1  TYR  10           HE1      TYR  10   2.569   7.671   0.670
   68    HE2  TYR  10           HE2      TYR  10  -0.094   5.833  -2.155
   69    HH   TYR  10           HH       TYR  10   0.790   8.680  -0.206
   70    H    ARG  11           H        ARG  11   1.912   3.433   2.204
   71    HA   ARG  11           HA       ARG  11  -0.414   1.890   1.222
   72    HB2  ARG  11           HB2      ARG  11   0.196   2.907   4.008
   73    HB3  ARG  11           HB1      ARG  11  -1.272   2.050   3.535
   74    HG2  ARG  11           HG2      ARG  11   0.043   0.088   2.889
   75    HG3  ARG  11           HG1      ARG  11   1.539   0.943   3.268
   76    HD2  ARG  11           HD2      ARG  11   0.987  -0.477   5.150
   77    HD3  ARG  11           HD1      ARG  11   0.724   1.197   5.627
   78    HE   ARG  11           HE       ARG  11  -1.688   0.117   4.602
   79   HH11  ARG  11          1HH2      ARG  11   0.479  -0.079   7.293
   80   HH12  ARG  11          2HH2      ARG  11  -0.750  -0.538   8.426
   81   HH21  ARG  11          1HH1      ARG  11  -3.303  -0.485   6.081
   82   HH22  ARG  11          2HH1      ARG  11  -2.890  -0.767   7.739
   83    H    ABA  12           H        ABA  12  -2.323   2.922   0.847
   84    HA   ABA  12           HA       ABA  12  -2.214   5.851   0.782
   85    HB3  ABA  12           HB1      ABA  12  -2.869   4.949  -1.306
   86    HB2  ABA  12           HB2      ABA  12  -4.364   5.528  -0.569
   87    HG1  ABA  12           HG       ABA  12  -4.476   2.974   0.335
   88    H    ARG  13           H        ARG  13  -4.749   6.643   0.939
   89    HA   ARG  13           HA       ARG  13  -5.817   5.588   3.480
   90    HB2  ARG  13           HB2      ARG  13  -4.511   7.604   3.991
   91    HB3  ARG  13           HB1      ARG  13  -5.431   8.513   2.793
   92    HG2  ARG  13           HG2      ARG  13  -7.484   8.202   4.050
   93    HG3  ARG  13           HG1      ARG  13  -6.671   7.124   5.185
   94    HD2  ARG  13           HD2      ARG  13  -6.883   9.367   6.152
   95    HD3  ARG  13           HD1      ARG  13  -5.188   8.981   5.873
   96    HE   ARG  13           HE       ARG  13  -6.301  10.341   3.624
   97   HH11  ARG  13          1HH2      ARG  13  -5.186  10.761   6.873
   98   HH12  ARG  13          2HH2      ARG  13  -4.721  12.413   6.647
   99   HH21  ARG  13          1HH1      ARG  13  -5.692  12.508   3.320
  100   HH22  ARG  13          2HH1      ARG  13  -5.006  13.403   4.635
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1  -2.705   2.432  -8.467
    2    H2   GLY   1           HT2      GLY   1  -1.349   3.456  -8.501
    3    H3   GLY   1           HT3      GLY   1  -1.836   2.733  -7.042
    4    HA2  GLY   1           HA2      GLY   1  -1.136   1.021  -9.325
    5    HA3  GLY   1           HA1      GLY   1   0.150   1.746  -8.361
    6    H    CYS   2           H        CYS   2   0.640   0.885  -6.402
    7    HA   CYS   2           HA       CYS   2  -0.979  -1.423  -5.517
    8    HB2  CYS   2           HB2      CYS   2   0.984  -2.229  -4.440
    9    HB3  CYS   2           HB1      CYS   2   1.389  -1.823  -6.102
   10    H    ABA   3           H        ABA   3  -2.043   0.896  -4.860
   11    HA   ABA   3           HA       ABA   3  -1.182   1.738  -2.215
   12    HB3  ABA   3           HB1      ABA   3  -3.754   2.595  -3.507
   13    HB2  ABA   3           HB2      ABA   3  -2.212   3.242  -4.073
   14    HG1  ABA   3           HG       ABA   3  -2.007   4.554  -2.111
   15    H    SER   4           H        SER   4  -3.795  -0.103  -3.691
   16    HA   SER   4           HA       SER   4  -5.213  -0.467  -1.200
   17    HB2  SER   4           HB2      SER   4  -6.704  -1.878  -2.484
   18    HB3  SER   4           HB1      SER   4  -6.355  -0.428  -3.421
   19    HG   SER   4           HG       SER   4  -6.142  -2.319  -4.681
   20    H    ASP   5           H        ASP   5  -2.482  -1.848  -2.628
   21    HA   ASP   5           HA       ASP   5  -2.885  -4.462  -1.451
   22    HB2  ASP   5           HB2      ASP   5  -0.549  -3.360  -2.994
   23    HB3  ASP   5           HB1      ASP   5  -0.730  -5.035  -2.462
   24    HA   PRO   6           HA       PRO   6  -0.801  -2.940   2.288
   25    HB2  PRO   6           HB2      PRO   6  -0.985  -5.245   3.748
   26    HB3  PRO   6           HB1      PRO   6  -2.341  -4.121   3.528
   27    HG2  PRO   6           HG2      PRO   6  -1.787  -6.714   2.190
   28    HG3  PRO   6           HG1      PRO   6  -3.328  -6.002   2.694
   29    HD2  PRO   6           HD2      PRO   6  -2.407  -5.999   0.104
   30    HD3  PRO   6           HD1      PRO   6  -3.569  -4.816   0.752
   31    H    ARG   7           H        ARG   7   0.191  -5.456   0.209
   32    HA   ARG   7           HA       ARG   7   2.599  -6.161   1.628
   33    HB2  ARG   7           HB2      ARG   7   1.625  -6.737  -1.174
   34    HB3  ARG   7           HB1      ARG   7   3.154  -7.338  -0.531
   35    HG2  ARG   7           HG2      ARG   7   1.893  -8.402   1.347
   36    HG3  ARG   7           HG1      ARG   7   0.387  -7.897   0.578
   37    HD2  ARG   7           HD2      ARG   7   2.486  -9.643  -0.731
   38    HD3  ARG   7           HD1      ARG   7   1.025 -10.248   0.022
   39    HE   ARG   7           HE       ARG   7  -0.263  -9.230  -1.727
   40   HH11  ARG   7          1HH2      ARG   7   3.168  -8.897  -2.081
   41   HH12  ARG   7          2HH2      ARG   7   3.089  -8.499  -3.759
   42   HH21  ARG   7          1HH1      ARG   7  -0.365  -8.705  -3.931
   43   HH22  ARG   7          2HH1      ARG   7   1.094  -8.388  -4.809
   44    H    CYS   8           H        CYS   8   1.628  -3.557  -0.327
   45    HA   CYS   8           HA       CYS   8   4.254  -3.028  -1.459
   46    HB2  CYS   8           HB2      CYS   8   1.708  -2.337  -2.208
   47    HB3  CYS   8           HB1      CYS   8   2.283  -0.844  -1.468
   48    H    ARG   9           H        ARG   9   5.469  -1.063  -1.012
   49    HA   ARG   9           HA       ARG   9   5.916  -0.665   1.739
   50    HB2  ARG   9           HB2      ARG   9   6.726   0.974  -0.671
   51    HB3  ARG   9           HB1      ARG   9   7.298   1.297   0.966
   52    HG2  ARG   9           HG2      ARG   9   8.227  -0.983   1.101
   53    HG3  ARG   9           HG1      ARG   9   7.649  -1.316  -0.532
   54    HD2  ARG   9           HD2      ARG   9  10.011  -0.705  -0.618
   55    HD3  ARG   9           HD1      ARG   9   9.047   0.556  -1.381
   56    HE   ARG   9           HE       ARG   9   9.663   2.004   0.337
   57   HH11  ARG   9          1HH2      ARG   9  10.425  -1.281   1.109
   58   HH12  ARG   9          2HH2      ARG   9  11.346  -0.882   2.521
   59   HH21  ARG   9          1HH1      ARG   9  10.869   2.537   2.188
   60   HH22  ARG   9          2HH1      ARG   9  11.596   1.280   3.132
   61    H    TYR  10           H        TYR  10   4.088   1.217  -0.641
   62    HA   TYR  10           HA       TYR  10   3.287   3.115   1.451
   63    HB2  TYR  10           HB2      TYR  10   4.040   3.993  -0.753
   64    HB3  TYR  10           HB1      TYR  10   2.690   3.152  -1.516
   65    HD1  TYR  10           HD1      TYR  10   3.438   5.597   1.219
   66    HD2  TYR  10           HD2      TYR  10   0.604   4.214  -1.698
   67    HE1  TYR  10           HE1      TYR  10   1.942   7.496   1.772
   68    HE2  TYR  10           HE2      TYR  10  -0.890   6.115  -1.144
   69    HH   TYR  10           HH       TYR  10  -0.879   8.229  -0.140
   70    H    ARG  11           H        ARG  11   1.388   2.931   2.461
   71    HA   ARG  11           HA       ARG  11  -0.642   1.103   1.323
   72    HB2  ARG  11           HB2      ARG  11  -0.173   1.948   4.191
   73    HB3  ARG  11           HB1      ARG  11  -1.466   0.879   3.644
   74    HG2  ARG  11           HG2      ARG  11   0.137  -0.760   2.860
   75    HG3  ARG  11           HG1      ARG  11   1.480   0.334   3.188
   76    HD2  ARG  11           HD2      ARG  11  -0.419  -0.733   5.294
   77    HD3  ARG  11           HD1      ARG  11   1.185  -1.385   4.970
   78    HE   ARG  11           HE       ARG  11   1.509   1.346   5.429
   79   HH11  ARG  11          1HH2      ARG  11   0.356  -1.467   7.081
   80   HH12  ARG  11          2HH2      ARG  11   0.807  -0.899   8.653
   81   HH21  ARG  11          1HH1      ARG  11   2.103   2.099   7.488
   82   HH22  ARG  11          2HH1      ARG  11   1.797   1.120   8.884
   83    H    ABA  12           H        ABA  12  -2.779   1.739   1.196
   84    HA   ABA  12           HA       ABA  12  -3.599   4.321   2.175
   85    HB3  ABA  12           HB1      ABA  12  -2.515   4.963   0.083
   86    HB2  ABA  12           HB2      ABA  12  -4.260   5.191  -0.034
   87    HG1  ABA  12           HG       ABA  12  -4.202   2.708  -1.066
   88    H    ARG  13           H        ARG  13  -4.166   1.257   1.106
   89    HA   ARG  13           HA       ARG  13  -6.059  -0.074   0.929
   90    HB2  ARG  13           HB2      ARG  13  -7.450   1.924   2.698
   91    HB3  ARG  13           HB1      ARG  13  -7.603   0.168   2.676
   92    HG2  ARG  13           HG2      ARG  13  -5.197   1.752   3.626
   93    HG3  ARG  13           HG1      ARG  13  -6.301   0.818   4.635
   94    HD2  ARG  13           HD2      ARG  13  -4.389  -0.244   2.537
   95    HD3  ARG  13           HD1      ARG  13  -4.337  -0.533   4.271
   96    HE   ARG  13           HE       ARG  13  -6.807  -1.462   3.475
   97   HH11  ARG  13          1HH2      ARG  13  -3.497  -2.021   2.634
   98   HH12  ARG  13          2HH2      ARG  13  -3.745  -3.676   2.191
   99   HH21  ARG  13          1HH1      ARG  13  -7.140  -3.633   2.896
  100   HH22  ARG  13          2HH1      ARG  13  -5.808  -4.589   2.340
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1  -0.431   5.742  -6.781
    2    H2   GLY   1           HT2      GLY   1  -1.637   5.006  -5.837
    3    H3   GLY   1           HT3      GLY   1  -1.249   4.376  -7.366
    4    HA2  GLY   1           HA2      GLY   1   1.083   4.029  -6.444
    5    HA3  GLY   1           HA1      GLY   1   0.323   4.261  -4.869
    6    H    CYS   2           H        CYS   2   1.014   2.000  -4.517
    7    HA   CYS   2           HA       CYS   2  -0.716   0.022  -5.863
    8    HB2  CYS   2           HB2      CYS   2   0.882  -1.596  -4.705
    9    HB3  CYS   2           HB1      CYS   2   1.507  -0.664  -6.059
   10    H    ABA   3           H        ABA   3  -2.009   1.550  -4.121
   11    HA   ABA   3           HA       ABA   3  -2.060   0.601  -1.438
   12    HB3  ABA   3           HB1      ABA   3  -4.471   1.821  -2.738
   13    HB2  ABA   3           HB2      ABA   3  -3.037   2.810  -2.466
   14    HG1  ABA   3           HG       ABA   3  -4.107   1.208  -0.123
   15    H    SER   4           H        SER   4  -3.069  -0.770  -4.342
   16    HA   SER   4           HA       SER   4  -5.429  -2.124  -3.575
   17    HB2  SER   4           HB2      SER   4  -4.970  -3.597  -5.471
   18    HB3  SER   4           HB1      SER   4  -4.666  -1.920  -5.919
   19    HG   SER   4           HG       SER   4  -2.525  -3.272  -4.814
   20    H    ASP   5           H        ASP   5  -2.039  -2.747  -2.989
   21    HA   ASP   5           HA       ASP   5  -2.800  -5.209  -1.572
   22    HB2  ASP   5           HB2      ASP   5  -0.187  -4.599  -2.946
   23    HB3  ASP   5           HB1      ASP   5  -0.519  -6.047  -1.997
   24    HA   PRO   6           HA       PRO   6  -1.299  -2.915   2.019
   25    HB2  PRO   6           HB2      PRO   6  -1.426  -4.937   3.849
   26    HB3  PRO   6           HB1      PRO   6  -2.859  -4.067   3.269
   27    HG2  PRO   6           HG2      PRO   6  -1.817  -6.739   2.491
   28    HG3  PRO   6           HG1      PRO   6  -3.490  -6.196   2.713
   29    HD2  PRO   6           HD2      PRO   6  -2.314  -6.478   0.267
   30    HD3  PRO   6           HD1      PRO   6  -3.643  -5.344   0.595
   31    H    ARG   7           H        ARG   7   0.198  -5.684   0.642
   32    HA   ARG   7           HA       ARG   7   2.486  -5.721   2.406
   33    HB2  ARG   7           HB2      ARG   7   2.060  -7.054  -0.284
   34    HB3  ARG   7           HB1      ARG   7   3.369  -7.401   0.842
   35    HG2  ARG   7           HG2      ARG   7   0.499  -7.619   1.737
   36    HG3  ARG   7           HG1      ARG   7   1.262  -8.951   0.872
   37    HD2  ARG   7           HD2      ARG   7   3.101  -8.928   2.586
   38    HD3  ARG   7           HD1      ARG   7   2.200  -7.714   3.482
   39    HE   ARG   7           HE       ARG   7   0.488  -9.891   3.033
   40   HH11  ARG   7          1HH2      ARG   7   3.411  -9.076   4.696
   41   HH12  ARG   7          2HH2      ARG   7   3.172 -10.229   5.967
   42   HH21  ARG   7          1HH1      ARG   7   0.169 -11.405   4.696
   43   HH22  ARG   7          2HH1      ARG   7   1.337 -11.547   5.967
   44    H    CYS   8           H        CYS   8   1.502  -3.780  -0.166
   45    HA   CYS   8           HA       CYS   8   4.097  -3.271  -1.316
   46    HB2  CYS   8           HB2      CYS   8   1.730  -2.946  -2.382
   47    HB3  CYS   8           HB1      CYS   8   1.765  -1.390  -1.554
   48    H    ARG   9           H        ARG   9   5.380  -1.419  -1.031
   49    HA   ARG   9           HA       ARG   9   5.613  -0.450   1.596
   50    HB2  ARG   9           HB2      ARG   9   7.268   1.089   0.705
   51    HB3  ARG   9           HB1      ARG   9   7.456  -0.482  -0.077
   52    HG2  ARG   9           HG2      ARG   9   5.981   0.392  -1.948
   53    HG3  ARG   9           HG1      ARG   9   6.115   1.987  -1.207
   54    HD2  ARG   9           HD2      ARG   9   8.475   0.297  -2.069
   55    HD3  ARG   9           HD1      ARG   9   7.795   1.612  -3.020
   56    HE   ARG   9           HE       ARG   9   9.400   1.864  -0.601
   57   HH11  ARG   9          1HH2      ARG   9   7.220   3.314  -2.865
   58   HH12  ARG   9          2HH2      ARG   9   7.688   4.937  -2.487
   59   HH21  ARG   9          1HH1      ARG   9  10.019   3.992  -0.101
   60   HH22  ARG   9          2HH1      ARG   9   9.273   5.321  -0.922
   61    H    TYR  10           H        TYR  10   3.615   0.577  -1.023
   62    HA   TYR  10           HA       TYR  10   3.193   3.268  -0.062
   63    HB2  TYR  10           HB2      TYR  10   2.941   2.620  -2.458
   64    HB3  TYR  10           HB1      TYR  10   1.530   1.662  -2.009
   65    HD1  TYR  10           HD2      TYR  10   2.912   5.088  -2.205
   66    HD2  TYR  10           HD1      TYR  10  -0.573   2.699  -1.440
   67    HE1  TYR  10           HE2      TYR  10   1.497   7.121  -2.309
   68    HE2  TYR  10           HE1      TYR  10  -1.990   4.732  -1.543
   69    HH   TYR  10           HH       TYR  10  -0.829   7.720  -2.732
   70    H    ARG  11           H        ARG  11   1.718   3.957   1.373
   71    HA   ARG  11           HA       ARG  11  -0.247   1.993   2.388
   72    HB2  ARG  11           HB2      ARG  11   1.035   4.324   3.842
   73    HB3  ARG  11           HB1      ARG  11  -0.146   3.208   4.526
   74    HG2  ARG  11           HG2      ARG  11   2.343   2.082   3.290
   75    HG3  ARG  11           HG1      ARG  11   2.448   2.801   4.896
   76    HD2  ARG  11           HD2      ARG  11   0.415   0.679   4.152
   77    HD3  ARG  11           HD1      ARG  11   1.972   0.313   4.881
   78    HE   ARG  11           HE       ARG  11   0.786   2.222   6.512
   79   HH11  ARG  11          1HH2      ARG  11   0.108  -0.961   5.336
   80   HH12  ARG  11          2HH2      ARG  11  -0.794  -1.436   6.737
   81   HH21  ARG  11          1HH1      ARG  11  -0.397   1.606   8.352
   82   HH22  ARG  11          2HH1      ARG  11  -1.080   0.017   8.444
   83    H    ABA  12           H        ABA  12  -2.360   2.566   2.544
   84    HA   ABA  12           HA       ABA  12  -3.101   5.107   1.259
   85    HB3  ABA  12           HB1      ABA  12  -5.421   3.946   1.276
   86    HB2  ABA  12           HB2      ABA  12  -4.515   2.483   1.663
   87    HG1  ABA  12           HG       ABA  12  -3.967   4.182  -0.826
   88    H    ARG  13           H        ARG  13  -4.838   6.376   2.155
   89    HA   ARG  13           HA       ARG  13  -4.728   6.443   5.076
   90    HB2  ARG  13           HB2      ARG  13  -5.820   8.643   4.831
   91    HB3  ARG  13           HB1      ARG  13  -4.354   8.538   3.856
   92    HG2  ARG  13           HG2      ARG  13  -5.721   7.997   1.866
   93    HG3  ARG  13           HG1      ARG  13  -7.186   8.126   2.838
   94    HD2  ARG  13           HD2      ARG  13  -6.658  10.478   3.336
   95    HD3  ARG  13           HD1      ARG  13  -5.183  10.357   2.380
   96    HE   ARG  13           HE       ARG  13  -7.368   9.585   0.770
   97   HH11  ARG  13          1HH2      ARG  13  -6.029  12.344   2.373
   98   HH12  ARG  13          2HH2      ARG  13  -6.661  13.485   1.233
   99   HH21  ARG  13          1HH1      ARG  13  -8.198  11.076  -0.729
  100   HH22  ARG  13          2HH1      ARG  13  -7.888  12.767  -0.523
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1   0.771   3.860  -7.838
    2    H2   GLY   1           HT2      GLY   1   0.955   2.768  -6.549
    3    H3   GLY   1           HT3      GLY   1  -0.385   3.812  -6.597
    4    HA2  GLY   1           HA2      GLY   1  -1.457   2.629  -8.226
    5    HA3  GLY   1           HA1      GLY   1   0.052   1.921  -8.805
    6    H    CYS   2           H        CYS   2   0.928   1.396  -6.001
    7    HA   CYS   2           HA       CYS   2  -0.673  -1.048  -5.579
    8    HB2  CYS   2           HB2      CYS   2   1.273  -2.002  -4.549
    9    HB3  CYS   2           HB1      CYS   2   1.773  -1.286  -6.081
   10    H    ABA   3           H        ABA   3  -1.820   1.159  -4.634
   11    HA   ABA   3           HA       ABA   3  -1.069   1.563  -1.850
   12    HB3  ABA   3           HB1      ABA   3  -3.101   2.756  -3.704
   13    HB2  ABA   3           HB2      ABA   3  -1.829   3.555  -2.779
   14    HG1  ABA   3           HG       ABA   3  -4.345   2.352  -1.511
   15    H    SER   4           H        SER   4  -3.619  -0.007  -3.715
   16    HA   SER   4           HA       SER   4  -5.265  -0.679  -1.487
   17    HB2  SER   4           HB2      SER   4  -6.436  -2.128  -3.032
   18    HB3  SER   4           HB1      SER   4  -6.042  -0.625  -3.862
   19    HG   SER   4           HG       SER   4  -5.300  -2.081  -5.250
   20    H    ASP   5           H        ASP   5  -2.343  -1.971  -2.754
   21    HA   ASP   5           HA       ASP   5  -2.706  -4.576  -1.508
   22    HB2  ASP   5           HB2      ASP   5  -0.332  -3.400  -2.961
   23    HB3  ASP   5           HB1      ASP   5  -0.479  -5.073  -2.422
   24    HA   PRO   6           HA       PRO   6  -0.956  -2.928   2.278
   25    HB2  PRO   6           HB2      PRO   6  -1.195  -5.229   3.744
   26    HB3  PRO   6           HB1      PRO   6  -2.555  -4.141   3.407
   27    HG2  PRO   6           HG2      PRO   6  -1.829  -6.720   2.121
   28    HG3  PRO   6           HG1      PRO   6  -3.425  -6.062   2.514
   29    HD2  PRO   6           HD2      PRO   6  -2.336  -6.017  -0.015
   30    HD3  PRO   6           HD1      PRO   6  -3.555  -4.855   0.558
   31    H    ARG   7           H        ARG   7   0.190  -5.579   0.390
   32    HA   ARG   7           HA       ARG   7   2.550  -6.101   1.964
   33    HB2  ARG   7           HB2      ARG   7   1.786  -6.918  -0.851
   34    HB3  ARG   7           HB1      ARG   7   3.213  -7.496   0.011
   35    HG2  ARG   7           HG2      ARG   7   0.553  -7.730   1.363
   36    HG3  ARG   7           HG1      ARG   7   0.938  -8.870   0.073
   37    HD2  ARG   7           HD2      ARG   7   2.712  -8.332   2.471
   38    HD3  ARG   7           HD1      ARG   7   1.611  -9.698   2.333
   39    HE   ARG   7           HE       ARG   7   3.214  -9.766   0.065
   40   HH11  ARG   7          1HH2      ARG   7   3.586  -9.874   3.502
   41   HH12  ARG   7          2HH2      ARG   7   5.006 -10.865   3.456
   42   HH21  ARG   7          1HH1      ARG   7   5.076 -11.065  -0.005
   43   HH22  ARG   7          2HH1      ARG   7   5.850 -11.539   1.471
   44    H    CYS   8           H        CYS   8   1.613  -3.722  -0.269
   45    HA   CYS   8           HA       CYS   8   4.273  -3.210  -1.316
   46    HB2  CYS   8           HB2      CYS   8   1.963  -2.781  -2.466
   47    HB3  CYS   8           HB1      CYS   8   1.986  -1.283  -1.536
   48    H    ARG   9           H        ARG   9   5.406  -1.207  -1.033
   49    HA   ARG   9           HA       ARG   9   5.777  -0.539   1.667
   50    HB2  ARG   9           HB2      ARG   9   7.492  -0.192  -0.072
   51    HB3  ARG   9           HB1      ARG   9   6.503   1.083  -0.785
   52    HG2  ARG   9           HG2      ARG   9   6.663   2.411   1.243
   53    HG3  ARG   9           HG1      ARG   9   7.515   1.109   2.071
   54    HD2  ARG   9           HD2      ARG   9   8.535   2.507  -0.415
   55    HD3  ARG   9           HD1      ARG   9   9.044   2.900   1.224
   56    HE   ARG   9           HE       ARG   9   9.434   0.156   0.889
   57   HH11  ARG   9          1HH2      ARG   9  10.527   3.149  -0.460
   58   HH12  ARG   9          2HH2      ARG   9  12.095   2.546  -0.883
   59   HH21  ARG   9          1HH1      ARG   9  11.488  -0.643   0.336
   60   HH22  ARG   9          2HH1      ARG   9  12.638   0.398  -0.433
   61    H    TYR  10           H        TYR  10   4.003   1.145  -0.915
   62    HA   TYR  10           HA       TYR  10   3.022   3.122   1.017
   63    HB2  TYR  10           HB2      TYR  10   3.860   3.692  -1.348
   64    HB3  TYR  10           HB1      TYR  10   2.335   3.012  -1.915
   65    HD1  TYR  10           HD1      TYR  10   3.907   5.738  -0.001
   66    HD2  TYR  10           HD2      TYR  10   0.199   4.085  -1.406
   67    HE1  TYR  10           HE1      TYR  10   2.749   7.857   0.561
   68    HE2  TYR  10           HE2      TYR  10  -0.958   6.206  -0.844
   69    HH   TYR  10           HH       TYR  10  -0.748   8.146   0.369
   70    H    ARG  11           H        ARG  11   1.148   2.844   2.028
   71    HA   ARG  11           HA       ARG  11  -0.946   1.220   0.717
   72    HB2  ARG  11           HB2      ARG  11   0.200  -0.023   2.568
   73    HB3  ARG  11           HB1      ARG  11  -0.347   1.229   3.681
   74    HG2  ARG  11           HG2      ARG  11  -2.704   0.766   2.944
   75    HG3  ARG  11           HG1      ARG  11  -2.092  -0.592   2.001
   76    HD2  ARG  11           HD2      ARG  11  -2.832  -1.476   4.112
   77    HD3  ARG  11           HD1      ARG  11  -1.071  -1.493   4.128
   78    HE   ARG  11           HE       ARG  11  -1.113   0.127   5.804
   79   HH11  ARG  11          1HH2      ARG  11  -4.216  -0.257   4.323
   80   HH12  ARG  11          2HH2      ARG  11  -5.047   0.717   5.491
   81   HH21  ARG  11          1HH1      ARG  11  -2.194   1.406   7.338
   82   HH22  ARG  11          2HH1      ARG  11  -3.902   1.658   7.197
   83    H    ABA  12           H        ABA  12  -2.881   2.180   0.590
   84    HA   ABA  12           HA       ABA  12  -3.244   4.748   1.985
   85    HB3  ABA  12           HB1      ABA  12  -4.531   5.424   0.227
   86    HB2  ABA  12           HB2      ABA  12  -5.233   3.825  -0.011
   87    HG1  ABA  12           HG       ABA  12  -2.561   4.799  -1.085
   88    H    ARG  13           H        ARG  13  -6.039   4.860   1.853
   89    HA   ARG  13           HA       ARG  13  -6.715   3.116   4.103
   90    HB2  ARG  13           HB2      ARG  13  -8.697   4.566   4.328
   91    HB3  ARG  13           HB1      ARG  13  -7.208   5.512   4.301
   92    HG2  ARG  13           HG2      ARG  13  -7.543   5.947   1.883
   93    HG3  ARG  13           HG1      ARG  13  -9.056   5.043   1.941
   94    HD2  ARG  13           HD2      ARG  13  -9.947   6.627   3.605
   95    HD3  ARG  13           HD1      ARG  13  -8.435   7.529   3.561
   96    HE   ARG  13           HE       ARG  13  -9.442   7.344   0.936
   97   HH11  ARG  13          1HH2      ARG  13 -10.161   8.762   4.009
   98   HH12  ARG  13          2HH2      ARG  13 -10.990  10.128   3.340
   99   HH21  ARG  13          1HH1      ARG  13 -10.528   9.132   0.050
  100   HH22  ARG  13          2HH1      ARG  13 -11.198  10.337   1.099
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1  -1.067   3.020  -6.559
    2    H2   GLY   1           HT2      GLY   1  -1.174   3.863  -8.030
    3    H3   GLY   1           HT3      GLY   1   0.344   3.440  -7.400
    4    HA2  GLY   1           HA2      GLY   1  -1.534   1.862  -8.929
    5    HA3  GLY   1           HA1      GLY   1   0.218   1.706  -8.790
    6    H    CYS   2           H        CYS   2   0.638   1.389  -6.138
    7    HA   CYS   2           HA       CYS   2  -0.793  -1.127  -5.531
    8    HB2  CYS   2           HB2      CYS   2   1.142  -1.896  -4.449
    9    HB3  CYS   2           HB1      CYS   2   1.684  -1.204  -5.970
   10    H    ABA   3           H        ABA   3  -2.102   1.026  -4.858
   11    HA   ABA   3           HA       ABA   3  -1.531   1.896  -2.154
   12    HB3  ABA   3           HB1      ABA   3  -4.170   2.407  -3.448
   13    HB2  ABA   3           HB2      ABA   3  -2.740   3.170  -4.144
   14    HG1  ABA   3           HG       ABA   3  -2.747   4.712  -2.354
   15    H    SER   4           H        SER   4  -3.974  -0.118  -3.766
   16    HA   SER   4           HA       SER   4  -5.367  -0.754  -1.342
   17    HB2  SER   4           HB2      SER   4  -6.621  -2.311  -2.700
   18    HB3  SER   4           HB1      SER   4  -6.400  -0.824  -3.618
   19    HG   SER   4           HG       SER   4  -5.819  -2.422  -4.990
   20    H    ASP   5           H        ASP   5  -2.481  -1.895  -2.800
   21    HA   ASP   5           HA       ASP   5  -2.614  -4.543  -1.697
   22    HB2  ASP   5           HB2      ASP   5  -0.325  -3.024  -2.923
   23    HB3  ASP   5           HB1      ASP   5  -0.275  -4.728  -2.464
   24    HA   PRO   6           HA       PRO   6  -1.049  -3.025   2.283
   25    HB2  PRO   6           HB2      PRO   6  -1.169  -5.346   3.675
   26    HB3  PRO   6           HB1      PRO   6  -2.614  -4.399   3.271
   27    HG2  PRO   6           HG2      PRO   6  -1.551  -6.866   1.992
   28    HG3  PRO   6           HG1      PRO   6  -3.224  -6.390   2.322
   29    HD2  PRO   6           HD2      PRO   6  -2.000  -6.156  -0.154
   30    HD3  PRO   6           HD1      PRO   6  -3.408  -5.201   0.371
   31    H    ARG   7           H        ARG   7   0.303  -5.636   0.420
   32    HA   ARG   7           HA       ARG   7   2.662  -5.993   2.027
   33    HB2  ARG   7           HB2      ARG   7   3.406  -7.464   0.258
   34    HB3  ARG   7           HB1      ARG   7   1.695  -7.765   0.556
   35    HG2  ARG   7           HG2      ARG   7   1.166  -6.190  -1.340
   36    HG3  ARG   7           HG1      ARG   7   2.891  -6.129  -1.698
   37    HD2  ARG   7           HD2      ARG   7   2.903  -8.596  -1.973
   38    HD3  ARG   7           HD1      ARG   7   1.166  -8.618  -1.684
   39    HE   ARG   7           HE       ARG   7   2.506  -7.757  -4.109
   40   HH11  ARG   7          1HH2      ARG   7  -0.339  -7.644  -2.141
   41   HH12  ARG   7          2HH2      ARG   7  -1.396  -7.234  -3.450
   42   HH21  ARG   7          1HH1      ARG   7   1.126  -7.218  -5.831
   43   HH22  ARG   7          2HH1      ARG   7  -0.566  -6.993  -5.540
   44    H    CYS   8           H        CYS   8   1.687  -3.763  -0.391
   45    HA   CYS   8           HA       CYS   8   4.265  -3.113  -1.432
   46    HB2  CYS   8           HB2      CYS   8   1.911  -2.599  -2.393
   47    HB3  CYS   8           HB1      CYS   8   1.962  -1.185  -1.342
   48    H    ARG   9           H        ARG   9   5.502  -1.206  -1.010
   49    HA   ARG   9           HA       ARG   9   5.966  -0.672   1.699
   50    HB2  ARG   9           HB2      ARG   9   7.603  -0.312  -0.158
   51    HB3  ARG   9           HB1      ARG   9   6.665   1.097  -0.656
   52    HG2  ARG   9           HG2      ARG   9   6.996   2.086   1.597
   53    HG3  ARG   9           HG1      ARG   9   7.994   0.701   2.035
   54    HD2  ARG   9           HD2      ARG   9   8.561   2.603  -0.255
   55    HD3  ARG   9           HD1      ARG   9   9.365   2.637   1.312
   56    HE   ARG   9           HE       ARG   9   9.798   0.704  -0.821
   57   HH11  ARG   9          1HH2      ARG   9  10.153   1.542   2.517
   58   HH12  ARG   9          2HH2      ARG   9  11.476   0.458   2.791
   59   HH21  ARG   9          1HH1      ARG   9  11.530  -0.722  -0.469
   60   HH22  ARG   9          2HH1      ARG   9  12.255  -0.823   1.100
   61    H    TYR  10           H        TYR  10   4.157   1.164  -0.752
   62    HA   TYR  10           HA       TYR  10   3.279   3.060   1.313
   63    HB2  TYR  10           HB2      TYR  10   4.066   3.990  -0.828
   64    HB3  TYR  10           HB1      TYR  10   2.828   3.067  -1.682
   65    HD1  TYR  10           HD1      TYR  10   3.337   5.688   0.919
   66    HD2  TYR  10           HD2      TYR  10   0.598   3.870  -1.847
   67    HE1  TYR  10           HE1      TYR  10   1.695   7.495   1.357
   68    HE2  TYR  10           HE2      TYR  10  -1.043   5.676  -1.408
   69    HH   TYR  10           HH       TYR  10  -1.046   7.999  -0.598
   70    H    ARG  11           H        ARG  11   1.353   2.871   2.266
   71    HA   ARG  11           HA       ARG  11  -0.686   1.136   0.998
   72    HB2  ARG  11           HB2      ARG  11  -0.140   1.591   3.941
   73    HB3  ARG  11           HB1      ARG  11  -1.456   0.615   3.286
   74    HG2  ARG  11           HG2      ARG  11   0.099  -0.931   2.275
   75    HG3  ARG  11           HG1      ARG  11   1.467   0.105   2.680
   76    HD2  ARG  11           HD2      ARG  11  -0.367  -1.192   4.713
   77    HD3  ARG  11           HD1      ARG  11   1.216  -1.811   4.256
   78    HE   ARG  11           HE       ARG  11   1.572   0.851   5.026
   79   HH11  ARG  11          1HH2      ARG  11   0.503  -2.156   6.363
   80   HH12  ARG  11          2HH2      ARG  11   1.029  -1.788   7.971
   81   HH21  ARG  11          1HH1      ARG  11   2.265   1.343   7.133
   82   HH22  ARG  11          2HH1      ARG  11   2.026   0.194   8.407
   83    H    ABA  12           H        ABA  12  -2.804   1.826   0.994
   84    HA   ABA  12           HA       ABA  12  -3.404   4.449   2.185
   85    HB3  ABA  12           HB1      ABA  12  -2.871   5.087  -0.036
   86    HB2  ABA  12           HB2      ABA  12  -4.631   5.005   0.014
   87    HG1  ABA  12           HG       ABA  12  -4.110   2.447  -0.816
   88    H    ARG  13           H        ARG  13  -5.865   4.911   1.757
   89    HA   ARG  13           HA       ARG  13  -7.343   2.964   3.137
   90    HB2  ARG  13           HB2      ARG  13  -8.324   5.205   1.352
   91    HB3  ARG  13           HB1      ARG  13  -9.325   4.296   2.484
   92    HG2  ARG  13           HG2      ARG  13  -8.038   5.088   4.368
   93    HG3  ARG  13           HG1      ARG  13  -6.844   5.829   3.303
   94    HD2  ARG  13           HD2      ARG  13  -9.766   6.620   3.406
   95    HD3  ARG  13           HD1      ARG  13  -8.474   7.478   4.241
   96    HE   ARG  13           HE       ARG  13  -7.728   7.302   1.556
   97   HH11  ARG  13          1HH2      ARG  13 -10.254   8.652   3.497
   98   HH12  ARG  13          2HH2      ARG  13 -10.550   9.985   2.431
   99   HH21  ARG  13          1HH1      ARG  13  -8.109   9.047   0.153
  100   HH22  ARG  13          2HH1      ARG  13  -9.336  10.209   0.537