*HEADER    NEUROPEPTIDE                            26-OCT-06   2NOR              
*TITLE     SOLUTION STRUCTURE OF NK1 AGONIST PHYLLOMEDUSIN BOUND TO              
*TITLE    2 DPC MICELLES                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PHYLLOMEDUSIN;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED                
*KEYWDS    HELIX, 3-10 HELIX, LIPID INDUCED CONFORMATION, DPC MICELLES,          
*KEYWDS   2 NEUROPEPTIDE                                                         
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.DIKE, S.M.COWSIK                                                    
*REVDAT   1   06-NOV-07 2NOR    0                                                


DISTANCE CONSTRAINTS
1 PGLU 
         HA      1 PGLU HB2     4.00
         HA      1 PGLU HB3     4.00

2 ASN
         HN      2 ASN  HA          3.50
         HN     1 PGLU HA         3.50
         HN     1 PGLU HB2       4.50
         HA      2 ASN  QB          3.50
         HN      2 ASN  HB2        3.50  
         HN      2 ASN  HB3        3.50 

3 PRO
         HA      3 PRO  HB2        3.50
         HA      3 PRO  HB3        3.50
         HA      3 PRO  QD          4.50
         QD      2 ASN  HA          4.00

4 ASN
         HN      4 ASN  HA         3.50
         HN      3 PRO  QD         4.00
         HN      3 PRO  HA         3.50
         HA      4 ASN  QB         3.50
         HN      4 ASN  QB         3.50 
         HN      2 ASN  HA         4.00

5 ARG
         HN      5 ARG  QB         3.80
         HN      5 ARG  HA         3.00
         HN      5 ARG  QG         4.20
         HN      5 ARG  QD         4.50
         HA      5 ARG  QB         3.50
         HN      3 PRO  HA         4.00
         HN      4 ASN  HA         3.50
         HN      4 ASN  HN         2.80

6 PHE
         HN      5 ARG  HN         2.80
         HN      5 ARG  HA        3.50
         HN      6 PHE  HA         3.00
         HN      6 PHE  HB2       3.50
         HN      6 PHE  HB3       4.50
         HN      5 ARG  QB        4.50
         HA      6 PHE  HB2       4.50
         HA      6 PHE  HB3       4.50  
         HA      9 LEU  QB         3.50

7 ILE 
         HN      5 ARG  HA       4.00
         HN      6 PHE  HA        3.50
         HN      4 ASN  HA       4.20
         HN      7 ILE  HA         3.00
         HN      6 PHE  HB2       4.00
         HN      6 PHE  HB3       3.50
         HN      7 ILE  QG2        4.50
         HN      7 ILE  QD1        4.00
         HA     10 MET  HB2     4.40
         HA      7 ILE     HB       3.50
         HA      7 ILE  QG2        3.50
         HA      7 ILE  QG2        3.50
         HA      7 ILE  QD1        4.50
         QG2     7 ILE  HG21     3.50
         QG2     7 ILE  QD1       4.50
         HN       6 PHE  HN       2.80
         HN       5 ARG  HN      4.00 

8 GLY
          HN       7 ILE  HN      2.80
          HN       6 PHE  HN      4.00
          HN       6 PHE  HA      4.20
          HN       8 GLY QA                  3.00
          HN       7 ILE  HA      3.50
          HN       7 ILE  HB      4.20
          HN       5 ARG HA      5.00 

9 LEU
          HN        8 GLY  QA     3.50
          HN        9 LEU  HA      3.00
          HN        9 LEU  QB       3.50
          HN        9 LEU  HG       4.50
          HN        9 LEU  QQD    4.50
          HA        9 LEU  QB       3.50
          HA        9 LEU  HG       4.50
          HA        9 LEU  QQD    4.50
          QB         9 LEU  HG      3.50
          QB         9 LEU  QQD   3.50
          HN         7 ILE    HA     4.00
          HN         5 ARG  HA     5.00
          HN         6 PHE  HA      4.50
          HN         8 GLY  HN     2.80
          HN         7 ILE    HN     4.00

10 MET
           HN         9 LEU  HN       2.80
           HN         8 GLY  HN       4.00
           HN       10 MET  HA       3.00
           HN         9 LEU  HA        3.50
           HN         8 GLY  QA       4.00
           HN        10 MET  QG      4.50
           HN        10 MET  QB      3.50
           HN          9 LEU  HG       4.50
           HN          9 LEU  QD2     5.00
           HA        10 MET  HG2    3.50
           HA        10 MET  QG      4.50
           HA        10 MET  QB      4.50
           HA        10 MET  QE      4.50
           HN          9 LEU  QB      4.00
           HN          7 ILE    HA      4.00         
           HN          6 PHE  HA      5.00




Angle Constraints
 2 ASN   PHI    -90.0   -70.0
 4 ASN   PHI    -85.0   -65.0   
 5 ARG   PHI    -85.0   -65.0   
 6 PHE   PHI    -75.0   -55.0   
 7 ILE   PHI    -75.0   -55.0  
 8 GLY   PHI    -75.0   -55.0   
 9 LEU   PHI    -85.0   -65.0  
10 MET   PHI    -90.0   -70.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PCA   1           HA       PCA   1  -9.887   4.678   5.447
    2    H1   PCA   1           HN       PCA   1  -9.363   3.447   7.531
    3    HB2  PCA   1           3HB      PCA   1  -8.653   7.186   5.720
    4    HB3  PCA   1           2HB      PCA   1 -10.339   6.809   6.185
    5    HG2  PCA   1           3HG      PCA   1  -7.931   7.039   7.969
    6    HG3  PCA   1           2HG      PCA   1  -9.646   7.426   8.317
    7    H    ASN   2           H        ASN   2  -6.935   4.134   7.237
    8    HA   ASN   2           HA       ASN   2  -5.288   4.696   4.957
    9    HB2  ASN   2           2HB      ASN   2  -4.892   4.060   7.848
   10    HB3  ASN   2           3HB      ASN   2  -3.671   3.371   6.796
   11   HD21  ASN   2          1HD2      ASN   2  -2.852   5.165   8.555
   12   HD22  ASN   2          2HD2      ASN   2  -2.460   6.688   7.831
   13    HA   PRO   3           HA       PRO   3  -5.361   0.510   3.635
   14    HB2  PRO   3           2HB      PRO   3  -3.117   0.420   2.078
   15    HB3  PRO   3           3HB      PRO   3  -4.643   1.079   1.523
   16    HG2  PRO   3           2HG      PRO   3  -2.189   2.515   2.333
   17    HG3  PRO   3           3HG      PRO   3  -3.545   3.103   1.393
   18    HD2  PRO   3           2HD      PRO   3  -2.997   3.666   4.152
   19    HD3  PRO   3           3HD      PRO   3  -4.412   4.159   3.242
   20    H    ASN   4           H        ASN   4  -2.805   1.744   5.503
   21    HA   ASN   4           HA       ASN   4  -1.449  -0.712   5.739
   22    HB2  ASN   4           2HB      ASN   4  -0.351   0.470   7.731
   23    HB3  ASN   4           3HB      ASN   4  -0.224   1.331   6.211
   24   HD21  ASN   4          1HD2      ASN   4  -0.577   3.400   6.342
   25   HD22  ASN   4          2HD2      ASN   4  -1.651   4.224   7.423
   26    H    ARG   5           H        ARG   5  -4.380   0.640   7.017
   27    HA   ARG   5           HA       ARG   5  -4.269  -0.718   9.508
   28    HE   ARG   5           HE       ARG   5  -6.356   2.055  12.489
   29    HB2  ARG   5           2HB      ARG   5  -6.163   1.092   8.070
   30    HB3  ARG   5           3HB      ARG   5  -6.933  -0.052   9.151
   31    HG2  ARG   5           2HG      ARG   5  -5.492   0.706  11.026
   32    HG3  ARG   5           3HG      ARG   5  -4.639   1.800   9.955
   33    HD2  ARG   5           2HD      ARG   5  -6.279   3.383  10.095
   34    HD3  ARG   5           3HD      ARG   5  -7.549   2.210   9.802
   35   HH11  ARG   5          2HH2      ARG   5  -8.924   3.478  10.505
   36   HH12  ARG   5          1HH2      ARG   5  -9.945   3.829  11.859
   37   HH21  ARG   5          HH1       ARG   5  -9.208   3.257  14.066
   38    H    PHE   6           H        PHE   6  -5.206  -1.434   6.211
   39    HA   PHE   6           HA       PHE   6  -7.112  -3.450   6.838
   40    HD1  PHE   6           HD2      PHE   6  -7.378  -0.540   4.793
   41    HD2  PHE   6           HD1      PHE   6  -8.385  -4.581   3.975
   42    HE1  PHE   6           HE2      PHE   6  -9.696   0.169   4.139
   43    HE2  PHE   6           HE1      PHE   6 -10.701  -3.871   3.322
   44    HZ   PHE   6           HZ       PHE   6 -11.330  -1.505   3.411
   45    HB2  PHE   6           2HB      PHE   6  -5.638  -2.263   4.502
   46    HB3  PHE   6           3HB      PHE   6  -6.088  -3.942   4.277
   47    H    ILE   7           H        ILE   7  -3.599  -3.265   6.647
   48    HA   ILE   7           HA       ILE   7  -3.223  -6.054   6.180
   49    HB   ILE   7           HB       ILE   7  -1.294  -3.971   7.208
   50   HG12  ILE   7          2HG1      ILE   7  -2.164  -3.165   5.137
   51   HG13  ILE   7          3HG1      ILE   7  -0.568  -3.818   4.826
   52   HG21  ILE   7          1HG2      ILE   7   0.071  -5.869   5.699
   53   HG22  ILE   7          2HG2      ILE   7   0.075  -5.702   7.471
   54   HG23  ILE   7          3HG2      ILE   7  -1.064  -6.821   6.686
   55   HD11  ILE   7          3HD1      ILE   7  -2.171  -4.543   3.084
   56   HD12  ILE   7          1HD1      ILE   7  -1.577  -5.943   4.010
   57   HD13  ILE   7          2HD1      ILE   7  -3.200  -5.287   4.332
   58    H    GLY   8           H        GLY   8  -3.886  -3.984   8.941
   59    HA2  GLY   8           1HA      GLY   8  -2.831  -5.750  10.930
   60    HA3  GLY   8           2HA      GLY   8  -3.890  -4.375  11.170
   61    H    LEU   9           H        LEU   9  -5.877  -5.438   9.111
   62    HA   LEU   9           HA       LEU   9  -7.371  -7.016  10.972
   63    HG   LEU   9           HG       LEU   9  -9.433  -8.037   9.174
   64    HB2  LEU   9           2HB      LEU   9  -8.793  -5.640   9.905
   65    HB3  LEU   9           3HB      LEU   9  -7.838  -5.584   8.438
   66   HD11  LEU   9          1HD1      LEU   9 -11.373  -7.244   8.189
   67   HD12  LEU   9          2HD1      LEU   9 -10.797  -5.829   9.104
   68   HD13  LEU   9          3HD1      LEU   9 -10.533  -5.920   7.346
   69   HD21  LEU   9          3HD2      LEU   9  -9.431  -7.799   6.447
   70   HD22  LEU   9          1HD2      LEU   9  -7.835  -7.138   6.878
   71   HD23  LEU   9          2HD2      LEU   9  -8.290  -8.778   7.399
   72    H    MET  10           H        MET  10  -5.020  -7.627   8.523
   73    HA   MET  10           HA       MET  10  -6.059 -10.103   7.665
   74    HB2  MET  10           2HB      MET  10  -4.228  -8.446   6.636
   75    HB3  MET  10           3HB      MET  10  -3.106  -9.356   7.628
   76    HG2  MET  10           2HG      MET  10  -3.179 -11.173   6.241
   77    HG3  MET  10           3HG      MET  10  -4.928 -11.127   6.128
   78    HE1  MET  10           3HE      MET  10  -5.728  -9.371   2.961
   79    HE2  MET  10           1HE      MET  10  -5.982 -10.843   3.929
   80    HE3  MET  10           2HE      MET  10  -6.206  -9.240   4.670
  Start of MODEL    2
    1    HA   PCA   1           HA       PCA   1  -9.497   5.112   4.656
    2    H1   PCA   1           HN       PCA   1  -9.374   4.353   7.011
    3    HB2  PCA   1           3HB      PCA   1  -8.074   7.532   4.567
    4    HB3  PCA   1           2HB      PCA   1  -9.835   7.379   4.843
    5    HG2  PCA   1           3HG      PCA   1  -7.673   7.851   6.877
    6    HG3  PCA   1           2HG      PCA   1  -9.373   8.418   6.872
    7    H    ASN   2           H        ASN   2  -6.919   4.681   6.938
    8    HA   ASN   2           HA       ASN   2  -4.848   4.784   4.996
    9    HB2  ASN   2           2HB      ASN   2  -5.097   4.494   7.899
   10    HB3  ASN   2           3HB      ASN   2  -3.991   3.284   7.279
   11   HD21  ASN   2          1HD2      ASN   2  -2.215   3.958   5.948
   12   HD22  ASN   2          2HD2      ASN   2  -1.493   5.518   6.157
   13    HA   PRO   3           HA       PRO   3  -5.461   0.592   3.790
   14    HB2  PRO   3           2HB      PRO   3  -3.271   0.285   2.185
   15    HB3  PRO   3           3HB      PRO   3  -4.763   1.025   1.639
   16    HG2  PRO   3           2HG      PRO   3  -2.197   2.320   2.329
   17    HG3  PRO   3           3HG      PRO   3  -3.534   2.962   1.396
   18    HD2  PRO   3           2HD      PRO   3  -2.877   3.596   4.116
   19    HD3  PRO   3           3HD      PRO   3  -4.279   4.148   3.221
   20    H    ASN   4           H        ASN   4  -2.627   1.703   5.385
   21    HA   ASN   4           HA       ASN   4  -1.438  -0.776   5.722
   22    HB2  ASN   4           2HB      ASN   4  -0.579   1.678   6.235
   23    HB3  ASN   4           3HB      ASN   4  -1.311   1.439   7.810
   24   HD21  ASN   4          1HD2      ASN   4   1.516   1.644   6.729
   25   HD22  ASN   4          2HD2      ASN   4   2.373   0.311   7.430
   26    H    ARG   5           H        ARG   5  -4.344   0.619   6.992
   27    HA   ARG   5           HA       ARG   5  -4.259  -0.718   9.492
   28    HE   ARG   5           HE       ARG   5  -7.338   2.166  11.161
   29    HB2  ARG   5           2HB      ARG   5  -6.484   0.734   7.981
   30    HB3  ARG   5           3HB      ARG   5  -6.721   0.038   9.572
   31    HG2  ARG   5           2HG      ARG   5  -4.380   1.905   9.132
   32    HG3  ARG   5           3HG      ARG   5  -5.986   2.589   9.294
   33    HD2  ARG   5           2HD      ARG   5  -5.178   0.525  11.330
   34    HD3  ARG   5           3HD      ARG   5  -4.396   2.089  11.435
   35   HH11  ARG   5          2HH2      ARG   5  -4.570   2.244  13.371
   36   HH12  ARG   5          1HH2      ARG   5  -5.465   2.967  14.665
   37   HH21  ARG   5          HH1       ARG   5  -7.786   3.474  14.347
   38    H    PHE   6           H        PHE   6  -5.184  -1.461   6.198
   39    HA   PHE   6           HA       PHE   6  -7.108  -3.456   6.833
   40    HD1  PHE   6           HD2      PHE   6  -6.380  -5.544   3.756
   41    HD2  PHE   6           HD1      PHE   6  -8.857  -2.186   4.528
   42    HE1  PHE   6           HE2      PHE   6  -8.332  -6.751   2.742
   43    HE2  PHE   6           HE1      PHE   6 -10.810  -3.395   3.514
   44    HZ   PHE   6           HZ       PHE   6 -10.524  -5.663   2.633
   45    HB2  PHE   6           2HB      PHE   6  -6.437  -1.995   4.633
   46    HB3  PHE   6           3HB      PHE   6  -5.412  -3.379   4.308
   47    H    ILE   7           H        ILE   7  -3.595  -3.297   6.688
   48    HA   ILE   7           HA       ILE   7  -3.229  -6.092   6.237
   49    HB   ILE   7           HB       ILE   7  -1.342  -3.951   7.228
   50   HG12  ILE   7          2HG1      ILE   7  -2.185  -3.391   5.037
   51   HG13  ILE   7          3HG1      ILE   7  -0.521  -3.926   4.902
   52   HG21  ILE   7          1HG2      ILE   7  -1.041  -6.776   7.184
   53   HG22  ILE   7          2HG2      ILE   7  -0.024  -6.102   5.888
   54   HG23  ILE   7          3HG2      ILE   7   0.173  -5.531   7.562
   55   HD11  ILE   7          3HD1      ILE   7  -1.240  -5.390   3.324
   56   HD12  ILE   7          1HD1      ILE   7  -2.008  -6.303   4.645
   57   HD13  ILE   7          2HD1      ILE   7  -2.946  -5.093   3.737
   58    H    GLY   8           H        GLY   8  -3.902  -3.999   8.985
   59    HA2  GLY   8           1HA      GLY   8  -2.901  -5.778  10.991
   60    HA3  GLY   8           2HA      GLY   8  -3.939  -4.383  11.215
   61    H    LEU   9           H        LEU   9  -5.915  -5.426   9.129
   62    HA   LEU   9           HA       LEU   9  -7.456  -6.975  10.978
   63    HG   LEU   9           HG       LEU   9  -9.432  -8.013   9.113
   64    HB2  LEU   9           2HB      LEU   9  -8.844  -5.571   9.901
   65    HB3  LEU   9           3HB      LEU   9  -7.875  -5.534   8.441
   66   HD11  LEU   9          1HD1      LEU   9 -11.360  -7.103   7.842
   67   HD12  LEU   9          2HD1      LEU   9 -11.079  -6.277   9.393
   68   HD13  LEU   9          3HD1      LEU   9 -10.584  -5.502   7.869
   69   HD21  LEU   9          3HD2      LEU   9  -9.247  -8.530   6.871
   70   HD22  LEU   9          1HD2      LEU   9  -9.037  -6.831   6.382
   71   HD23  LEU   9          2HD2      LEU   9  -7.705  -7.697   7.184
   72    H    MET  10           H        MET  10  -5.109  -7.614   8.520
   73    HA   MET  10           HA       MET  10  -6.201 -10.128   7.767
   74    HB2  MET  10           2HB      MET  10  -3.707  -8.508   7.235
   75    HB3  MET  10           3HB      MET  10  -3.591 -10.234   6.950
   76    HG2  MET  10           2HG      MET  10  -6.075  -9.080   5.837
   77    HG3  MET  10           3HG      MET  10  -4.637  -8.338   5.163
   78    HE1  MET  10           3HE      MET  10  -6.515 -11.995   3.771
   79    HE2  MET  10           1HE      MET  10  -7.111 -10.749   4.894
   80    HE3  MET  10           2HE      MET  10  -6.629 -10.300   3.240
  Start of MODEL    3
    1    HA   PCA   1           HA       PCA   1  -7.331   6.400   8.489
    2    H1   PCA   1           HN       PCA   1  -6.113   8.540   8.758
    3    HB2  PCA   1           3HB      PCA   1  -8.425   6.472   5.903
    4    HB3  PCA   1           2HB      PCA   1  -9.256   7.016   7.392
    5    HG2  PCA   1           3HG      PCA   1  -7.900   8.700   5.305
    6    HG3  PCA   1           2HG      PCA   1  -9.325   9.080   6.323
    7    H    ASN   2           H        ASN   2  -5.252   5.408   8.513
    8    HA   ASN   2           HA       ASN   2  -3.643   5.590   6.175
    9    HB2  ASN   2           2HB      ASN   2  -3.262   4.897   8.919
   10    HB3  ASN   2           3HB      ASN   2  -2.887   3.438   8.022
   11   HD21  ASN   2          1HD2      ASN   2  -1.364   3.568   6.261
   12   HD22  ASN   2          2HD2      ASN   2  -0.058   4.705   6.312
   13    HA   PRO   3           HA       PRO   3  -5.442   1.981   4.401
   14    HB2  PRO   3           2HB      PRO   3  -3.746   1.653   2.284
   15    HB3  PRO   3           3HB      PRO   3  -5.100   2.766   2.263
   16    HG2  PRO   3           2HG      PRO   3  -2.217   3.360   2.538
   17    HG3  PRO   3           3HG      PRO   3  -3.522   4.441   2.093
   18    HD2  PRO   3           2HD      PRO   3  -2.213   4.289   4.640
   19    HD3  PRO   3           3HD      PRO   3  -3.594   5.286   4.229
   20    H    ASN   4           H        ASN   4  -2.588   2.122   6.027
   21    HA   ASN   4           HA       ASN   4  -1.815  -0.557   5.418
   22    HB2  ASN   4           2HB      ASN   4  -0.723   1.754   6.908
   23    HB3  ASN   4           3HB      ASN   4  -0.468   0.249   7.767
   24   HD21  ASN   4          1HD2      ASN   4   1.315   2.134   6.266
   25   HD22  ASN   4          2HD2      ASN   4   2.213   1.157   5.153
   26    H    ARG   5           H        ARG   5  -4.436   0.584   6.955
   27    HA   ARG   5           HA       ARG   5  -4.162  -0.780   9.446
   28    HE   ARG   5           HE       ARG   5  -7.632   3.354   9.995
   29    HB2  ARG   5           2HB      ARG   5  -6.041   1.127   8.202
   30    HB3  ARG   5           3HB      ARG   5  -6.888  -0.132   9.081
   31    HG2  ARG   5           2HG      ARG   5  -6.303   0.771  11.081
   32    HG3  ARG   5           3HG      ARG   5  -4.604   0.771  10.648
   33    HD2  ARG   5           2HD      ARG   5  -4.808   3.053  10.701
   34    HD3  ARG   5           3HD      ARG   5  -5.512   2.870   9.107
   35   HH11  ARG   5          2HH2      ARG   5  -5.384   2.676  12.648
   36   HH12  ARG   5          1HH2      ARG   5  -6.489   3.183  13.881
   37   HH21  ARG   5          HH1       ARG   5  -8.664   3.971  13.254
   38    H    PHE   6           H        PHE   6  -5.243  -1.441   6.183
   39    HA   PHE   6           HA       PHE   6  -7.118  -3.464   6.811
   40    HD1  PHE   6           HD1      PHE   6  -8.638  -4.461   4.942
   41    HD2  PHE   6           HD2      PHE   6  -7.104  -0.684   3.764
   42    HE1  PHE   6           HE1      PHE   6 -10.946  -3.730   4.279
   43    HE2  PHE   6           HE2      PHE   6  -9.412   0.047   3.100
   44    HZ   PHE   6           HZ       PHE   6 -11.305  -1.485   3.366
   45    HB2  PHE   6           2HB      PHE   6  -5.625  -2.298   4.477
   46    HB3  PHE   6           3HB      PHE   6  -6.092  -3.973   4.256
   47    H    ILE   7           H        ILE   7  -3.603  -3.307   6.629
   48    HA   ILE   7           HA       ILE   7  -3.249  -6.102   6.174
   49    HB   ILE   7           HB       ILE   7  -1.416  -3.859   7.003
   50   HG12  ILE   7          2HG1      ILE   7  -0.574  -4.940   4.591
   51   HG13  ILE   7          3HG1      ILE   7  -2.320  -5.001   4.461
   52   HG21  ILE   7          1HG2      ILE   7  -0.750  -6.103   7.974
   53   HG22  ILE   7          2HG2      ILE   7  -0.529  -6.660   6.297
   54   HG23  ILE   7          3HG2      ILE   7   0.447  -5.310   6.923
   55   HD11  ILE   7          3HD1      ILE   7  -0.524  -2.602   4.808
   56   HD12  ILE   7          1HD1      ILE   7  -1.895  -2.833   3.697
   57   HD13  ILE   7          2HD1      ILE   7  -2.191  -2.523   5.425
   58    H    GLY   8           H        GLY   8  -3.904  -4.016   8.925
   59    HA2  GLY   8           1HA      GLY   8  -2.867  -5.782  10.924
   60    HA3  GLY   8           2HA      GLY   8  -3.916  -4.397  11.155
   61    H    LEU   9           H        LEU   9  -5.906  -5.456   9.095
   62    HA   LEU   9           HA       LEU   9  -7.433  -6.989  10.955
   63    HG   LEU   9           HG       LEU   9  -9.375  -8.108   9.090
   64    HB2  LEU   9           2HB      LEU   9  -8.829  -5.642   9.822
   65    HB3  LEU   9           3HB      LEU   9  -7.840  -5.625   8.376
   66   HD11  LEU   9          1HD1      LEU   9 -11.249  -6.844   9.161
   67   HD12  LEU   9          2HD1      LEU   9 -10.519  -5.502   8.248
   68   HD13  LEU   9          3HD1      LEU   9 -11.104  -6.948   7.390
   69   HD21  LEU   9          3HD2      LEU   9  -7.642  -7.462   7.039
   70   HD22  LEU   9          1HD2      LEU   9  -8.811  -8.804   7.047
   71   HD23  LEU   9          2HD2      LEU   9  -9.248  -7.249   6.299
   72    H    MET  10           H        MET  10  -5.074  -7.672   8.510
   73    HA   MET  10           HA       MET  10  -6.133 -10.256   7.915
   74    HB2  MET  10           2HB      MET  10  -4.017  -8.448   6.955
   75    HB3  MET  10           3HB      MET  10  -3.391 -10.076   7.122
   76    HG2  MET  10           2HG      MET  10  -4.321 -10.487   5.081
   77    HG3  MET  10           3HG      MET  10  -5.862 -10.531   5.915
   78    HE1  MET  10           3HE      MET  10  -7.815  -8.755   4.248
   79    HE2  MET  10           1HE      MET  10  -6.764  -8.823   2.814
   80    HE3  MET  10           2HE      MET  10  -6.846 -10.212   3.924
  Start of MODEL    4
    1    HA   PCA   1           HA       PCA   1  -7.749   5.657   8.725
    2    H1   PCA   1           HN       PCA   1  -5.912   4.715  10.094
    3    HB2  PCA   1           3HB      PCA   1  -6.832   8.164   7.851
    4    HB3  PCA   1           2HB      PCA   1  -7.788   7.874   9.336
    5    HG2  PCA   1           3HG      PCA   1  -4.825   8.316   9.094
    6    HG3  PCA   1           2HG      PCA   1  -5.937   8.768  10.424
    7    H    ASN   2           H        ASN   2  -4.355   5.176   8.243
    8    HA   ASN   2           HA       ASN   2  -4.360   5.645   5.461
    9    HB2  ASN   2           2HB      ASN   2  -2.471   4.633   7.530
   10    HB3  ASN   2           3HB      ASN   2  -2.236   3.897   5.957
   11   HD21  ASN   2          1HD2      ASN   2  -0.759   4.858   4.811
   12   HD22  ASN   2          2HD2      ASN   2  -0.422   6.555   4.728
   13    HA   PRO   3           HA       PRO   3  -5.590   1.644   4.145
   14    HB2  PRO   3           2HB      PRO   3  -3.967   1.067   2.023
   15    HB3  PRO   3           3HB      PRO   3  -5.342   2.147   1.911
   16    HG2  PRO   3           2HG      PRO   3  -2.463   2.814   1.992
   17    HG3  PRO   3           3HG      PRO   3  -3.806   3.808   1.463
   18    HD2  PRO   3           2HD      PRO   3  -2.400   4.009   3.955
   19    HD3  PRO   3           3HD      PRO   3  -3.815   4.924   3.472
   20    H    ASN   4           H        ASN   4  -2.786   2.025   5.741
   21    HA   ASN   4           HA       ASN   4  -1.880  -0.659   5.395
   22    HB2  ASN   4           2HB      ASN   4  -0.950   1.820   6.751
   23    HB3  ASN   4           3HB      ASN   4  -0.586   0.364   7.657
   24   HD21  ASN   4          1HD2      ASN   4   1.182  -0.690   7.176
   25   HD22  ASN   4          2HD2      ASN   4   2.095  -0.591   5.707
   26    H    ARG   5           H        ARG   5  -4.584   0.497   6.772
   27    HA   ARG   5           HA       ARG   5  -4.305  -0.626   9.382
   28    HE   ARG   5           HE       ARG   5  -5.843   2.889  11.959
   29    HB2  ARG   5           2HB      ARG   5  -6.332   0.983   7.891
   30    HB3  ARG   5           3HB      ARG   5  -7.014  -0.132   9.060
   31    HG2  ARG   5           2HG      ARG   5  -5.623   0.823  10.857
   32    HG3  ARG   5           3HG      ARG   5  -4.781   1.848   9.712
   33    HD2  ARG   5           2HD      ARG   5  -6.768   3.164   9.275
   34    HD3  ARG   5           3HD      ARG   5  -7.804   2.001  10.077
   35   HH11  ARG   5          2HH2      ARG   5  -8.670   4.136  10.223
   36   HH12  ARG   5          1HH2      ARG   5  -9.057   5.304  11.442
   37   HH21  ARG   5          HH1       ARG   5  -7.682   5.459  13.398
   38    H    PHE   6           H        PHE   6  -5.260  -1.632   6.175
   39    HA   PHE   6           HA       PHE   6  -7.051  -3.688   6.984
   40    HD1  PHE   6           HD1      PHE   6  -9.021  -3.427   4.696
   41    HD2  PHE   6           HD2      PHE   6  -5.561  -5.732   3.850
   42    HE1  PHE   6           HE1      PHE   6 -10.463  -5.231   3.712
   43    HE2  PHE   6           HE2      PHE   6  -7.002  -7.536   2.866
   44    HZ   PHE   6           HZ       PHE   6  -9.436  -7.263   2.808
   45    HB2  PHE   6           2HB      PHE   6  -6.785  -2.414   4.710
   46    HB3  PHE   6           3HB      PHE   6  -5.363  -3.399   4.432
   47    H    ILE   7           H        ILE   7  -3.541  -3.365   6.554
   48    HA   ILE   7           HA       ILE   7  -2.970  -6.098   6.260
   49    HB   ILE   7           HB       ILE   7  -1.449  -3.636   6.992
   50   HG12  ILE   7          2HG1      ILE   7  -0.156  -5.096   4.991
   51   HG13  ILE   7          3HG1      ILE   7  -1.860  -5.333   4.658
   52   HG21  ILE   7          1HG2      ILE   7  -0.693  -6.395   7.731
   53   HG22  ILE   7          2HG2      ILE   7   0.553  -5.459   6.871
   54   HG23  ILE   7          3HG2      ILE   7  -0.146  -4.831   8.383
   55   HD11  ILE   7          3HD1      ILE   7  -1.307  -3.328   3.502
   56   HD12  ILE   7          1HD1      ILE   7  -2.111  -2.765   4.987
   57   HD13  ILE   7          2HD1      ILE   7  -0.337  -2.712   4.862
   58    H    GLY   8           H        GLY   8  -3.681  -4.014   9.054
   59    HA2  GLY   8           1HA      GLY   8  -2.745  -5.880  11.015
   60    HA3  GLY   8           2HA      GLY   8  -3.718  -4.445  11.276
   61    H    LEU   9           H        LEU   9  -5.701  -5.424   9.114
   62    HA   LEU   9           HA       LEU   9  -7.309  -6.943  10.958
   63    HG   LEU   9           HG       LEU   9  -7.704  -3.991   8.846
   64    HB2  LEU   9           2HB      LEU   9  -8.011  -6.130   8.145
   65    HB3  LEU   9           3HB      LEU   9  -9.095  -6.535   9.459
   66   HD11  LEU   9          1HD1      LEU   9  -9.982  -3.881   8.479
   67   HD12  LEU   9          2HD1      LEU   9 -10.371  -4.879   9.900
   68   HD13  LEU   9          3HD1      LEU   9  -9.837  -3.196  10.116
   69   HD21  LEU   9          3HD2      LEU   9  -8.088  -3.393  11.382
   70   HD22  LEU   9          1HD2      LEU   9  -7.803  -5.136  11.609
   71   HD23  LEU   9          2HD2      LEU   9  -6.563  -4.124  10.829
   72    H    MET  10           H        MET  10  -4.998  -7.581   8.486
   73    HA   MET  10           HA       MET  10  -6.187  -9.940   7.501
   74    HB2  MET  10           2HB      MET  10  -4.205  -8.327   6.618
   75    HB3  MET  10           3HB      MET  10  -3.190  -9.455   7.497
   76    HG2  MET  10           2HG      MET  10  -4.980 -11.104   6.046
   77    HG3  MET  10           3HG      MET  10  -4.569  -9.818   4.928
   78    HE1  MET  10           3HE      MET  10  -2.016 -11.466   7.814
   79    HE2  MET  10           1HE      MET  10  -3.486 -12.367   7.372
   80    HE3  MET  10           2HE      MET  10  -1.891 -12.946   6.833
  Start of MODEL    5
    1    HA   PCA   1           HA       PCA   1  -3.728   7.464  10.810
    2    H1   PCA   1           HN       PCA   1  -5.832   6.186  10.531
    3    HB2  PCA   1           3HB      PCA   1  -1.739   5.545  11.310
    4    HB3  PCA   1           2HB      PCA   1  -2.687   6.401  12.564
    5    HG2  PCA   1           3HG      PCA   1  -3.086   3.611  11.519
    6    HG3  PCA   1           2HG      PCA   1  -3.393   4.267  13.158
    7    H    ASN   2           H        ASN   2  -2.188   4.422   9.787
    8    HA   ASN   2           HA       ASN   2  -1.759   5.651   7.230
    9    HB2  ASN   2           2HB      ASN   2  -0.568   3.380   8.800
   10    HB3  ASN   2           3HB      ASN   2  -0.487   3.226   7.057
   11   HD21  ASN   2          1HD2      ASN   2   1.567   3.620   6.612
   12   HD22  ASN   2          2HD2      ASN   2   2.446   5.058   7.008
   13    HA   PRO   3           HA       PRO   3  -4.511   2.958   5.127
   14    HB2  PRO   3           2HB      PRO   3  -3.256   2.412   2.761
   15    HB3  PRO   3           3HB      PRO   3  -4.093   3.919   3.077
   16    HG2  PRO   3           2HG      PRO   3  -1.185   3.397   3.000
   17    HG3  PRO   3           3HG      PRO   3  -2.028   4.929   2.889
   18    HD2  PRO   3           2HD      PRO   3  -0.646   3.894   5.179
   19    HD3  PRO   3           3HD      PRO   3  -1.587   5.369   5.102
   20    H    ASN   4           H        ASN   4  -1.843   1.793   6.514
   21    HA   ASN   4           HA       ASN   4  -2.012  -0.821   5.378
   22    HB2  ASN   4           2HB      ASN   4  -0.203   0.668   7.161
   23    HB3  ASN   4           3HB      ASN   4  -0.520  -0.934   7.797
   24   HD21  ASN   4          1HD2      ASN   4   0.674  -2.527   7.091
   25   HD22  ASN   4          2HD2      ASN   4   1.588  -2.583   5.620
   26    H    ARG   5           H        ARG   5  -4.213   0.726   7.087
   27    HA   ARG   5           HA       ARG   5  -4.441  -0.629   9.492
   28    HE   ARG   5           HE       ARG   5  -4.927   4.132   9.112
   29    HB2  ARG   5           2HB      ARG   5  -6.369   0.908   7.720
   30    HB3  ARG   5           3HB      ARG   5  -6.982   0.078   9.135
   31    HG2  ARG   5           2HG      ARG   5  -5.526   1.349  10.617
   32    HG3  ARG   5           3HG      ARG   5  -4.632   2.017   9.266
   33    HD2  ARG   5           2HD      ARG   5  -7.447   2.603   8.880
   34    HD3  ARG   5           3HD      ARG   5  -7.002   3.070  10.510
   35   HH11  ARG   5          2HH2      ARG   5  -8.411   4.249   8.478
   36   HH12  ARG   5          1HH2      ARG   5  -8.338   5.779   7.671
   37   HH21  ARG   5          HH1       ARG   5  -6.222   6.880   7.429
   38    H    PHE   6           H        PHE   6  -5.324  -1.435   6.153
   39    HA   PHE   6           HA       PHE   6  -7.176  -3.480   6.842
   40    HD1  PHE   6           HD1      PHE   6  -8.607  -4.687   4.588
   41    HD2  PHE   6           HD2      PHE   6  -7.425  -0.629   4.196
   42    HE1  PHE   6           HE1      PHE   6 -10.957  -4.061   3.967
   43    HE2  PHE   6           HE2      PHE   6  -9.775  -0.005   3.574
   44    HZ   PHE   6           HZ       PHE   6 -11.513  -1.728   3.467
   45    HB2  PHE   6           2HB      PHE   6  -5.782  -2.286   4.467
   46    HB3  PHE   6           3HB      PHE   6  -6.179  -3.980   4.269
   47    H    ILE   7           H        ILE   7  -3.675  -3.224   6.602
   48    HA   ILE   7           HA       ILE   7  -3.244  -6.008   6.149
   49    HB   ILE   7           HB       ILE   7  -1.331  -3.905   7.164
   50   HG12  ILE   7          2HG1      ILE   7  -2.483  -3.234   5.053
   51   HG13  ILE   7          3HG1      ILE   7  -0.747  -3.418   4.903
   52   HG21  ILE   7          1HG2      ILE   7  -1.050  -6.696   6.812
   53   HG22  ILE   7          2HG2      ILE   7  -0.163  -5.915   5.481
   54   HG23  ILE   7          3HG2      ILE   7   0.214  -5.494   7.169
   55   HD11  ILE   7          3HD1      ILE   7  -0.909  -5.302   3.563
   56   HD12  ILE   7          1HD1      ILE   7  -2.419  -5.847   4.331
   57   HD13  ILE   7          2HD1      ILE   7  -2.454  -4.525   3.141
   58    H    GLY   8           H        GLY   8  -3.901  -3.926   8.907
   59    HA2  GLY   8           1HA      GLY   8  -2.794  -5.665  10.892
   60    HA3  GLY   8           2HA      GLY   8  -3.866  -4.301  11.139
   61    H    LEU   9           H        LEU   9  -5.867  -5.409   9.111
   62    HA   LEU   9           HA       LEU   9  -7.319  -6.985  11.006
   63    HG   LEU   9           HG       LEU   9  -9.276  -8.120   9.149
   64    HB2  LEU   9           2HB      LEU   9  -8.782  -5.656   9.944
   65    HB3  LEU   9           3HB      LEU   9  -7.831  -5.575   8.474
   66   HD11  LEU   9          1HD1      LEU   9 -11.307  -7.367   8.117
   67   HD12  LEU   9          2HD1      LEU   9 -10.901  -6.254   9.446
   68   HD13  LEU   9          3HD1      LEU   9 -10.595  -5.774   7.759
   69   HD21  LEU   9          3HD2      LEU   9  -8.922  -8.691   6.994
   70   HD22  LEU   9          1HD2      LEU   9  -9.144  -7.028   6.396
   71   HD23  LEU   9          2HD2      LEU   9  -7.597  -7.510   7.133
   72    H    MET  10           H        MET  10  -5.010  -7.587   8.501
   73    HA   MET  10           HA       MET  10  -6.035 -10.129   7.780
   74    HB2  MET  10           2HB      MET  10  -4.143  -8.310   6.775
   75    HB3  MET  10           3HB      MET  10  -3.130  -9.610   7.370
   76    HG2  MET  10           2HG      MET  10  -5.552 -10.309   5.696
   77    HG3  MET  10           3HG      MET  10  -4.126  -9.686   4.892
   78    HE1  MET  10           3HE      MET  10  -5.699 -12.997   6.436
   79    HE2  MET  10           1HE      MET  10  -5.724 -12.369   4.770
   80    HE3  MET  10           2HE      MET  10  -4.758 -13.812   5.163
  Start of MODEL    6
    1    HA   PCA   1           HA       PCA   1  -8.211   5.978   7.016
    2    H1   PCA   1           HN       PCA   1  -6.740   4.942   8.718
    3    HB2  PCA   1           3HB      PCA   1  -6.818   8.231   6.082
    4    HB3  PCA   1           2HB      PCA   1  -7.998   8.231   7.427
    5    HG2  PCA   1           3HG      PCA   1  -4.997   8.235   7.594
    6    HG3  PCA   1           2HG      PCA   1  -6.199   8.972   8.700
    7    H    ASN   2           H        ASN   2  -4.819   5.134   7.060
    8    HA   ASN   2           HA       ASN   2  -4.665   5.080   4.195
    9    HB2  ASN   2           2HB      ASN   2  -2.790   4.860   6.489
   10    HB3  ASN   2           3HB      ASN   2  -2.414   3.734   5.202
   11   HD21  ASN   2          1HD2      ASN   2  -0.590   5.557   5.686
   12   HD22  ASN   2          2HD2      ASN   2  -0.534   6.805   4.487
   13    HA   PRO   3           HA       PRO   3  -5.425   0.767   3.909
   14    HB2  PRO   3           2HB      PRO   3  -3.633  -0.153   2.063
   15    HB3  PRO   3           3HB      PRO   3  -5.094   0.713   1.630
   16    HG2  PRO   3           2HG      PRO   3  -2.300   1.677   1.634
   17    HG3  PRO   3           3HG      PRO   3  -3.695   2.358   0.821
   18    HD2  PRO   3           2HD      PRO   3  -2.464   3.330   3.223
   19    HD3  PRO   3           3HD      PRO   3  -3.927   3.940   2.475
   20    H    ASN   4           H        ASN   4  -2.776   1.833   5.454
   21    HA   ASN   4           HA       ASN   4  -1.407  -0.589   5.764
   22    HB2  ASN   4           2HB      ASN   4  -0.260   0.592   7.642
   23    HB3  ASN   4           3HB      ASN   4  -0.359   1.618   6.225
   24   HD21  ASN   4          1HD2      ASN   4  -0.467   1.778   9.377
   25   HD22  ASN   4          2HD2      ASN   4  -1.649   3.008   9.674
   26    H    ARG   5           H        ARG   5  -4.384   0.714   7.005
   27    HA   ARG   5           HA       ARG   5  -4.282  -0.666   9.485
   28    HE   ARG   5           HE       ARG   5  -9.192   1.836   7.381
   29    HB2  ARG   5           2HB      ARG   5  -6.639   0.133   9.727
   30    HB3  ARG   5           3HB      ARG   5  -5.563   1.438   9.272
   31    HG2  ARG   5           2HG      ARG   5  -7.090   1.850   7.621
   32    HG3  ARG   5           3HG      ARG   5  -6.312   0.521   6.784
   33    HD2  ARG   5           2HD      ARG   5  -8.234  -0.681   6.875
   34    HD3  ARG   5           3HD      ARG   5  -8.194  -0.636   8.626
   35   HH11  ARG   5          2HH2      ARG   5 -10.070  -1.330   8.708
   36   HH12  ARG   5          1HH2      ARG   5 -11.716  -0.885   9.010
   37   HH21  ARG   5          HH1       ARG   5 -12.456   1.326   8.456
   38    H    PHE   6           H        PHE   6  -5.168  -1.358   6.174
   39    HA   PHE   6           HA       PHE   6  -7.077  -3.386   6.752
   40    HD1  PHE   6           HD1      PHE   6  -8.371  -4.553   4.195
   41    HD2  PHE   6           HD2      PHE   6  -7.258  -0.463   4.384
   42    HE1  PHE   6           HE1      PHE   6 -10.690  -3.890   3.500
   43    HE2  PHE   6           HE2      PHE   6  -9.578   0.200   3.689
   44    HZ   PHE   6           HZ       PHE   6 -11.266  -1.522   3.256
   45    HB2  PHE   6           2HB      PHE   6  -5.582  -2.161   4.456
   46    HB3  PHE   6           3HB      PHE   6  -5.989  -3.848   4.206
   47    H    ILE   7           H        ILE   7  -3.567  -3.184   6.655
   48    HA   ILE   7           HA       ILE   7  -3.163  -5.965   6.155
   49    HB   ILE   7           HB       ILE   7  -1.389  -3.704   7.055
   50   HG12  ILE   7          2HG1      ILE   7  -1.109  -5.268   4.508
   51   HG13  ILE   7          3HG1      ILE   7  -2.359  -4.046   4.627
   52   HG21  ILE   7          1HG2      ILE   7   0.421  -5.533   6.403
   53   HG22  ILE   7          2HG2      ILE   7  -0.212  -5.378   8.059
   54   HG23  ILE   7          3HG2      ILE   7  -0.851  -6.638   6.977
   55   HD11  ILE   7          3HD1      ILE   7  -0.121  -2.764   5.722
   56   HD12  ILE   7          1HD1      ILE   7   0.552  -3.716   4.376
   57   HD13  ILE   7          2HD1      ILE   7  -0.750  -2.541   4.072
   58    H    GLY   8           H        GLY   8  -3.888  -3.931   8.932
   59    HA2  GLY   8           1HA      GLY   8  -2.891  -5.740  10.914
   60    HA3  GLY   8           2HA      GLY   8  -3.937  -4.355  11.154
   61    H    LEU   9           H        LEU   9  -5.905  -5.345   9.050
   62    HA   LEU   9           HA       LEU   9  -7.572  -6.765  10.809
   63    HG   LEU   9           HG       LEU   9  -9.435  -6.757   7.161
   64    HB2  LEU   9           2HB      LEU   9  -9.011  -5.872   9.407
   65    HB3  LEU   9           3HB      LEU   9  -7.734  -5.463   8.279
   66   HD11  LEU   9          1HD1      LEU   9  -7.926  -7.800   5.903
   67   HD12  LEU   9          2HD1      LEU   9  -6.717  -7.335   7.124
   68   HD13  LEU   9          3HD1      LEU   9  -7.501  -8.931   7.211
   69   HD21  LEU   9          3HD2      LEU   9  -9.493  -8.240   9.611
   70   HD22  LEU   9          1HD2      LEU   9 -10.613  -8.300   8.230
   71   HD23  LEU   9          2HD2      LEU   9  -9.179  -9.356   8.260
   72    H    MET  10           H        MET  10  -5.125  -7.721   8.445
   73    HA   MET  10           HA       MET  10  -6.074 -10.347   8.130
   74    HB2  MET  10           2HB      MET  10  -3.926  -8.660   7.172
   75    HB3  MET  10           3HB      MET  10  -3.190 -10.132   7.775
   76    HG2  MET  10           2HG      MET  10  -5.577 -10.167   5.873
   77    HG3  MET  10           3HG      MET  10  -3.921 -10.147   5.298
   78    HE1  MET  10           3HE      MET  10  -6.155 -13.616   5.509
   79    HE2  MET  10           1HE      MET  10  -6.263 -11.960   4.865
   80    HE3  MET  10           2HE      MET  10  -5.025 -13.077   4.244
  Start of MODEL    7
    1    HA   PCA   1           HA       PCA   1  -8.265   6.293   8.220
    2    H1   PCA   1           HN       PCA   1  -7.577   4.588   9.881
    3    HB2  PCA   1           3HB      PCA   1  -6.487   8.440   8.558
    4    HB3  PCA   1           2HB      PCA   1  -8.070   8.272   9.374
    5    HG2  PCA   1           3HG      PCA   1  -5.338   7.712  10.495
    6    HG3  PCA   1           2HG      PCA   1  -6.808   8.311  11.327
    7    H    ASN   2           H        ASN   2  -5.201   4.863   9.077
    8    HA   ASN   2           HA       ASN   2  -3.993   5.604   6.585
    9    HB2  ASN   2           2HB      ASN   2  -3.154   4.168   9.094
   10    HB3  ASN   2           3HB      ASN   2  -2.308   3.711   7.628
   11   HD21  ASN   2          1HD2      ASN   2  -2.230   5.689  10.212
   12   HD22  ASN   2          2HD2      ASN   2  -1.275   7.007   9.620
   13    HA   PRO   3           HA       PRO   3  -5.267   1.894   4.617
   14    HB2  PRO   3           2HB      PRO   3  -3.425   1.696   2.609
   15    HB3  PRO   3           3HB      PRO   3  -4.822   2.751   2.527
   16    HG2  PRO   3           2HG      PRO   3  -1.991   3.457   3.004
   17    HG3  PRO   3           3HG      PRO   3  -3.312   4.494   2.502
   18    HD2  PRO   3           2HD      PRO   3  -2.161   4.326   5.125
   19    HD3  PRO   3           3HD      PRO   3  -3.555   5.276   4.651
   20    H    ASN   4           H        ASN   4  -2.622   2.083   6.512
   21    HA   ASN   4           HA       ASN   4  -1.611  -0.503   5.851
   22    HB2  ASN   4           2HB      ASN   4  -0.972   1.639   7.900
   23    HB3  ASN   4           3HB      ASN   4  -0.367   0.018   8.178
   24   HD21  ASN   4          1HD2      ASN   4   1.085  -0.927   6.739
   25   HD22  ASN   4          2HD2      ASN   4   2.034  -0.003   5.622
   26    H    ARG   5           H        ARG   5  -4.456   0.385   7.138
   27    HA   ARG   5           HA       ARG   5  -4.363  -1.138   9.555
   28    HE   ARG   5           HE       ARG   5  -5.628   2.186  12.672
   29    HB2  ARG   5           2HB      ARG   5  -6.602   0.340   8.095
   30    HB3  ARG   5           3HB      ARG   5  -6.882  -0.561   9.571
   31    HG2  ARG   5           2HG      ARG   5  -4.880   1.729   9.285
   32    HG3  ARG   5           3HG      ARG   5  -6.478   1.881   9.989
   33    HD2  ARG   5           2HD      ARG   5  -5.101  -0.350  11.249
   34    HD3  ARG   5           3HD      ARG   5  -4.059   1.058  11.291
   35   HH11  ARG   5          2HH2      ARG   5  -6.942  -0.913  11.568
   36   HH12  ARG   5          1HH2      ARG   5  -8.260  -0.897  12.692
   37   HH21  ARG   5          HH1       ARG   5  -8.489   0.949  14.204
   38    H    PHE   6           H        PHE   6  -5.482  -1.421   6.174
   39    HA   PHE   6           HA       PHE   6  -7.206  -3.557   6.419
   40    HD1  PHE   6           HD2      PHE   6  -8.333  -4.599   4.197
   41    HD2  PHE   6           HD1      PHE   6  -6.944  -0.629   3.635
   42    HE1  PHE   6           HE2      PHE   6 -10.561  -3.956   3.236
   43    HE2  PHE   6           HE1      PHE   6  -9.172   0.014   2.675
   44    HZ   PHE   6           HZ       PHE   6 -10.954  -1.657   2.487
   45    HB2  PHE   6           2HB      PHE   6  -5.456  -2.224   4.390
   46    HB3  PHE   6           3HB      PHE   6  -5.778  -3.905   4.009
   47    H    ILE   7           H        ILE   7  -3.621  -3.452   6.294
   48    HA   ILE   7           HA       ILE   7  -3.392  -6.288   6.032
   49    HB   ILE   7           HB       ILE   7  -1.014  -5.882   6.311
   50   HG12  ILE   7          2HG1      ILE   7  -0.247  -3.462   6.507
   51   HG13  ILE   7          3HG1      ILE   7  -1.871  -3.073   7.037
   52   HG21  ILE   7          1HG2      ILE   7  -2.674  -4.894   4.253
   53   HG22  ILE   7          2HG2      ILE   7  -1.403  -3.676   4.512
   54   HG23  ILE   7          3HG2      ILE   7  -0.960  -5.362   4.157
   55   HD11  ILE   7          3HD1      ILE   7   0.216  -3.976   8.667
   56   HD12  ILE   7          1HD1      ILE   7  -1.506  -3.924   9.112
   57   HD13  ILE   7          2HD1      ILE   7  -0.802  -5.421   8.454
   58    H    GLY   8           H        GLY   8  -3.863  -3.980   8.631
   59    HA2  GLY   8           1HA      GLY   8  -2.778  -5.606  10.720
   60    HA3  GLY   8           2HA      GLY   8  -3.786  -4.182  10.882
   61    H    LEU   9           H        LEU   9  -5.879  -5.364   8.989
   62    HA   LEU   9           HA       LEU   9  -7.338  -6.733  11.039
   63    HG   LEU   9           HG       LEU   9  -9.517  -7.806   9.487
   64    HB2  LEU   9           2HB      LEU   9  -8.738  -5.364   9.914
   65    HB3  LEU   9           3HB      LEU   9  -7.880  -5.524   8.395
   66   HD11  LEU   9          1HD1      LEU   9 -11.005  -5.880   9.486
   67   HD12  LEU   9          2HD1      LEU   9 -10.553  -5.506   7.805
   68   HD13  LEU   9          3HD1      LEU   9 -11.435  -7.007   8.176
   69   HD21  LEU   9          3HD2      LEU   9  -8.321  -8.635   7.720
   70   HD22  LEU   9          1HD2      LEU   9  -9.772  -8.046   6.873
   71   HD23  LEU   9          2HD2      LEU   9  -8.280  -7.075   6.864
   72    H    MET  10           H        MET  10  -5.140  -7.601   8.515
   73    HA   MET  10           HA       MET  10  -6.302 -10.208   8.186
   74    HB2  MET  10           2HB      MET  10  -4.402  -8.472   6.792
   75    HB3  MET  10           3HB      MET  10  -3.666 -10.043   7.041
   76    HG2  MET  10           2HG      MET  10  -4.843 -10.783   5.241
   77    HG3  MET  10           3HG      MET  10  -6.292 -10.661   6.219
   78    HE1  MET  10           3HE      MET  10  -7.717 -10.205   3.901
   79    HE2  MET  10           1HE      MET  10  -8.186  -9.527   5.479
   80    HE3  MET  10           2HE      MET  10  -8.277  -8.519   4.014
  Start of MODEL    8
    1    HA   PCA   1           HA       PCA   1   0.212   1.640   1.105
    2    H1   PCA   1           HN       PCA   1   1.736   3.585   0.934
    3    HB2  PCA   1           3HB      PCA   1   0.662   0.548   3.653
    4    HB3  PCA   1           2HB      PCA   1   1.497   0.045   2.151
    5    HG2  PCA   1           3HG      PCA   1   2.521   1.848   4.327
    6    HG3  PCA   1           2HG      PCA   1   3.422   0.716   3.271
    7    H    ASN   2           H        ASN   2  -1.611   2.976   1.172
    8    HA   ASN   2           HA       ASN   2  -2.035   4.688   3.366
    9    HB2  ASN   2           2HB      ASN   2  -3.162   4.244   0.749
   10    HB3  ASN   2           3HB      ASN   2  -4.485   4.141   1.894
   11   HD21  ASN   2          1HD2      ASN   2  -3.759   6.162  -0.134
   12   HD22  ASN   2          2HD2      ASN   2  -3.685   7.687   0.684
   13    HA   PRO   3           HA       PRO   3  -5.262   1.296   4.329
   14    HB2  PRO   3           2HB      PRO   3  -5.229  -1.045   2.920
   15    HB3  PRO   3           3HB      PRO   3  -6.281   0.299   2.521
   16    HG2  PRO   3           2HG      PRO   3  -3.820  -0.601   1.152
   17    HG3  PRO   3           3HG      PRO   3  -5.094   0.441   0.548
   18    HD2  PRO   3           2HD      PRO   3  -2.502   1.255   1.467
   19    HD3  PRO   3           3HD      PRO   3  -3.817   2.303   0.974
   20    H    ASN   4           H        ASN   4  -2.721   1.710   5.329
   21    HA   ASN   4           HA       ASN   4  -1.403  -0.691   5.739
   22    HB2  ASN   4           2HB      ASN   4  -0.253   0.542   7.600
   23    HB3  ASN   4           3HB      ASN   4  -0.332   1.505   6.138
   24   HD21  ASN   4          1HD2      ASN   4  -0.760   1.528   9.389
   25   HD22  ASN   4          2HD2      ASN   4  -1.827   2.879   9.584
   26    H    ARG   5           H        ARG   5  -4.380   0.597   6.969
   27    HA   ARG   5           HA       ARG   5  -4.226  -0.733   9.484
   28    HE   ARG   5           HE       ARG   5  -5.602   3.242  11.742
   29    HB2  ARG   5           2HB      ARG   5  -6.393   0.822   8.014
   30    HB3  ARG   5           3HB      ARG   5  -6.762  -0.034   9.497
   31    HG2  ARG   5           2HG      ARG   5  -4.439   1.929   9.324
   32    HG3  ARG   5           3HG      ARG   5  -6.066   2.463   9.696
   33    HD2  ARG   5           2HD      ARG   5  -5.757   0.307  11.437
   34    HD3  ARG   5           3HD      ARG   5  -4.138   0.976  11.395
   35   HH11  ARG   5          2HH2      ARG   5  -5.797   0.107  13.381
   36   HH12  ARG   5          1HH2      ARG   5  -6.382   0.780  14.867
   37   HH21  ARG   5          HH1       ARG   5  -6.714   3.147  15.032
   38    H    PHE   6           H        PHE   6  -5.199  -1.448   6.198
   39    HA   PHE   6           HA       PHE   6  -7.108  -3.452   6.829
   40    HD1  PHE   6           HD2      PHE   6  -6.716  -5.711   4.559
   41    HD2  PHE   6           HD1      PHE   6  -8.538  -1.972   3.719
   42    HE1  PHE   6           HE2      PHE   6  -8.682  -6.898   3.545
   43    HE2  PHE   6           HE1      PHE   6 -10.505  -3.158   2.706
   44    HZ   PHE   6           HZ       PHE   6 -10.553  -5.607   2.630
   45    HB2  PHE   6           2HB      PHE   6  -6.425  -1.985   4.631
   46    HB3  PHE   6           3HB      PHE   6  -5.415  -3.379   4.303
   47    H    ILE   7           H        ILE   7  -3.596  -3.294   6.687
   48    HA   ILE   7           HA       ILE   7  -3.230  -6.087   6.227
   49    HB   ILE   7           HB       ILE   7  -1.418  -3.837   7.081
   50   HG12  ILE   7          2HG1      ILE   7  -1.217  -5.433   4.542
   51   HG13  ILE   7          3HG1      ILE   7  -2.416  -4.162   4.673
   52   HG21  ILE   7          1HG2      ILE   7  -0.939  -6.772   7.078
   53   HG22  ILE   7          2HG2      ILE   7   0.337  -5.736   6.392
   54   HG23  ILE   7          3HG2      ILE   7  -0.210  -5.484   8.066
   55   HD11  ILE   7          3HD1      ILE   7  -0.737  -2.760   4.035
   56   HD12  ILE   7          1HD1      ILE   7  -0.154  -2.921   5.709
   57   HD13  ILE   7          2HD1      ILE   7   0.522  -3.955   4.428
   58    H    GLY   8           H        GLY   8  -3.903  -4.002   8.980
   59    HA2  GLY   8           1HA      GLY   8  -2.905  -5.785  10.982
   60    HA3  GLY   8           2HA      GLY   8  -3.942  -4.392  11.209
   61    H    LEU   9           H        LEU   9  -5.918  -5.428   9.119
   62    HA   LEU   9           HA       LEU   9  -7.468  -6.971  10.961
   63    HG   LEU   9           HG       LEU   9  -9.371  -8.052   8.991
   64    HB2  LEU   9           2HB      LEU   9  -8.877  -5.615   9.872
   65    HB3  LEU   9           3HB      LEU   9  -7.866  -5.512   8.444
   66   HD11  LEU   9          1HD1      LEU   9 -10.943  -6.441   7.256
   67   HD12  LEU   9          2HD1      LEU   9 -11.375  -7.120   8.843
   68   HD13  LEU   9          3HD1      LEU   9 -10.636  -5.504   8.739
   69   HD21  LEU   9          3HD2      LEU   9  -9.069  -6.826   6.291
   70   HD22  LEU   9          1HD2      LEU   9  -7.612  -7.479   7.077
   71   HD23  LEU   9          2HD2      LEU   9  -9.019  -8.533   6.795
   72    H    MET  10           H        MET  10  -5.098  -7.631   8.535
   73    HA   MET  10           HA       MET  10  -6.175 -10.124   7.737
   74    HB2  MET  10           2HB      MET  10  -3.965  -8.372   7.060
   75    HB3  MET  10           3HB      MET  10  -3.296  -9.961   7.375
   76    HG2  MET  10           2HG      MET  10  -5.738  -9.653   5.592
   77    HG3  MET  10           3HG      MET  10  -4.130  -9.395   4.944
   78    HE1  MET  10           3HE      MET  10  -6.544 -12.472   6.417
   79    HE2  MET  10           1HE      MET  10  -6.763 -11.367   5.040
   80    HE3  MET  10           2HE      MET  10  -6.231 -13.043   4.762
  Start of MODEL    9
    1    HA   PCA   1           HA       PCA   1   0.666   3.031   2.167
    2    H1   PCA   1           HN       PCA   1   2.204   4.947   2.478
    3    HB2  PCA   1           3HB      PCA   1   1.182   1.290   4.309
    4    HB3  PCA   1           2HB      PCA   1   1.965   1.210   2.702
    5    HG2  PCA   1           3HG      PCA   1   3.074   2.357   5.250
    6    HG3  PCA   1           2HG      PCA   1   3.930   1.550   3.899
    7    H    ASN   2           H        ASN   2  -0.962   4.614   2.672
    8    HA   ASN   2           HA       ASN   2  -1.348   5.395   5.352
    9    HB2  ASN   2           2HB      ASN   2  -2.261   6.215   2.783
   10    HB3  ASN   2           3HB      ASN   2  -3.712   5.714   3.627
   11   HD21  ASN   2          1HD2      ASN   2  -1.399   8.125   3.189
   12   HD22  ASN   2          2HD2      ASN   2  -1.839   9.203   4.471
   13    HA   PRO   3           HA       PRO   3  -4.972   2.318   4.840
   14    HB2  PRO   3           2HB      PRO   3  -5.087   0.716   2.629
   15    HB3  PRO   3           3HB      PRO   3  -5.962   2.229   2.762
   16    HG2  PRO   3           2HG      PRO   3  -3.521   1.630   1.207
   17    HG3  PRO   3           3HG      PRO   3  -4.634   2.973   1.030
   18    HD2  PRO   3           2HD      PRO   3  -2.041   3.045   2.252
   19    HD3  PRO   3           3HD      PRO   3  -3.201   4.355   2.178
   20    H    ASN   4           H        ASN   4  -2.476   2.000   5.979
   21    HA   ASN   4           HA       ASN   4  -1.749  -0.713   5.477
   22    HB2  ASN   4           2HB      ASN   4  -0.193   1.289   6.170
   23    HB3  ASN   4           3HB      ASN   4  -0.786   1.020   7.798
   24   HD21  ASN   4          1HD2      ASN   4   1.844   0.624   6.307
   25   HD22  ASN   4          2HD2      ASN   4   2.372  -0.969   6.737
   26    H    ARG   5           H        ARG   5  -4.389   0.536   6.895
   27    HA   ARG   5           HA       ARG   5  -4.225  -0.750   9.436
   28    HE   ARG   5           HE       ARG   5  -4.319   3.171  11.944
   29    HB2  ARG   5           2HB      ARG   5  -5.986   1.181   8.093
   30    HB3  ARG   5           3HB      ARG   5  -6.929  -0.052   8.906
   31    HG2  ARG   5           2HG      ARG   5  -6.628   1.293  10.744
   32    HG3  ARG   5           3HG      ARG   5  -5.095   0.453  10.863
   33    HD2  ARG   5           2HD      ARG   5  -4.406   2.427   9.085
   34    HD3  ARG   5           3HD      ARG   5  -5.658   3.260   9.984
   35   HH11  ARG   5          2HH2      ARG   5  -2.817   1.320   9.322
   36   HH12  ARG   5          1HH2      ARG   5  -1.291   1.178  10.130
   37   HH21  ARG   5          HH1       ARG   5  -1.014   2.164  12.296
   38    H    PHE   6           H        PHE   6  -5.211  -1.502   6.163
   39    HA   PHE   6           HA       PHE   6  -7.126  -3.491   6.831
   40    HD1  PHE   6           HD1      PHE   6  -7.061  -5.715   4.658
   41    HD2  PHE   6           HD2      PHE   6  -8.457  -1.823   3.703
   42    HE1  PHE   6           HE1      PHE   6  -9.170  -6.702   3.720
   43    HE2  PHE   6           HE2      PHE   6 -10.566  -2.810   2.766
   44    HZ   PHE   6           HZ       PHE   6 -10.897  -5.237   2.785
   45    HB2  PHE   6           2HB      PHE   6  -6.351  -2.044   4.601
   46    HB3  PHE   6           3HB      PHE   6  -5.507  -3.544   4.278
   47    H    ILE   7           H        ILE   7  -3.615  -3.343   6.653
   48    HA   ILE   7           HA       ILE   7  -3.261  -6.141   6.216
   49    HB   ILE   7           HB       ILE   7  -1.459  -3.859   6.982
   50   HG12  ILE   7          2HG1      ILE   7  -0.759  -5.382   4.622
   51   HG13  ILE   7          3HG1      ILE   7  -2.429  -4.858   4.530
   52   HG21  ILE   7          1HG2      ILE   7  -0.147  -5.355   8.019
   53   HG22  ILE   7          2HG2      ILE   7  -0.982  -6.749   7.295
   54   HG23  ILE   7          3HG2      ILE   7   0.267  -5.881   6.370
   55   HD11  ILE   7          3HD1      ILE   7  -0.419  -3.264   3.754
   56   HD12  ILE   7          1HD1      ILE   7  -1.878  -2.598   4.527
   57   HD13  ILE   7          2HD1      ILE   7  -0.399  -2.850   5.485
   58    H    GLY   8           H        GLY   8  -3.902  -4.029   8.957
   59    HA2  GLY   8           1HA      GLY   8  -2.888  -5.797  10.965
   60    HA3  GLY   8           2HA      GLY   8  -3.920  -4.399  11.189
   61    H    LEU   9           H        LEU   9  -5.918  -5.448   9.128
   62    HA   LEU   9           HA       LEU   9  -7.447  -6.982  11.002
   63    HG   LEU   9           HG       LEU   9  -9.532  -7.963   9.146
   64    HB2  LEU   9           2HB      LEU   9  -8.870  -5.617   9.943
   65    HB3  LEU   9           3HB      LEU   9  -7.886  -5.514   8.497
   66   HD11  LEU   9          1HD1      LEU   9 -11.039  -6.037   9.107
   67   HD12  LEU   9          2HD1      LEU   9 -10.398  -5.557   7.518
   68   HD13  LEU   9          3HD1      LEU   9 -11.291  -7.087   7.693
   69   HD21  LEU   9          3HD2      LEU   9  -7.588  -7.478   7.214
   70   HD22  LEU   9          1HD2      LEU   9  -8.778  -8.801   7.228
   71   HD23  LEU   9          2HD2      LEU   9  -9.132  -7.296   6.346
   72    H    MET  10           H        MET  10  -5.121  -7.642   8.533
   73    HA   MET  10           HA       MET  10  -6.240 -10.201   7.896
   74    HB2  MET  10           2HB      MET  10  -4.663  -8.452   6.515
   75    HB3  MET  10           3HB      MET  10  -3.395  -9.434   7.218
   76    HG2  MET  10           2HG      MET  10  -5.702 -10.891   5.943
   77    HG3  MET  10           3HG      MET  10  -4.584 -10.074   4.869
   78    HE1  MET  10           3HE      MET  10  -5.611 -12.919   5.725
   79    HE2  MET  10           1HE      MET  10  -4.244 -14.021   5.440
   80    HE3  MET  10           2HE      MET  10  -4.725 -13.611   7.104
  Start of MODEL   10
    1    HA   PCA   1           HA       PCA   1  -3.959   7.282   1.246
    2    H1   PCA   1           HN       PCA   1  -5.104   6.662  -0.860
    3    HB2  PCA   1           3HB      PCA   1  -5.495   6.146   3.305
    4    HB3  PCA   1           2HB      PCA   1  -5.693   7.805   2.663
    5    HG2  PCA   1           3HG      PCA   1  -7.344   5.369   2.048
    6    HG3  PCA   1           2HG      PCA   1  -7.838   7.090   2.119
    7    H    ASN   2           H        ASN   2  -3.033   5.744   3.123
    8    HA   ASN   2           HA       ASN   2  -2.255   3.378   1.697
    9    HB2  ASN   2           2HB      ASN   2  -0.682   4.993   3.022
   10    HB3  ASN   2           3HB      ASN   2  -1.323   4.247   4.473
   11   HD21  ASN   2          1HD2      ASN   2   1.271   4.250   2.697
   12   HD22  ASN   2          2HD2      ASN   2   1.780   2.595   2.721
   13    HA   PRO   3           HA       PRO   3  -5.192   1.196   4.225
   14    HB2  PRO   3           2HB      PRO   3  -5.115  -1.176   2.869
   15    HB3  PRO   3           3HB      PRO   3  -6.163   0.154   2.417
   16    HG2  PRO   3           2HG      PRO   3  -3.668  -0.763   1.124
   17    HG3  PRO   3           3HG      PRO   3  -4.933   0.258   0.469
   18    HD2  PRO   3           2HD      PRO   3  -2.367   1.108   1.428
   19    HD3  PRO   3           3HD      PRO   3  -3.675   2.138   0.881
   20    H    ASN   4           H        ASN   4  -2.676   1.648   5.272
   21    HA   ASN   4           HA       ASN   4  -1.360  -0.742   5.767
   22    HB2  ASN   4           2HB      ASN   4  -0.318   0.565   7.694
   23    HB3  ASN   4           3HB      ASN   4  -0.229   1.387   6.149
   24   HD21  ASN   4          1HD2      ASN   4  -1.090   1.625   9.355
   25   HD22  ASN   4          2HD2      ASN   4  -2.055   3.062   9.321
   26    H    ARG   5           H        ARG   5  -4.360   0.574   6.905
   27    HA   ARG   5           HA       ARG   5  -4.254  -0.701   9.453
   28    HE   ARG   5           HE       ARG   5  -9.584   0.584   9.055
   29    HB2  ARG   5           2HB      ARG   5  -6.571   0.158   9.706
   30    HB3  ARG   5           3HB      ARG   5  -5.506   1.427   9.136
   31    HG2  ARG   5           2HG      ARG   5  -6.286   1.114   6.820
   32    HG3  ARG   5           3HG      ARG   5  -7.237  -0.282   7.288
   33    HD2  ARG   5           2HD      ARG   5  -7.840   2.151   8.886
   34    HD3  ARG   5           3HD      ARG   5  -8.179   2.335   7.176
   35   HH11  ARG   5          2HH2      ARG   5  -8.833   1.130   5.636
   36   HH12  ARG   5          1HH2      ARG   5 -10.211   0.249   5.065
   37   HH21  ARG   5          HH1       ARG   5 -11.707  -0.747   6.650
   38    H    PHE   6           H        PHE   6  -5.179  -1.472   6.165
   39    HA   PHE   6           HA       PHE   6  -7.107  -3.457   6.812
   40    HD1  PHE   6           HD1      PHE   6  -5.820  -5.688   4.238
   41    HD2  PHE   6           HD2      PHE   6  -8.805  -2.695   3.866
   42    HE1  PHE   6           HE1      PHE   6  -7.339  -7.342   3.119
   43    HE2  PHE   6           HE2      PHE   6 -10.325  -4.349   2.746
   44    HZ   PHE   6           HZ       PHE   6  -9.573  -6.653   2.385
   45    HB2  PHE   6           2HB      PHE   6  -6.686  -2.087   4.617
   46    HB3  PHE   6           3HB      PHE   6  -5.320  -3.148   4.331
   47    H    ILE   7           H        ILE   7  -3.593  -3.312   6.694
   48    HA   ILE   7           HA       ILE   7  -3.233  -6.112   6.281
   49    HB   ILE   7           HB       ILE   7  -1.432  -3.841   7.089
   50   HG12  ILE   7          2HG1      ILE   7  -1.152  -5.533   4.627
   51   HG13  ILE   7          3HG1      ILE   7  -2.395  -4.299   4.676
   52   HG21  ILE   7          1HG2      ILE   7   0.453  -5.296   7.093
   53   HG22  ILE   7          2HG2      ILE   7  -0.752  -5.986   8.208
   54   HG23  ILE   7          3HG2      ILE   7  -0.536  -6.687   6.586
   55   HD11  ILE   7          3HD1      ILE   7   0.023  -3.688   3.805
   56   HD12  ILE   7          1HD1      ILE   7  -0.847  -2.539   4.851
   57   HD13  ILE   7          2HD1      ILE   7   0.416  -3.587   5.538
   58    H    GLY   8           H        GLY   8  -3.921  -3.982   8.995
   59    HA2  GLY   8           1HA      GLY   8  -2.942  -5.737  11.033
   60    HA3  GLY   8           2HA      GLY   8  -3.978  -4.337  11.230
   61    H    LEU   9           H        LEU   9  -5.940  -5.400   9.142
   62    HA   LEU   9           HA       LEU   9  -7.499  -6.924  10.999
   63    HG   LEU   9           HG       LEU   9  -9.502  -7.937   8.959
   64    HB2  LEU   9           2HB      LEU   9  -8.960  -5.643   9.920
   65    HB3  LEU   9           3HB      LEU   9  -7.901  -5.405   8.546
   66   HD11  LEU   9          1HD1      LEU   9 -10.763  -6.606   6.922
   67   HD12  LEU   9          2HD1      LEU   9 -11.327  -6.691   8.608
   68   HD13  LEU   9          3HD1      LEU   9 -10.384  -5.287   8.055
   69   HD21  LEU   9          3HD2      LEU   9  -7.413  -7.332   7.213
   70   HD22  LEU   9          1HD2      LEU   9  -8.555  -8.693   7.095
   71   HD23  LEU   9          2HD2      LEU   9  -8.887  -7.174   6.227
   72    H    MET  10           H        MET  10  -5.122  -7.603   8.592
   73    HA   MET  10           HA       MET  10  -6.214 -10.102   7.811
   74    HB2  MET  10           2HB      MET  10  -4.186  -8.344   6.925
   75    HB3  MET  10           3HB      MET  10  -3.284  -9.731   7.502
   76    HG2  MET  10           2HG      MET  10  -5.657 -10.478   5.885
   77    HG3  MET  10           3HG      MET  10  -4.493  -9.518   4.995
   78    HE1  MET  10           3HE      MET  10  -5.257 -12.324   7.199
   79    HE2  MET  10           1HE      MET  10  -4.235 -13.675   6.652
   80    HE3  MET  10           2HE      MET  10  -3.627 -12.540   7.881
  Start of MODEL   11
    1    HA   PCA   1           HA       PCA   1  -5.401   7.114   1.862
    2    H1   PCA   1           HN       PCA   1  -6.692   6.117  -0.002
    3    HB2  PCA   1           3HB      PCA   1  -6.336   5.852   4.190
    4    HB3  PCA   1           2HB      PCA   1  -6.975   7.382   3.518
    5    HG2  PCA   1           3HG      PCA   1  -8.145   4.624   3.285
    6    HG3  PCA   1           2HG      PCA   1  -8.977   6.209   3.361
    7    H    ASN   2           H        ASN   2  -3.933   5.917   3.667
    8    HA   ASN   2           HA       ASN   2  -2.601   3.939   2.214
    9    HB2  ASN   2           2HB      ASN   2  -2.196   5.507   4.641
   10    HB3  ASN   2           3HB      ASN   2  -1.785   3.835   4.969
   11   HD21  ASN   2          1HD2      ASN   2  -0.283   6.456   4.481
   12   HD22  ASN   2          2HD2      ASN   2   0.975   6.048   3.363
   13    HA   PRO   3           HA       PRO   3  -5.113   0.681   3.899
   14    HB2  PRO   3           2HB      PRO   3  -4.238  -1.316   2.251
   15    HB3  PRO   3           3HB      PRO   3  -5.544  -0.227   1.827
   16    HG2  PRO   3           2HG      PRO   3  -2.758  -0.252   0.840
   17    HG3  PRO   3           3HG      PRO   3  -4.163   0.525   0.140
   18    HD2  PRO   3           2HD      PRO   3  -2.056   1.795   1.614
   19    HD3  PRO   3           3HD      PRO   3  -3.519   2.552   1.013
   20    H    ASN   4           H        ASN   4  -2.958   1.544   5.395
   21    HA   ASN   4           HA       ASN   4  -1.319  -0.753   5.793
   22    HB2  ASN   4           2HB      ASN   4  -1.486   2.051   6.857
   23    HB3  ASN   4           3HB      ASN   4  -0.789   0.873   7.950
   24   HD21  ASN   4          1HD2      ASN   4   1.312   1.178   7.904
   25   HD22  ASN   4          2HD2      ASN   4   2.324   1.242   6.499
   26    H    ARG   5           H        ARG   5  -4.358   0.554   6.933
   27    HA   ARG   5           HA       ARG   5  -4.227  -0.737   9.469
   28    HE   ARG   5           HE       ARG   5  -7.530   3.612   8.653
   29    HB2  ARG   5           2HB      ARG   5  -6.682   0.020   9.582
   30    HB3  ARG   5           3HB      ARG   5  -5.504   1.305   9.399
   31    HG2  ARG   5           2HG      ARG   5  -6.291   0.299   6.772
   32    HG3  ARG   5           3HG      ARG   5  -7.717   0.727   7.696
   33    HD2  ARG   5           2HD      ARG   5  -5.491   2.704   7.882
   34    HD3  ARG   5           3HD      ARG   5  -6.173   2.529   6.278
   35   HH11  ARG   5          2HH2      ARG   5  -7.958   2.283   5.396
   36   HH12  ARG   5          1HH2      ARG   5  -9.521   2.998   5.176
   37   HH21  ARG   5          HH1       ARG   5 -10.460   4.330   6.933
   38    H    PHE   6           H        PHE   6  -5.182  -1.493   6.188
   39    HA   PHE   6           HA       PHE   6  -7.108  -3.476   6.833
   40    HD1  PHE   6           HD1      PHE   6  -7.035  -5.695   4.520
   41    HD2  PHE   6           HD2      PHE   6  -8.410  -1.737   3.846
   42    HE1  PHE   6           HE1      PHE   6  -9.172  -6.600   3.566
   43    HE2  PHE   6           HE2      PHE   6 -10.548  -2.642   2.892
   44    HZ   PHE   6           HZ       PHE   6 -10.903  -5.063   2.764
   45    HB2  PHE   6           2HB      PHE   6  -6.247  -2.047   4.605
   46    HB3  PHE   6           3HB      PHE   6  -5.463  -3.586   4.308
   47    H    ILE   7           H        ILE   7  -3.594  -3.343   6.718
   48    HA   ILE   7           HA       ILE   7  -3.242  -6.144   6.304
   49    HB   ILE   7           HB       ILE   7  -1.434  -3.881   7.117
   50   HG12  ILE   7          2HG1      ILE   7  -1.151  -5.568   4.653
   51   HG13  ILE   7          3HG1      ILE   7  -2.399  -4.338   4.701
   52   HG21  ILE   7          1HG2      ILE   7  -0.759  -6.819   6.852
   53   HG22  ILE   7          2HG2      ILE   7   0.445  -5.509   6.830
   54   HG23  ILE   7          3HG2      ILE   7  -0.554  -5.773   8.278
   55   HD11  ILE   7          3HD1      ILE   7   0.603  -3.959   5.019
   56   HD12  ILE   7          1HD1      ILE   7  -0.471  -3.250   3.789
   57   HD13  ILE   7          2HD1      ILE   7  -0.563  -2.695   5.478
   58    H    GLY   8           H        GLY   8  -3.925  -4.014   9.021
   59    HA2  GLY   8           1HA      GLY   8  -2.955  -5.775  11.057
   60    HA3  GLY   8           2HA      GLY   8  -3.984  -4.371  11.254
   61    H    LEU   9           H        LEU   9  -5.949  -5.424   9.162
   62    HA   LEU   9           HA       LEU   9  -7.500  -6.968  11.020
   63    HG   LEU   9           HG       LEU   9  -9.440  -7.988   9.040
   64    HB2  LEU   9           2HB      LEU   9  -8.922  -5.584   9.989
   65    HB3  LEU   9           3HB      LEU   9  -7.929  -5.439   8.553
   66   HD11  LEU   9          1HD1      LEU   9 -10.717  -5.472   8.957
   67   HD12  LEU   9          2HD1      LEU   9 -10.970  -6.224   7.363
   68   HD13  LEU   9          3HD1      LEU   9 -11.456  -7.088   8.842
   69   HD21  LEU   9          3HD2      LEU   9  -7.852  -7.968   7.217
   70   HD22  LEU   9          1HD2      LEU   9  -9.510  -8.016   6.570
   71   HD23  LEU   9          2HD2      LEU   9  -8.590  -6.493   6.545
   72    H    MET  10           H        MET  10  -5.163  -7.596   8.561
   73    HA   MET  10           HA       MET  10  -6.298 -10.167   7.934
   74    HB2  MET  10           2HB      MET  10  -4.388  -8.294   6.761
   75    HB3  MET  10           3HB      MET  10  -3.615  -9.860   6.915
   76    HG2  MET  10           2HG      MET  10  -6.351  -9.434   5.617
   77    HG3  MET  10           3HG      MET  10  -4.848  -9.528   4.721
   78    HE1  MET  10           3HE      MET  10  -7.264 -12.344   4.286
   79    HE2  MET  10           1HE      MET  10  -7.641 -12.489   6.019
   80    HE3  MET  10           2HE      MET  10  -7.666 -10.893   5.233
  Start of MODEL   12
    1    HA   PCA   1           HA       PCA   1  -4.874   7.284   1.220
    2    H1   PCA   1           HN       PCA   1  -6.952   6.251   0.355
    3    HB2  PCA   1           3HB      PCA   1  -4.936   6.894   4.001
    4    HB3  PCA   1           2HB      PCA   1  -5.562   8.336   3.147
    5    HG2  PCA   1           3HG      PCA   1  -7.117   6.006   4.236
    6    HG3  PCA   1           2HG      PCA   1  -7.598   7.725   4.090
    7    H    ASN   2           H        ASN   2  -3.267   6.083   3.223
    8    HA   ASN   2           HA       ASN   2  -2.583   3.740   1.867
    9    HB2  ASN   2           2HB      ASN   2  -1.597   5.307   4.206
   10    HB3  ASN   2           3HB      ASN   2  -1.242   3.594   4.308
   11   HD21  ASN   2          1HD2      ASN   2   0.623   3.030   3.519
   12   HD22  ASN   2          2HD2      ASN   2   1.475   3.753   2.195
   13    HA   PRO   3           HA       PRO   3  -5.364   1.252   4.283
   14    HB2  PRO   3           2HB      PRO   3  -5.157  -1.035   2.801
   15    HB3  PRO   3           3HB      PRO   3  -6.284   0.253   2.424
   16    HG2  PRO   3           2HG      PRO   3  -3.747  -0.443   1.076
   17    HG3  PRO   3           3HG      PRO   3  -5.073   0.535   0.482
   18    HD2  PRO   3           2HD      PRO   3  -2.556   1.481   1.478
   19    HD3  PRO   3           3HD      PRO   3  -3.926   2.460   0.992
   20    H    ASN   4           H        ASN   4  -2.873   1.794   5.346
   21    HA   ASN   4           HA       ASN   4  -1.449  -0.571   5.718
   22    HB2  ASN   4           2HB      ASN   4  -1.293   2.193   6.552
   23    HB3  ASN   4           3HB      ASN   4  -1.131   1.206   7.990
   24   HD21  ASN   4          1HD2      ASN   4   0.017   1.526   4.649
   25   HD22  ASN   4          2HD2      ASN   4   1.638   0.976   4.912
   26    H    ARG   5           H        ARG   5  -4.451   0.645   6.974
   27    HA   ARG   5           HA       ARG   5  -4.246  -0.696   9.479
   28    HE   ARG   5           HE       ARG   5  -4.187   3.140  11.361
   29    HB2  ARG   5           2HB      ARG   5  -6.258   1.036   8.074
   30    HB3  ARG   5           3HB      ARG   5  -6.907  -0.081   9.258
   31    HG2  ARG   5           2HG      ARG   5  -6.348   1.448  10.843
   32    HG3  ARG   5           3HG      ARG   5  -4.678   0.990  10.575
   33    HD2  ARG   5           2HD      ARG   5  -4.876   2.726   8.533
   34    HD3  ARG   5           3HD      ARG   5  -6.188   3.374   9.496
   35   HH11  ARG   5          2HH2      ARG   5  -4.262   4.599   8.133
   36   HH12  ARG   5          1HH2      ARG   5  -3.051   5.781   8.504
   37   HH21  ARG   5          HH1       ARG   5  -2.083   5.822  10.696
   38    H    PHE   6           H        PHE   6  -5.234  -1.409   6.198
   39    HA   PHE   6           HA       PHE   6  -7.098  -3.455   6.836
   40    HD1  PHE   6           HD2      PHE   6  -5.572  -5.553   4.263
   41    HD2  PHE   6           HD1      PHE   6  -8.842  -2.887   3.806
   42    HE1  PHE   6           HE2      PHE   6  -6.871  -7.350   3.088
   43    HE2  PHE   6           HE1      PHE   6 -10.142  -4.685   2.630
   44    HZ   PHE   6           HZ       PHE   6  -9.142  -6.894   2.286
   45    HB2  PHE   6           2HB      PHE   6  -6.852  -2.074   4.670
   46    HB3  PHE   6           3HB      PHE   6  -5.363  -2.939   4.346
   47    H    ILE   7           H        ILE   7  -3.591  -3.225   6.657
   48    HA   ILE   7           HA       ILE   7  -3.175  -6.005   6.173
   49    HB   ILE   7           HB       ILE   7  -1.375  -3.757   7.070
   50   HG12  ILE   7          2HG1      ILE   7  -1.045  -5.133   4.459
   51   HG13  ILE   7          3HG1      ILE   7  -2.479  -4.138   4.627
   52   HG21  ILE   7          1HG2      ILE   7  -0.926  -6.646   7.089
   53   HG22  ILE   7          2HG2      ILE   7   0.259  -5.760   6.100
   54   HG23  ILE   7          3HG2      ILE   7   0.027  -5.327   7.810
   55   HD11  ILE   7          3HD1      ILE   7  -1.083  -2.425   4.041
   56   HD12  ILE   7          1HD1      ILE   7  -0.572  -2.486   5.744
   57   HD13  ILE   7          2HD1      ILE   7   0.377  -3.333   4.499
   58    H    GLY   8           H        GLY   8  -3.858  -3.956   8.948
   59    HA2  GLY   8           1HA      GLY   8  -2.803  -5.734  10.926
   60    HA3  GLY   8           2HA      GLY   8  -3.865  -4.363  11.174
   61    H    LEU   9           H        LEU   9  -5.842  -5.422   9.098
   62    HA   LEU   9           HA       LEU   9  -7.373  -6.965  10.940
   63    HG   LEU   9           HG       LEU   9  -9.208  -8.160   8.992
   64    HB2  LEU   9           2HB      LEU   9  -8.778  -5.664   9.775
   65    HB3  LEU   9           3HB      LEU   9  -7.754  -5.618   8.354
   66   HD11  LEU   9          1HD1      LEU   9 -11.147  -7.015   9.110
   67   HD12  LEU   9          2HD1      LEU   9 -10.482  -5.579   8.294
   68   HD13  LEU   9          3HD1      LEU   9 -10.993  -6.990   7.337
   69   HD21  LEU   9          3HD2      LEU   9  -9.365  -8.105   6.424
   70   HD22  LEU   9          1HD2      LEU   9  -8.171  -6.789   6.517
   71   HD23  LEU   9          2HD2      LEU   9  -7.774  -8.398   7.167
   72    H    MET  10           H        MET  10  -4.985  -7.645   8.511
   73    HA   MET  10           HA       MET  10  -5.978 -10.179   7.786
   74    HB2  MET  10           2HB      MET  10  -3.854  -8.410   7.049
   75    HB3  MET  10           3HB      MET  10  -3.057  -9.877   7.581
   76    HG2  MET  10           2HG      MET  10  -3.492 -10.729   5.515
   77    HG3  MET  10           3HG      MET  10  -5.168 -10.852   6.013
   78    HE1  MET  10           3HE      MET  10  -5.848 -10.897   3.863
   79    HE2  MET  10           1HE      MET  10  -7.010  -9.567   4.083
   80    HE3  MET  10           2HE      MET  10  -5.924  -9.574   2.674
  Start of MODEL   13
    1    HA   PCA   1           HA       PCA   1  -4.497   7.623   2.019
    2    H1   PCA   1           HN       PCA   1  -6.080   6.907   0.253
    3    HB2  PCA   1           3HB      PCA   1  -5.499   6.551   4.413
    4    HB3  PCA   1           2HB      PCA   1  -5.873   8.180   3.776
    5    HG2  PCA   1           3HG      PCA   1  -7.569   5.703   3.641
    6    HG3  PCA   1           2HG      PCA   1  -8.070   7.418   3.762
    7    H    ASN   2           H        ASN   2  -3.098   6.192   3.642
    8    HA   ASN   2           HA       ASN   2  -2.354   3.959   2.139
    9    HB2  ASN   2           2HB      ASN   2  -1.518   5.235   4.739
   10    HB3  ASN   2           3HB      ASN   2  -1.033   3.567   4.498
   11   HD21  ASN   2          1HD2      ASN   2   1.029   3.608   3.997
   12   HD22  ASN   2          2HD2      ASN   2   1.778   4.545   2.748
   13    HA   PRO   3           HA       PRO   3  -5.233   1.297   4.233
   14    HB2  PRO   3           2HB      PRO   3  -4.960  -0.868   2.589
   15    HB3  PRO   3           3HB      PRO   3  -6.072   0.448   2.265
   16    HG2  PRO   3           2HG      PRO   3  -3.479  -0.147   0.976
   17    HG3  PRO   3           3HG      PRO   3  -4.779   0.877   0.403
   18    HD2  PRO   3           2HD      PRO   3  -2.308   1.738   1.576
   19    HD3  PRO   3           3HD      PRO   3  -3.657   2.755   1.110
   20    H    ASN   4           H        ASN   4  -2.791   1.749   5.441
   21    HA   ASN   4           HA       ASN   4  -1.455  -0.709   5.706
   22    HB2  ASN   4           2HB      ASN   4  -1.294   2.031   6.859
   23    HB3  ASN   4           3HB      ASN   4  -0.802   0.780   7.982
   24   HD21  ASN   4          1HD2      ASN   4   0.780  -0.804   7.246
   25   HD22  ASN   4          2HD2      ASN   4   2.038  -0.323   6.155
   26    H    ARG   5           H        ARG   5  -4.387   0.640   6.965
   27    HA   ARG   5           HA       ARG   5  -4.271  -0.686   9.473
   28    HE   ARG   5           HE       ARG   5  -8.572   2.583   8.175
   29    HB2  ARG   5           2HB      ARG   5  -6.698   0.073   9.626
   30    HB3  ARG   5           3HB      ARG   5  -5.555   1.372   9.344
   31    HG2  ARG   5           2HG      ARG   5  -6.362   0.297   6.778
   32    HG3  ARG   5           3HG      ARG   5  -7.804   0.606   7.723
   33    HD2  ARG   5           2HD      ARG   5  -5.838   2.794   7.966
   34    HD3  ARG   5           3HD      ARG   5  -6.313   2.521   6.301
   35   HH11  ARG   5          2HH2      ARG   5  -6.482   4.526   6.074
   36   HH12  ARG   5          1HH2      ARG   5  -7.627   5.816   5.920
   37   HH21  ARG   5          HH1       ARG   5  -9.737   5.655   7.045
   38    H    PHE   6           H        PHE   6  -5.205  -1.441   6.185
   39    HA   PHE   6           HA       PHE   6  -7.107  -3.453   6.830
   40    HD1  PHE   6           HD2      PHE   6  -8.553  -4.584   4.674
   41    HD2  PHE   6           HD1      PHE   6  -7.188  -0.614   4.053
   42    HE1  PHE   6           HE2      PHE   6 -10.869  -3.891   4.002
   43    HE2  PHE   6           HE1      PHE   6  -9.505   0.078   3.381
   44    HZ   PHE   6           HZ       PHE   6 -11.318  -1.569   3.364
   45    HB2  PHE   6           2HB      PHE   6  -5.628  -2.291   4.486
   46    HB3  PHE   6           3HB      PHE   6  -6.071  -3.975   4.280
   47    H    ILE   7           H        ILE   7  -3.594  -3.265   6.654
   48    HA   ILE   7           HA       ILE   7  -3.212  -6.059   6.220
   49    HB   ILE   7           HB       ILE   7  -1.276  -3.988   7.257
   50   HG12  ILE   7          2HG1      ILE   7  -2.384  -3.320   5.117
   51   HG13  ILE   7          3HG1      ILE   7  -0.646  -3.518   5.009
   52   HG21  ILE   7          1HG2      ILE   7  -0.212  -6.119   5.590
   53   HG22  ILE   7          2HG2      ILE   7   0.300  -5.556   7.199
   54   HG23  ILE   7          3HG2      ILE   7  -1.012  -6.750   7.049
   55   HD11  ILE   7          3HD1      ILE   7  -2.349  -4.634   3.227
   56   HD12  ILE   7          1HD1      ILE   7  -0.793  -5.387   3.656
   57   HD13  ILE   7          2HD1      ILE   7  -2.297  -5.952   4.422
   58    H    GLY   8           H        GLY   8  -3.888  -3.958   8.955
   59    HA2  GLY   8           1HA      GLY   8  -2.843  -5.701  10.969
   60    HA3  GLY   8           2HA      GLY   8  -3.902  -4.323  11.188
   61    H    LEU   9           H        LEU   9  -5.879  -5.410   9.130
   62    HA   LEU   9           HA       LEU   9  -7.381  -6.969  11.003
   63    HG   LEU   9           HG       LEU   9  -9.290  -8.087   9.057
   64    HB2  LEU   9           2HB      LEU   9  -8.829  -5.640   9.932
   65    HB3  LEU   9           3HB      LEU   9  -7.840  -5.521   8.491
   66   HD11  LEU   9          1HD1      LEU   9 -11.270  -7.069   9.099
   67   HD12  LEU   9          2HD1      LEU   9 -10.567  -5.501   8.636
   68   HD13  LEU   9          3HD1      LEU   9 -10.999  -6.688   7.381
   69   HD21  LEU   9          3HD2      LEU   9  -7.634  -7.897   7.206
   70   HD22  LEU   9          1HD2      LEU   9  -9.275  -8.329   6.669
   71   HD23  LEU   9          2HD2      LEU   9  -8.677  -6.667   6.454
   72    H    MET  10           H        MET  10  -5.042  -7.594   8.535
   73    HA   MET  10           HA       MET  10  -6.105 -10.196   7.953
   74    HB2  MET  10           2HB      MET  10  -4.625  -8.410   6.501
   75    HB3  MET  10           3HB      MET  10  -3.311  -9.360   7.166
   76    HG2  MET  10           2HG      MET  10  -3.945 -11.308   6.024
   77    HG3  MET  10           3HG      MET  10  -5.638 -10.861   5.972
   78    HE1  MET  10           3HE      MET  10  -5.586  -7.764   3.902
   79    HE2  MET  10           1HE      MET  10  -6.488  -9.165   3.278
   80    HE3  MET  10           2HE      MET  10  -6.430  -8.853   5.029
  Start of MODEL   14
    1    HA   PCA   1           HA       PCA   1  -5.375   6.545   0.568
    2    H1   PCA   1           HN       PCA   1  -6.943   6.157   2.447
    3    HB2  PCA   1           3HB      PCA   1  -2.968   7.378   1.751
    4    HB3  PCA   1           2HB      PCA   1  -4.270   8.466   1.183
    5    HG2  PCA   1           3HG      PCA   1  -3.677   7.598   3.998
    6    HG3  PCA   1           2HG      PCA   1  -4.357   9.146   3.405
    7    H    ASN   2           H        ASN   2  -2.871   5.907   3.015
    8    HA   ASN   2           HA       ASN   2  -2.237   3.499   1.750
    9    HB2  ASN   2           2HB      ASN   2  -1.355   4.181   4.579
   10    HB3  ASN   2           3HB      ASN   2  -0.438   3.374   3.323
   11   HD21  ASN   2          1HD2      ASN   2   0.370   4.564   1.556
   12   HD22  ASN   2          2HD2      ASN   2   0.660   6.269   1.653
   13    HA   PRO   3           HA       PRO   3  -5.178   1.191   4.155
   14    HB2  PRO   3           2HB      PRO   3  -5.016  -1.145   2.747
   15    HB3  PRO   3           3HB      PRO   3  -6.082   0.170   2.299
   16    HG2  PRO   3           2HG      PRO   3  -3.535  -0.659   1.048
   17    HG3  PRO   3           3HG      PRO   3  -4.807   0.348   0.386
   18    HD2  PRO   3           2HD      PRO   3  -2.285   1.231   1.427
   19    HD3  PRO   3           3HD      PRO   3  -3.602   2.245   0.873
   20    H    ASN   4           H        ASN   4  -2.700   1.673   5.274
   21    HA   ASN   4           HA       ASN   4  -1.366  -0.720   5.754
   22    HB2  ASN   4           2HB      ASN   4  -1.082   2.032   6.449
   23    HB3  ASN   4           3HB      ASN   4  -1.161   1.184   7.980
   24   HD21  ASN   4          1HD2      ASN   4   0.443   1.289   4.839
   25   HD22  ASN   4          2HD2      ASN   4   1.951   0.589   5.322
   26    H    ARG   5           H        ARG   5  -4.351   0.657   6.923
   27    HA   ARG   5           HA       ARG   5  -4.280  -0.646   9.445
   28    HE   ARG   5           HE       ARG   5  -9.075   1.962   5.995
   29    HB2  ARG   5           2HB      ARG   5  -6.513   0.278   9.756
   30    HB3  ARG   5           3HB      ARG   5  -5.541   1.508   8.974
   31    HG2  ARG   5           2HG      ARG   5  -6.463   0.511   6.726
   32    HG3  ARG   5           3HG      ARG   5  -7.668  -0.272   7.730
   33    HD2  ARG   5           2HD      ARG   5  -8.019   2.153   8.748
   34    HD3  ARG   5           3HD      ARG   5  -7.222   2.697   7.285
   35   HH11  ARG   5          2HH2      ARG   5  -9.444   0.973   9.378
   36   HH12  ARG   5          1HH2      ARG   5 -11.111   0.538   9.198
   37   HH21  ARG   5          HH1       ARG   5 -12.166   0.790   7.060
   38    H    PHE   6           H        PHE   6  -5.160  -1.434   6.152
   39    HA   PHE   6           HA       PHE   6  -7.089  -3.425   6.786
   40    HD1  PHE   6           HD1      PHE   6  -8.942  -3.460   4.750
   41    HD2  PHE   6           HD2      PHE   6  -5.311  -5.061   3.247
   42    HE1  PHE   6           HE1      PHE   6 -10.225  -5.273   3.581
   43    HE2  PHE   6           HE2      PHE   6  -6.594  -6.873   2.078
   44    HZ   PHE   6           HZ       PHE   6  -9.036  -6.958   2.258
   45    HB2  PHE   6           2HB      PHE   6  -6.772  -2.104   4.598
   46    HB3  PHE   6           3HB      PHE   6  -5.282  -2.988   4.333
   47    H    ILE   7           H        ILE   7  -3.575  -3.259   6.694
   48    HA   ILE   7           HA       ILE   7  -3.196  -6.059   6.285
   49    HB   ILE   7           HB       ILE   7  -1.466  -3.716   6.974
   50   HG12  ILE   7          2HG1      ILE   7  -0.901  -5.681   4.798
   51   HG13  ILE   7          3HG1      ILE   7  -2.288  -4.630   4.597
   52   HG21  ILE   7          1HG2      ILE   7  -0.274  -5.101   8.314
   53   HG22  ILE   7          2HG2      ILE   7  -0.884  -6.578   7.529
   54   HG23  ILE   7          3HG2      ILE   7   0.401  -5.622   6.751
   55   HD11  ILE   7          3HD1      ILE   7  -0.971  -2.837   4.152
   56   HD12  ILE   7          1HD1      ILE   7   0.020  -3.127   5.602
   57   HD13  ILE   7          2HD1      ILE   7   0.399  -3.971   4.081
   58    H    GLY   8           H        GLY   8  -3.914  -3.931   8.994
   59    HA2  GLY   8           1HA      GLY   8  -2.940  -5.679  11.039
   60    HA3  GLY   8           2HA      GLY   8  -3.984  -4.285  11.227
   61    H    LEU   9           H        LEU   9  -5.927  -5.359   9.126
   62    HA   LEU   9           HA       LEU   9  -7.527  -6.837  10.964
   63    HG   LEU   9           HG       LEU   9  -9.560  -7.898   9.074
   64    HB2  LEU   9           2HB      LEU   9  -8.893  -5.548   9.747
   65    HB3  LEU   9           3HB      LEU   9  -7.827  -5.520   8.356
   66   HD11  LEU   9          1HD1      LEU   9 -10.896  -6.996   7.018
   67   HD12  LEU   9          2HD1      LEU   9 -11.191  -6.326   8.641
   68   HD13  LEU   9          3HD1      LEU   9 -10.182  -5.433   7.480
   69   HD21  LEU   9          3HD2      LEU   9  -8.555  -8.961   7.408
   70   HD22  LEU   9          1HD2      LEU   9  -8.913  -7.628   6.284
   71   HD23  LEU   9          2HD2      LEU   9  -7.423  -7.595   7.258
   72    H    MET  10           H        MET  10  -5.100  -7.604   8.601
   73    HA   MET  10           HA       MET  10  -6.139 -10.174   7.994
   74    HB2  MET  10           2HB      MET  10  -4.079  -8.416   7.053
   75    HB3  MET  10           3HB      MET  10  -3.249  -9.869   7.576
   76    HG2  MET  10           2HG      MET  10  -3.857 -10.851   5.621
   77    HG3  MET  10           3HG      MET  10  -5.521 -10.817   6.170
   78    HE1  MET  10           3HE      MET  10  -7.307  -8.607   4.078
   79    HE2  MET  10           1HE      MET  10  -6.695 -10.157   3.451
   80    HE3  MET  10           2HE      MET  10  -7.147 -10.005   5.166
  Start of MODEL   15
    1    HA   PCA   1           HA       PCA   1   1.972   3.162   3.581
    2    H1   PCA   1           HN       PCA   1   0.690   1.127   2.988
    3    HB2  PCA   1           3HB      PCA   1   0.781   5.254   2.133
    4    HB3  PCA   1           2HB      PCA   1   2.169   4.272   1.575
    5    HG2  PCA   1           3HG      PCA   1  -0.721   4.013   0.790
    6    HG3  PCA   1           2HG      PCA   1   0.754   3.684  -0.174
    7    H    ASN   2           H        ASN   2  -1.032   4.858   2.704
    8    HA   ASN   2           HA       ASN   2  -1.443   5.527   5.386
    9    HB2  ASN   2           2HB      ASN   2  -2.419   6.345   2.824
   10    HB3  ASN   2           3HB      ASN   2  -3.839   5.864   3.733
   11   HD21  ASN   2          1HD2      ASN   2  -1.015   7.944   3.666
   12   HD22  ASN   2          2HD2      ASN   2  -1.569   9.142   4.788
   13    HA   PRO   3           HA       PRO   3  -5.041   2.422   4.871
   14    HB2  PRO   3           2HB      PRO   3  -5.168   0.851   2.639
   15    HB3  PRO   3           3HB      PRO   3  -6.056   2.353   2.805
   16    HG2  PRO   3           2HG      PRO   3  -3.628   1.801   1.211
   17    HG3  PRO   3           3HG      PRO   3  -4.757   3.134   1.068
   18    HD2  PRO   3           2HD      PRO   3  -2.149   3.214   2.261
   19    HD3  PRO   3           3HD      PRO   3  -3.323   4.515   2.219
   20    H    ASN   4           H        ASN   4  -2.530   2.112   5.977
   21    HA   ASN   4           HA       ASN   4  -1.782  -0.587   5.427
   22    HB2  ASN   4           2HB      ASN   4  -0.061  -0.174   7.212
   23    HB3  ASN   4           3HB      ASN   4  -0.040   1.076   5.985
   24   HD21  ASN   4          1HD2      ASN   4   1.111   2.090   7.875
   25   HD22  ASN   4          2HD2      ASN   4   0.171   3.044   8.974
   26    H    ARG   5           H        ARG   5  -4.417   0.617   6.894
   27    HA   ARG   5           HA       ARG   5  -4.211  -0.701   9.415
   28    HE   ARG   5           HE       ARG   5  -3.265   3.020  10.851
   29    HB2  ARG   5           2HB      ARG   5  -5.979   1.248   8.138
   30    HB3  ARG   5           3HB      ARG   5  -6.934  -0.020   8.879
   31    HG2  ARG   5           2HG      ARG   5  -6.643   1.068  10.852
   32    HG3  ARG   5           3HG      ARG   5  -4.986   0.498  10.821
   33    HD2  ARG   5           2HD      ARG   5  -4.816   2.696   9.147
   34    HD3  ARG   5           3HD      ARG   5  -6.058   3.223  10.265
   35   HH11  ARG   5          2HH2      ARG   5  -6.397   2.305  12.348
   36   HH12  ARG   5          1HH2      ARG   5  -5.804   2.488  13.965
   37   HH21  ARG   5          HH1       ARG   5  -3.501   3.050  14.316
   38    H    PHE   6           H        PHE   6  -5.204  -1.435   6.145
   39    HA   PHE   6           HA       PHE   6  -7.105  -3.441   6.792
   40    HD1  PHE   6           HD1      PHE   6  -7.573  -0.720   5.283
   41    HD2  PHE   6           HD2      PHE   6  -8.143  -4.460   3.360
   42    HE1  PHE   6           HE1      PHE   6  -9.885  -0.019   4.605
   43    HE2  PHE   6           HE2      PHE   6 -10.455  -3.757   2.681
   44    HZ   PHE   6           HZ       PHE   6 -11.299  -1.546   3.312
   45    HB2  PHE   6           2HB      PHE   6  -5.614  -2.294   4.449
   46    HB3  PHE   6           3HB      PHE   6  -6.065  -3.974   4.245
   47    H    ILE   7           H        ILE   7  -3.591  -3.276   6.626
   48    HA   ILE   7           HA       ILE   7  -3.219  -6.069   6.190
   49    HB   ILE   7           HB       ILE   7  -1.398  -3.832   7.065
   50   HG12  ILE   7          2HG1      ILE   7  -1.105  -5.309   4.490
   51   HG13  ILE   7          3HG1      ILE   7  -2.459  -4.206   4.630
   52   HG21  ILE   7          1HG2      ILE   7   0.455  -5.462   6.575
   53   HG22  ILE   7          2HG2      ILE   7  -0.475  -5.787   8.057
   54   HG23  ILE   7          3HG2      ILE   7  -0.770  -6.754   6.592
   55   HD11  ILE   7          3HD1      ILE   7  -0.365  -2.726   5.731
   56   HD12  ILE   7          1HD1      ILE   7   0.421  -3.616   4.404
   57   HD13  ILE   7          2HD1      ILE   7  -0.980  -2.571   4.068
   58    H    GLY   8           H        GLY   8  -3.890  -3.971   8.935
   59    HA2  GLY   8           1HA      GLY   8  -2.889  -5.746  10.943
   60    HA3  GLY   8           2HA      GLY   8  -3.924  -4.351  11.165
   61    H    LEU   9           H        LEU   9  -5.904  -5.394   9.083
   62    HA   LEU   9           HA       LEU   9  -7.506  -6.849  10.922
   63    HG   LEU   9           HG       LEU   9  -9.494  -7.974   9.109
   64    HB2  LEU   9           2HB      LEU   9  -8.825  -5.548   9.645
   65    HB3  LEU   9           3HB      LEU   9  -7.777  -5.645   8.243
   66   HD11  LEU   9          1HD1      LEU   9 -11.117  -7.201   7.351
   67   HD12  LEU   9          2HD1      LEU   9 -11.064  -6.207   8.827
   68   HD13  LEU   9          3HD1      LEU   9 -10.261  -5.640   7.342
   69   HD21  LEU   9          3HD2      LEU   9  -7.641  -7.429   6.920
   70   HD22  LEU   9          1HD2      LEU   9  -8.304  -8.971   7.509
   71   HD23  LEU   9          2HD2      LEU   9  -9.235  -7.985   6.356
   72    H    MET  10           H        MET  10  -5.093  -7.675   8.544
   73    HA   MET  10           HA       MET  10  -6.135 -10.344   8.259
   74    HB2  MET  10           2HB      MET  10  -4.516  -8.583   6.710
   75    HB3  MET  10           3HB      MET  10  -3.419  -9.853   7.214
   76    HG2  MET  10           2HG      MET  10  -4.289 -10.806   5.265
   77    HG3  MET  10           3HG      MET  10  -5.389 -11.475   6.453
   78    HE1  MET  10           3HE      MET  10  -4.601  -8.481   4.313
   79    HE2  MET  10           1HE      MET  10  -6.169  -7.847   3.759
   80    HE3  MET  10           2HE      MET  10  -5.614  -7.521   5.419
  Start of MODEL   16
    1    HA   PCA   1           HA       PCA   1   1.084   2.179   3.063
    2    H1   PCA   1           HN       PCA   1  -0.386   2.453   1.088
    3    HB2  PCA   1           3HB      PCA   1   2.134   4.732   3.584
    4    HB3  PCA   1           2HB      PCA   1   2.907   3.487   2.556
    5    HG2  PCA   1           3HG      PCA   1   1.332   5.894   1.685
    6    HG3  PCA   1           2HG      PCA   1   2.709   5.082   0.876
    7    H    ASN   2           H        ASN   2  -1.416   4.487   2.241
    8    HA   ASN   2           HA       ASN   2  -1.828   5.411   4.870
    9    HB2  ASN   2           2HB      ASN   2  -2.817   5.996   2.260
   10    HB3  ASN   2           3HB      ASN   2  -4.224   5.483   3.171
   11   HD21  ASN   2          1HD2      ASN   2  -4.298   6.390   5.475
   12   HD22  ASN   2          2HD2      ASN   2  -3.990   8.084   5.654
   13    HA   PRO   3           HA       PRO   3  -5.265   2.099   4.601
   14    HB2  PRO   3           2HB      PRO   3  -5.303   0.351   2.500
   15    HB3  PRO   3           3HB      PRO   3  -6.265   1.815   2.547
   16    HG2  PRO   3           2HG      PRO   3  -3.806   1.262   1.003
   17    HG3  PRO   3           3HG      PRO   3  -5.000   2.522   0.753
   18    HD2  PRO   3           2HD      PRO   3  -2.404   2.827   1.936
   19    HD3  PRO   3           3HD      PRO   3  -3.642   4.059   1.792
   20    H    ASN   4           H        ASN   4  -2.745   2.003   5.728
   21    HA   ASN   4           HA       ASN   4  -1.860  -0.689   5.393
   22    HB2  ASN   4           2HB      ASN   4  -0.128  -0.066   7.056
   23    HB3  ASN   4           3HB      ASN   4  -0.252   1.182   5.831
   24   HD21  ASN   4          1HD2      ASN   4   0.523   1.051   8.772
   25   HD22  ASN   4          2HD2      ASN   4  -0.334   2.353   9.526
   26    H    ARG   5           H        ARG   5  -4.557   0.493   6.761
   27    HA   ARG   5           HA       ARG   5  -4.293  -0.623   9.374
   28    HE   ARG   5           HE       ARG   5  -7.615   2.149  11.566
   29    HB2  ARG   5           2HB      ARG   5  -6.255   1.046   7.896
   30    HB3  ARG   5           3HB      ARG   5  -7.015  -0.109   8.973
   31    HG2  ARG   5           2HG      ARG   5  -6.068   0.838  10.899
   32    HG3  ARG   5           3HG      ARG   5  -4.679   1.472  10.040
   33    HD2  ARG   5           2HD      ARG   5  -5.753   3.484  10.097
   34    HD3  ARG   5           3HD      ARG   5  -6.772   2.846   8.823
   35   HH11  ARG   5          2HH2      ARG   5  -7.998   4.376   8.837
   36   HH12  ARG   5          1HH2      ARG   5  -9.548   4.947   9.359
   37   HH21  ARG   5          HH1       ARG   5 -10.505   4.066  11.372
   38    H    PHE   6           H        PHE   6  -5.250  -1.632   6.170
   39    HA   PHE   6           HA       PHE   6  -7.058  -3.672   6.980
   40    HD1  PHE   6           HD1      PHE   6  -8.787  -2.802   5.888
   41    HD2  PHE   6           HD2      PHE   6  -6.829  -5.086   2.895
   42    HE1  PHE   6           HE1      PHE   6 -11.007  -3.654   5.085
   43    HE2  PHE   6           HE2      PHE   6  -9.050  -5.940   2.093
   44    HZ   PHE   6           HZ       PHE   6 -11.112  -5.213   3.198
   45    HB2  PHE   6           2HB      PHE   6  -6.235  -2.332   4.636
   46    HB3  PHE   6           3HB      PHE   6  -5.542  -3.926   4.414
   47    H    ILE   7           H        ILE   7  -3.545  -3.378   6.556
   48    HA   ILE   7           HA       ILE   7  -2.996  -6.117   6.273
   49    HB   ILE   7           HB       ILE   7  -1.318  -3.834   7.317
   50   HG12  ILE   7          2HG1      ILE   7  -2.102  -3.453   5.049
   51   HG13  ILE   7          3HG1      ILE   7  -0.382  -3.783   5.057
   52   HG21  ILE   7          1HG2      ILE   7   0.292  -5.276   7.799
   53   HG22  ILE   7          2HG2      ILE   7  -0.801  -6.625   7.408
   54   HG23  ILE   7          3HG2      ILE   7   0.235  -5.924   6.142
   55   HD11  ILE   7          3HD1      ILE   7  -1.379  -5.051   3.239
   56   HD12  ILE   7          1HD1      ILE   7  -0.902  -6.206   4.506
   57   HD13  ILE   7          2HD1      ILE   7  -2.609  -5.736   4.329
   58    H    GLY   8           H        GLY   8  -3.695  -4.016   9.059
   59    HA2  GLY   8           1HA      GLY   8  -2.777  -5.883  11.028
   60    HA3  GLY   8           2HA      GLY   8  -3.739  -4.439  11.283
   61    H    LEU   9           H        LEU   9  -5.727  -5.412   9.120
   62    HA   LEU   9           HA       LEU   9  -7.350  -6.909  10.966
   63    HG   LEU   9           HG       LEU   9  -7.718  -3.964   8.841
   64    HB2  LEU   9           2HB      LEU   9  -8.036  -6.103   8.146
   65    HB3  LEU   9           3HB      LEU   9  -9.129  -6.496   9.460
   66   HD11  LEU   9          1HD1      LEU   9 -10.100  -4.160   8.482
   67   HD12  LEU   9          2HD1      LEU   9 -10.351  -4.652  10.175
   68   HD13  LEU   9          3HD1      LEU   9  -9.788  -3.006   9.801
   69   HD21  LEU   9          3HD2      LEU   9  -6.584  -4.100  10.829
   70   HD22  LEU   9          1HD2      LEU   9  -8.105  -3.353  11.372
   71   HD23  LEU   9          2HD2      LEU   9  -7.836  -5.096  11.609
   72    H    MET  10           H        MET  10  -5.040  -7.577   8.500
   73    HA   MET  10           HA       MET  10  -6.285 -10.076   7.800
   74    HB2  MET  10           2HB      MET  10  -4.400  -8.246   6.615
   75    HB3  MET  10           3HB      MET  10  -3.536  -9.753   6.853
   76    HG2  MET  10           2HG      MET  10  -4.559  -9.895   4.669
   77    HG3  MET  10           3HG      MET  10  -5.481 -10.958   5.712
   78    HE1  MET  10           3HE      MET  10  -6.767  -6.743   4.363
   79    HE2  MET  10           1HE      MET  10  -5.238  -7.117   5.195
   80    HE3  MET  10           2HE      MET  10  -5.520  -7.712   3.541
  Start of MODEL   17
    1    HA   PCA   1           HA       PCA   1  -4.625   7.698   2.653
    2    H1   PCA   1           HN       PCA   1  -4.982   7.580   0.205
    3    HB2  PCA   1           3HB      PCA   1  -6.472   5.904   3.774
    4    HB3  PCA   1           2HB      PCA   1  -6.760   7.650   3.507
    5    HG2  PCA   1           3HG      PCA   1  -7.711   5.338   1.839
    6    HG3  PCA   1           2HG      PCA   1  -8.496   6.920   2.143
    7    H    ASN   2           H        ASN   2  -3.571   6.099   4.135
    8    HA   ASN   2           HA       ASN   2  -2.413   4.029   2.519
    9    HB2  ASN   2           2HB      ASN   2  -1.790   5.331   5.182
   10    HB3  ASN   2           3HB      ASN   2  -1.122   3.741   4.871
   11   HD21  ASN   2          1HD2      ASN   2  -0.124   6.651   5.000
   12   HD22  ASN   2          2HD2      ASN   2   0.915   6.818   3.625
   13    HA   PRO   3           HA       PRO   3  -5.218   1.234   4.544
   14    HB2  PRO   3           2HB      PRO   3  -4.758  -0.932   2.943
   15    HB3  PRO   3           3HB      PRO   3  -5.930   0.311   2.559
   16    HG2  PRO   3           2HG      PRO   3  -3.260  -0.148   1.376
   17    HG3  PRO   3           3HG      PRO   3  -4.596   0.792   0.739
   18    HD2  PRO   3           2HD      PRO   3  -2.225   1.810   1.990
   19    HD3  PRO   3           3HD      PRO   3  -3.611   2.740   1.459
   20    H    ASN   4           H        ASN   4  -2.853   1.843   5.834
   21    HA   ASN   4           HA       ASN   4  -1.301  -0.438   6.166
   22    HB2  ASN   4           2HB      ASN   4  -0.504   0.753   8.264
   23    HB3  ASN   4           3HB      ASN   4  -0.451   1.760   6.831
   24   HD21  ASN   4          1HD2      ASN   4  -1.361   1.602   9.992
   25   HD22  ASN   4          2HD2      ASN   4  -2.525   2.882  10.071
   26    H    ARG   5           H        ARG   5  -4.491   0.428   7.209
   27    HA   ARG   5           HA       ARG   5  -4.384  -1.129   9.605
   28    HE   ARG   5           HE       ARG   5  -9.423   0.338   9.818
   29    HB2  ARG   5           2HB      ARG   5  -6.783  -0.498   9.826
   30    HB3  ARG   5           3HB      ARG   5  -5.792   0.912   9.513
   31    HG2  ARG   5           2HG      ARG   5  -6.401   0.863   7.117
   32    HG3  ARG   5           3HG      ARG   5  -7.301  -0.623   7.347
   33    HD2  ARG   5           2HD      ARG   5  -7.974   1.916   8.895
   34    HD3  ARG   5           3HD      ARG   5  -8.664   1.583   7.320
   35   HH11  ARG   5          2HH2      ARG   5  -9.105  -0.334   6.354
   36   HH12  ARG   5          1HH2      ARG   5 -10.298  -1.591   6.361
   37   HH21  ARG   5          HH1       ARG   5 -11.396  -2.154   8.415
   38    H    PHE   6           H        PHE   6  -5.491  -1.378   6.219
   39    HA   PHE   6           HA       PHE   6  -7.190  -3.538   6.431
   40    HD1  PHE   6           HD2      PHE   6  -8.703  -2.263   4.105
   41    HD2  PHE   6           HD1      PHE   6  -5.875  -5.297   3.217
   42    HE1  PHE   6           HE2      PHE   6 -10.425  -3.464   2.728
   43    HE2  PHE   6           HE1      PHE   6  -7.596  -6.499   1.840
   44    HZ   PHE   6           HZ       PHE   6  -9.850  -5.567   1.613
   45    HB2  PHE   6           2HB      PHE   6  -6.292  -1.909   4.461
   46    HB3  PHE   6           3HB      PHE   6  -5.157  -3.215   4.181
   47    H    ILE   7           H        ILE   7  -3.607  -3.387   6.313
   48    HA   ILE   7           HA       ILE   7  -3.342  -6.217   6.014
   49    HB   ILE   7           HB       ILE   7  -0.970  -5.786   6.302
   50   HG12  ILE   7          2HG1      ILE   7  -0.233  -3.358   6.533
   51   HG13  ILE   7          3HG1      ILE   7  -1.863  -2.997   7.066
   52   HG21  ILE   7          1HG2      ILE   7  -0.673  -4.849   4.243
   53   HG22  ILE   7          2HG2      ILE   7  -2.418  -5.190   4.165
   54   HG23  ILE   7          3HG2      ILE   7  -1.848  -3.544   4.536
   55   HD11  ILE   7          3HD1      ILE   7  -1.488  -3.871   9.130
   56   HD12  ILE   7          1HD1      ILE   7  -0.767  -5.350   8.451
   57   HD13  ILE   7          2HD1      ILE   7   0.235  -3.898   8.686
   58    H    GLY   8           H        GLY   8  -3.843  -3.948   8.642
   59    HA2  GLY   8           1HA      GLY   8  -2.744  -5.593  10.711
   60    HA3  GLY   8           2HA      GLY   8  -3.765  -4.180  10.892
   61    H    LEU   9           H        LEU   9  -5.849  -5.350   8.985
   62    HA   LEU   9           HA       LEU   9  -7.302  -6.754  11.011
   63    HG   LEU   9           HG       LEU   9  -9.371  -7.914   9.340
   64    HB2  LEU   9           2HB      LEU   9  -8.729  -5.420   9.894
   65    HB3  LEU   9           3HB      LEU   9  -7.836  -5.514   8.388
   66   HD11  LEU   9          1HD1      LEU   9 -11.376  -7.119   8.176
   67   HD12  LEU   9          2HD1      LEU   9 -10.954  -6.071   9.552
   68   HD13  LEU   9          3HD1      LEU   9 -10.590  -5.547   7.890
   69   HD21  LEU   9          3HD2      LEU   9  -9.405  -8.542   7.079
   70   HD22  LEU   9          1HD2      LEU   9  -8.989  -6.904   6.522
   71   HD23  LEU   9          2HD2      LEU   9  -7.768  -7.898   7.351
   72    H    MET  10           H        MET  10  -5.086  -7.584   8.482
   73    HA   MET  10           HA       MET  10  -6.193 -10.096   7.868
   74    HB2  MET  10           2HB      MET  10  -4.035  -8.428   7.007
   75    HB3  MET  10           3HB      MET  10  -3.273  -9.912   7.545
   76    HG2  MET  10           2HG      MET  10  -5.723 -10.188   5.817
   77    HG3  MET  10           3HG      MET  10  -4.264  -9.612   5.037
   78    HE1  MET  10           3HE      MET  10  -4.933 -13.493   7.292
   79    HE2  MET  10           1HE      MET  10  -5.904 -12.002   7.274
   80    HE3  MET  10           2HE      MET  10  -5.997 -13.141   5.910
  Start of MODEL   18
    1    HA   PCA   1           HA       PCA   1   1.286   3.823   2.539
    2    H1   PCA   1           HN       PCA   1   2.010   2.461   4.477
    3    HB2  PCA   1           3HB      PCA   1  -0.585   2.245   1.161
    4    HB3  PCA   1           2HB      PCA   1   1.172   2.295   0.824
    5    HG2  PCA   1           3HG      PCA   1  -0.364   0.217   2.360
    6    HG3  PCA   1           2HG      PCA   1   1.101   0.029   1.346
    7    H    ASN   2           H        ASN   2  -1.507   3.766   1.679
    8    HA   ASN   2           HA       ASN   2  -2.583   5.073   3.894
    9    HB2  ASN   2           2HB      ASN   2  -3.224   4.681   1.107
   10    HB3  ASN   2           3HB      ASN   2  -4.656   4.255   2.024
   11   HD21  ASN   2          1HD2      ASN   2  -3.864   6.572   0.275
   12   HD22  ASN   2          2HD2      ASN   2  -4.238   7.998   1.184
   13    HA   PRO   3           HA       PRO   3  -5.298   1.159   4.139
   14    HB2  PRO   3           2HB      PRO   3  -4.836  -0.951   2.464
   15    HB3  PRO   3           3HB      PRO   3  -6.027   0.292   2.134
   16    HG2  PRO   3           2HG      PRO   3  -3.367  -0.101   0.904
   17    HG3  PRO   3           3HG      PRO   3  -4.722   0.843   0.315
   18    HD2  PRO   3           2HD      PRO   3  -2.344   1.848   1.567
   19    HD3  PRO   3           3HD      PRO   3  -3.747   2.779   1.083
   20    H    ASN   4           H        ASN   4  -2.923   1.752   5.418
   21    HA   ASN   4           HA       ASN   4  -1.469  -0.653   5.686
   22    HB2  ASN   4           2HB      ASN   4  -0.214   0.562   7.410
   23    HB3  ASN   4           3HB      ASN   4  -0.517   1.663   6.080
   24   HD21  ASN   4          1HD2      ASN   4  -1.965   3.338   6.286
   25   HD22  ASN   4          2HD2      ASN   4  -2.597   3.879   7.805
   26    H    ARG   5           H        ARG   5  -4.431   0.649   6.953
   27    HA   ARG   5           HA       ARG   5  -4.270  -0.673   9.463
   28    HE   ARG   5           HE       ARG   5  -4.279   3.529  11.529
   29    HB2  ARG   5           2HB      ARG   5  -6.124   1.166   8.069
   30    HB3  ARG   5           3HB      ARG   5  -6.973  -0.048   9.006
   31    HG2  ARG   5           2HG      ARG   5  -6.576   1.213  10.849
   32    HG3  ARG   5           3HG      ARG   5  -4.887   0.768  10.713
   33    HD2  ARG   5           2HD      ARG   5  -4.432   2.740   9.297
   34    HD3  ARG   5           3HD      ARG   5  -6.135   3.152   9.263
   35   HH11  ARG   5          2HH2      ARG   5  -7.654   3.516  10.450
   36   HH12  ARG   5          1HH2      ARG   5  -8.214   4.467  11.785
   37   HH21  ARG   5          HH1       ARG   5  -6.647   5.202  13.441
   38    H    PHE   6           H        PHE   6  -5.222  -1.444   6.184
   39    HA   PHE   6           HA       PHE   6  -7.094  -3.477   6.843
   40    HD1  PHE   6           HD1      PHE   6  -7.075  -5.645   4.434
   41    HD2  PHE   6           HD2      PHE   6  -8.471  -1.662   3.995
   42    HE1  PHE   6           HE1      PHE   6  -9.249  -6.507   3.523
   43    HE2  PHE   6           HE2      PHE   6 -10.645  -2.525   3.085
   44    HZ   PHE   6           HZ       PHE   6 -11.009  -4.937   2.860
   45    HB2  PHE   6           2HB      PHE   6  -6.257  -2.014   4.607
   46    HB3  PHE   6           3HB      PHE   6  -5.510  -3.567   4.291
   47    H    ILE   7           H        ILE   7  -3.586  -3.248   6.674
   48    HA   ILE   7           HA       ILE   7  -3.166  -6.037   6.237
   49    HB   ILE   7           HB       ILE   7  -1.325  -3.841   7.189
   50   HG12  ILE   7          2HG1      ILE   7  -2.193  -3.362   4.983
   51   HG13  ILE   7          3HG1      ILE   7  -0.510  -3.835   4.869
   52   HG21  ILE   7          1HG2      ILE   7   0.456  -5.458   6.353
   53   HG22  ILE   7          2HG2      ILE   7  -0.330  -5.852   7.900
   54   HG23  ILE   7          3HG2      ILE   7  -0.805  -6.712   6.417
   55   HD11  ILE   7          3HD1      ILE   7  -2.948  -5.555   4.245
   56   HD12  ILE   7          1HD1      ILE   7  -1.697  -4.994   3.110
   57   HD13  ILE   7          2HD1      ILE   7  -1.295  -6.208   4.349
   58    H    GLY   8           H        GLY   8  -3.864  -3.943   8.976
   59    HA2  GLY   8           1HA      GLY   8  -2.814  -5.687  10.987
   60    HA3  GLY   8           2HA      GLY   8  -3.879  -4.314  11.208
   61    H    LEU   9           H        LEU   9  -5.846  -5.410   9.142
   62    HA   LEU   9           HA       LEU   9  -7.341  -6.983  11.010
   63    HG   LEU   9           HG       LEU   9  -9.256  -8.091   9.051
   64    HB2  LEU   9           2HB      LEU   9  -8.803  -5.661   9.954
   65    HB3  LEU   9           3HB      LEU   9  -7.812  -5.511   8.517
   66   HD11  LEU   9          1HD1      LEU   9 -10.984  -6.790   7.388
   67   HD12  LEU   9          2HD1      LEU   9 -11.206  -6.988   9.142
   68   HD13  LEU   9          3HD1      LEU   9 -10.507  -5.484   8.498
   69   HD21  LEU   9          3HD2      LEU   9  -8.312  -6.634   6.573
   70   HD22  LEU   9          1HD2      LEU   9  -7.715  -8.172   7.240
   71   HD23  LEU   9          2HD2      LEU   9  -9.346  -8.082   6.536
   72    H    MET  10           H        MET  10  -4.991  -7.585   8.556
   73    HA   MET  10           HA       MET  10  -6.038 -10.114   7.795
   74    HB2  MET  10           2HB      MET  10  -3.692  -8.372   7.187
   75    HB3  MET  10           3HB      MET  10  -3.320 -10.083   7.111
   76    HG2  MET  10           2HG      MET  10  -5.703  -8.822   5.670
   77    HG3  MET  10           3HG      MET  10  -4.137  -9.052   4.916
   78    HE1  MET  10           3HE      MET  10  -7.416 -11.912   4.770
   79    HE2  MET  10           1HE      MET  10  -7.458 -10.352   5.624
   80    HE3  MET  10           2HE      MET  10  -7.007 -10.413   3.903
  Start of MODEL   19
    1    HA   PCA   1           HA       PCA   1  -4.489   7.532   4.923
    2    H1   PCA   1           HN       PCA   1  -2.339   7.006   6.034
    3    HB2  PCA   1           3HB      PCA   1  -3.822   8.277   2.298
    4    HB3  PCA   1           2HB      PCA   1  -4.003   9.403   3.677
    5    HG2  PCA   1           3HG      PCA   1  -1.463   8.330   2.481
    6    HG3  PCA   1           2HG      PCA   1  -1.775   9.917   3.251
    7    H    ASN   2           H        ASN   2  -1.725   5.595   3.995
    8    HA   ASN   2           HA       ASN   2  -2.969   4.159   1.948
    9    HB2  ASN   2           2HB      ASN   2  -1.037   2.773   2.015
   10    HB3  ASN   2           3HB      ASN   2  -0.436   4.298   2.637
   11   HD21  ASN   2          1HD2      ASN   2  -0.439   4.605   4.981
   12   HD22  ASN   2          2HD2      ASN   2  -0.104   3.261   6.020
   13    HA   PRO   3           HA       PRO   3  -5.233   1.249   4.322
   14    HB2  PRO   3           2HB      PRO   3  -5.045  -1.064   2.879
   15    HB3  PRO   3           3HB      PRO   3  -6.131   0.243   2.455
   16    HG2  PRO   3           2HG      PRO   3  -3.579  -0.533   1.180
   17    HG3  PRO   3           3HG      PRO   3  -4.867   0.467   0.538
   18    HD2  PRO   3           2HD      PRO   3  -2.353   1.369   1.582
   19    HD3  PRO   3           3HD      PRO   3  -3.687   2.373   1.049
   20    H    ASN   4           H        ASN   4  -2.686   1.737   5.366
   21    HA   ASN   4           HA       ASN   4  -1.337  -0.634   5.822
   22    HB2  ASN   4           2HB      ASN   4  -0.127   1.348   6.332
   23    HB3  ASN   4           3HB      ASN   4  -1.469   2.066   7.200
   24   HD21  ASN   4          1HD2      ASN   4  -1.785   1.665   9.324
   25   HD22  ASN   4          2HD2      ASN   4  -0.706   0.760  10.333
   26    H    ARG   5           H        ARG   5  -4.340   0.661   7.041
   27    HA   ARG   5           HA       ARG   5  -4.222  -0.730   9.521
   28    HE   ARG   5           HE       ARG   5  -6.975   2.414  12.849
   29    HB2  ARG   5           2HB      ARG   5  -5.753   1.399   8.437
   30    HB3  ARG   5           3HB      ARG   5  -6.912   0.105   8.675
   31    HG2  ARG   5           2HG      ARG   5  -6.548   0.015  11.008
   32    HG3  ARG   5           3HG      ARG   5  -4.949   0.724  10.893
   33    HD2  ARG   5           2HD      ARG   5  -5.755   2.889  10.887
   34    HD3  ARG   5           3HD      ARG   5  -7.156   2.481   9.917
   35   HH11  ARG   5          2HH2      ARG   5  -8.784   1.294  10.016
   36   HH12  ARG   5          1HH2      ARG   5 -10.237   0.990  10.910
   37   HH21  ARG   5          HH1       ARG   5 -10.276   1.420  13.268
   38    H    PHE   6           H        PHE   6  -5.156  -1.372   6.214
   39    HA   PHE   6           HA       PHE   6  -7.092  -3.373   6.791
   40    HD1  PHE   6           HD2      PHE   6  -7.420  -5.372   5.007
   41    HD2  PHE   6           HD1      PHE   6  -8.079  -1.547   3.292
   42    HE1  PHE   6           HE2      PHE   6  -9.597  -6.176   4.049
   43    HE2  PHE   6           HE1      PHE   6 -10.255  -2.352   2.334
   44    HZ   PHE   6           HZ       PHE   6 -10.988  -4.657   2.724
   45    HB2  PHE   6           2HB      PHE   6  -6.220  -1.854   4.614
   46    HB3  PHE   6           3HB      PHE   6  -5.486  -3.402   4.247
   47    H    ILE   7           H        ILE   7  -3.585  -3.227   6.693
   48    HA   ILE   7           HA       ILE   7  -3.221  -6.003   6.135
   49    HB   ILE   7           HB       ILE   7  -1.491  -3.693   6.904
   50   HG12  ILE   7          2HG1      ILE   7  -0.425  -5.237   4.793
   51   HG13  ILE   7          3HG1      ILE   7  -2.155  -5.179   4.513
   52   HG21  ILE   7          1HG2      ILE   7   0.418  -5.500   6.731
   53   HG22  ILE   7          2HG2      ILE   7  -0.388  -5.157   8.279
   54   HG23  ILE   7          3HG2      ILE   7  -0.858  -6.587   7.330
   55   HD11  ILE   7          3HD1      ILE   7  -1.674  -2.566   5.242
   56   HD12  ILE   7          1HD1      ILE   7  -0.150  -2.987   4.425
   57   HD13  ILE   7          2HD1      ILE   7  -1.697  -3.150   3.560
   58    H    GLY   8           H        GLY   8  -3.918  -4.014   8.954
   59    HA2  GLY   8           1HA      GLY   8  -2.954  -5.880  10.899
   60    HA3  GLY   8           2HA      GLY   8  -3.977  -4.483  11.167
   61    H    LEU   9           H        LEU   9  -5.956  -5.398   9.040
   62    HA   LEU   9           HA       LEU   9  -7.651  -6.822  10.767
   63    HG   LEU   9           HG       LEU   9  -9.507  -6.713   7.116
   64    HB2  LEU   9           2HB      LEU   9  -9.073  -5.877   9.379
   65    HB3  LEU   9           3HB      LEU   9  -7.786  -5.470   8.261
   66   HD11  LEU   9          1HD1      LEU   9  -6.798  -7.337   7.074
   67   HD12  LEU   9          2HD1      LEU   9  -7.610  -8.921   7.129
   68   HD13  LEU   9          3HD1      LEU   9  -8.012  -7.759   5.842
   69   HD21  LEU   9          3HD2      LEU   9  -9.683  -8.177   9.532
   70   HD22  LEU   9          1HD2      LEU   9 -10.689  -8.325   8.071
   71   HD23  LEU   9          2HD2      LEU   9  -9.232  -9.331   8.253
   72    H    MET  10           H        MET  10  -5.216  -7.775   8.391
   73    HA   MET  10           HA       MET  10  -6.212 -10.386   8.048
   74    HB2  MET  10           2HB      MET  10  -4.243  -8.745   6.893
   75    HB3  MET  10           3HB      MET  10  -3.284  -9.966   7.705
   76    HG2  MET  10           2HG      MET  10  -3.863 -11.577   6.194
   77    HG3  MET  10           3HG      MET  10  -5.565 -11.169   6.285
   78    HE1  MET  10           3HE      MET  10  -6.772 -10.461   4.671
   79    HE2  MET  10           1HE      MET  10  -6.345  -9.614   3.164
   80    HE3  MET  10           2HE      MET  10  -5.935 -11.335   3.365
  Start of MODEL   20
    1    HA   PCA   1           HA       PCA   1  -0.063   2.690   2.363
    2    H1   PCA   1           HN       PCA   1  -1.584   2.369   0.434
    3    HB2  PCA   1           3HB      PCA   1   0.319   5.465   2.571
    4    HB3  PCA   1           2HB      PCA   1   1.365   4.345   1.647
    5    HG2  PCA   1           3HG      PCA   1  -0.777   6.173   0.597
    6    HG3  PCA   1           2HG      PCA   1   0.748   5.644  -0.180
    7    H    ASN   2           H        ASN   2  -3.096   4.115   1.416
    8    HA   ASN   2           HA       ASN   2  -3.714   5.313   3.868
    9    HB2  ASN   2           2HB      ASN   2  -4.917   5.041   1.305
   10    HB3  ASN   2           3HB      ASN   2  -6.052   4.284   2.403
   11   HD21  ASN   2          1HD2      ASN   2  -4.095   7.189   1.894
   12   HD22  ASN   2          2HD2      ASN   2  -5.154   8.319   2.670
   13    HA   PRO   3           HA       PRO   3  -5.909   1.119   4.537
   14    HB2  PRO   3           2HB      PRO   3  -5.451  -0.943   2.804
   15    HB3  PRO   3           3HB      PRO   3  -6.830   0.129   2.674
   16    HG2  PRO   3           2HG      PRO   3  -4.377   0.061   1.029
   17    HG3  PRO   3           3HG      PRO   3  -5.918   0.812   0.669
   18    HD2  PRO   3           2HD      PRO   3  -3.523   2.138   1.524
   19    HD3  PRO   3           3HD      PRO   3  -5.095   2.871   1.276
   20    H    ASN   4           H        ASN   4  -3.457   2.038   5.417
   21    HA   ASN   4           HA       ASN   4  -1.614  -0.065   5.406
   22    HB2  ASN   4           2HB      ASN   4  -0.483   1.263   7.208
   23    HB3  ASN   4           3HB      ASN   4  -0.944   2.279   5.856
   24   HD21  ASN   4          1HD2      ASN   4  -0.491   2.843   8.726
   25   HD22  ASN   4          2HD2      ASN   4  -1.912   3.647   9.305
   26    H    ARG   5           H        ARG   5  -4.560   0.626   7.153
   27    HA   ARG   5           HA       ARG   5  -3.811  -0.932   9.432
   28    HE   ARG   5           HE       ARG   5  -6.466   3.123  12.235
   29    HB2  ARG   5           2HB      ARG   5  -6.317   0.568   8.581
   30    HB3  ARG   5           3HB      ARG   5  -6.378  -0.538   9.939
   31    HG2  ARG   5           2HG      ARG   5  -5.018   0.796  11.279
   32    HG3  ARG   5           3HG      ARG   5  -4.109   1.429   9.921
   33    HD2  ARG   5           2HD      ARG   5  -5.739   3.062   9.407
   34    HD3  ARG   5           3HD      ARG   5  -7.034   2.163  10.171
   35   HH11  ARG   5          2HH2      ARG   5  -3.806   3.636   9.952
   36   HH12  ARG   5          1HH2      ARG   5  -2.942   4.703  11.007
   37   HH21  ARG   5          HH1       ARG   5  -3.854   5.214  13.164
   38    H    PHE   6           H        PHE   6  -5.299  -1.353   6.292
   39    HA   PHE   6           HA       PHE   6  -7.026  -3.455   6.777
   40    HD1  PHE   6           HD2      PHE   6  -6.239  -5.659   4.218
   41    HD2  PHE   6           HD1      PHE   6  -8.473  -2.068   3.867
   42    HE1  PHE   6           HE2      PHE   6  -8.078  -6.916   3.061
   43    HE2  PHE   6           HE1      PHE   6 -10.312  -3.325   2.710
   44    HZ   PHE   6           HZ       PHE   6 -10.093  -5.734   2.321
   45    HB2  PHE   6           2HB      PHE   6  -6.282  -1.962   4.647
   46    HB3  PHE   6           3HB      PHE   6  -5.185  -3.295   4.351
   47    H    ILE   7           H        ILE   7  -3.510  -3.327   6.813
   48    HA   ILE   7           HA       ILE   7  -3.152  -6.118   6.330
   49    HB   ILE   7           HB       ILE   7  -0.975  -5.639   6.248
   50   HG12  ILE   7          2HG1      ILE   7  -0.680  -5.451   8.645
   51   HG13  ILE   7          3HG1      ILE   7   0.251  -4.212   7.827
   52   HG21  ILE   7          1HG2      ILE   7  -1.678  -2.720   6.383
   53   HG22  ILE   7          2HG2      ILE   7  -0.560  -3.572   5.290
   54   HG23  ILE   7          3HG2      ILE   7  -2.319  -3.748   5.078
   55   HD11  ILE   7          3HD1      ILE   7  -1.732  -3.855   9.852
   56   HD12  ILE   7          1HD1      ILE   7  -0.834  -2.593   8.975
   57   HD13  ILE   7          2HD1      ILE   7  -2.399  -3.169   8.352
   58    H    GLY   8           H        GLY   8  -3.930  -4.060   9.073
   59    HA2  GLY   8           1HA      GLY   8  -3.033  -5.875  11.097
   60    HA3  GLY   8           2HA      GLY   8  -4.066  -4.472  11.294
   61    H    LEU   9           H        LEU   9  -5.963  -5.457   9.115
   62    HA   LEU   9           HA       LEU   9  -7.616  -6.990  10.868
   63    HG   LEU   9           HG       LEU   9  -9.422  -8.059   8.817
   64    HB2  LEU   9           2HB      LEU   9  -8.943  -5.612   9.702
   65    HB3  LEU   9           3HB      LEU   9  -7.866  -5.545   8.320
   66   HD11  LEU   9          1HD1      LEU   9 -10.591  -5.425   8.237
   67   HD12  LEU   9          2HD1      LEU   9 -11.052  -6.703   7.087
   68   HD13  LEU   9          3HD1      LEU   9 -11.351  -6.922   8.828
   69   HD21  LEU   9          3HD2      LEU   9  -7.680  -7.935   7.052
   70   HD22  LEU   9          1HD2      LEU   9  -9.307  -8.289   6.423
   71   HD23  LEU   9          2HD2      LEU   9  -8.624  -6.654   6.254
   72    H    MET  10           H        MET  10  -5.133  -7.682   8.563
   73    HA   MET  10           HA       MET  10  -6.204 -10.184   7.756
   74    HB2  MET  10           2HB      MET  10  -4.142  -8.430   6.930
   75    HB3  MET  10           3HB      MET  10  -3.267  -9.822   7.535
   76    HG2  MET  10           2HG      MET  10  -3.889 -11.120   5.761
   77    HG3  MET  10           3HG      MET  10  -5.568 -10.632   5.884
   78    HE1  MET  10           3HE      MET  10  -5.763 -10.724   3.327
   79    HE2  MET  10           1HE      MET  10  -6.673  -9.358   4.017
   80    HE3  MET  10           2HE      MET  10  -5.738  -9.138   2.519