*HEADER    TOXIN                                   28-FEB-12   2LQA              
*TITLE     SOLUTION NMR STRUCTURE OF ASTEROPSIN A FROM MARINE SPONGE ASTEROPUS   
*TITLE    2 SP.                                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ASTEROPSIN A;                                              
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ASTEROPUS;                                      
*SOURCE   3 ORGANISM_TAXID: 350938                                               
*KEYWDS    KNOTTIN, SPONGE, TOXIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    H.LI, J.J.BOWLING, M.T.HAMANN, J.H.JUNG                               
*REVDAT   1   06-FEB-13 2LQA    0                                                


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assign (resid   34 and name HN   ) (resid   34 and name HB1  )   3.79   3.79   0.00
assign (resid   28 and name HN   ) (resid   31 and name HN   )   4.85   4.85   0.00
assign (resid    1 and name HB*  ) (resid    3 and name HN   )   4.62   4.62   0.00
assign (resid    3 and name HB*  ) (resid    4 and name HN   )   3.29   3.29   0.00
assign (resid    3 and name HB*  ) (resid   16 and name HG*  )   3.84   3.84   0.00
assign (resid    3 and name HB*  ) (resid   18 and name HN   )   4.01   4.01   0.00
assign (resid    3 and name HB*  ) (resid   18 and name HA   )   3.04   3.04   0.00
assign (resid    3 and name HB*  ) (resid   18 and name HB1  )   4.90   4.90   0.00
assign (resid    3 and name HB*  ) (resid   19 and name HD2  )   4.32   4.32   0.00
assign (resid    3 and name HB*  ) (resid   19 and name HD1  )   4.47   4.47   0.00
assign (resid    5 and name HB*  ) (resid    6 and name HN   )   2.71   2.71   0.00
assign (resid    6 and name HN   ) (resid    6 and name HB*  )   2.91   2.91   0.00
assign (resid    6 and name HN   ) (resid    6 and name HG*  )   4.56   4.56   0.00
assign (resid    6 and name HB*  ) (resid    7 and name HN   )   4.03   4.03   0.00
assign (resid    6 and name HB*  ) (resid   23 and name HD1* )   4.37   4.37   0.00
assign (resid    6 and name HB*  ) (resid   23 and name HD2* )   3.33   3.33   0.00
assign (resid    6 and name HB*  ) (resid   36 and name HD*  )   5.34   5.34   0.00
assign (resid    6 and name HG*  ) (resid    7 and name HN   )   3.53   3.53   0.00
assign (resid    6 and name HG*  ) (resid   23 and name HB1  )   4.88   4.88   0.00
assign (resid    6 and name HG*  ) (resid   23 and name HD1* )   4.75   4.75   0.00
assign (resid    6 and name HG*  ) (resid   23 and name HD2* )   3.84   3.84   0.00
assign (resid    9 and name HN   ) (resid    9 and name HB*  )   3.09   3.09   0.00
assign (resid    9 and name HB*  ) (resid   10 and name HN   )   3.71   3.71   0.00
assign (resid   10 and name HN   ) (resid   32 and name HA*  )   5.29   5.29   0.00
assign (resid   11 and name HN   ) (resid   11 and name HB*  )   3.37   3.37   0.00
assign (resid   11 and name HB*  ) (resid   11 and name HD21 )   2.93   2.93   0.00
assign (resid   11 and name HB*  ) (resid   11 and name HD22 )   3.41   3.41   0.00
assign (resid   11 and name HB*  ) (resid   13 and name HN   )   4.06   4.06   0.00
assign (resid   11 and name HB*  ) (resid   14 and name HN   )   4.25   4.25   0.00
assign (resid   11 and name HB*  ) (resid   15 and name HN   )   3.29   3.29   0.00
assign (resid   11 and name HB*  ) (resid   15 and name HB2  )   4.79   4.79   0.00
assign (resid   11 and name HB*  ) (resid   15 and name HB1  )   3.51   3.51   0.00
assign (resid   11 and name HB*  ) (resid   31 and name HA   )   4.37   4.37   0.00
assign (resid   12 and name HG1* ) (resid   25 and name HB*  )   3.16   3.16   0.00
assign (resid   13 and name HB2  ) (resid   13 and name HE2* )   4.60   4.60   0.00
assign (resid   18 and name HB2  ) (resid   21 and name HD*  )   3.72   3.72   0.00
assign (resid   18 and name HB1  ) (resid   21 and name HD*  )   3.72   3.72   0.00
assign (resid   19 and name HA   ) (resid   20 and name HA*  )   4.68   4.68   0.00
assign (resid   20 and name HA*  ) (resid   22 and name HN   )   4.69   4.69   0.00
assign (resid   21 and name HN   ) (resid   21 and name HB*  )   3.17   3.17   0.00
assign (resid   21 and name HN   ) (resid   22 and name HA*  )   4.73   4.73   0.00
assign (resid   21 and name HA   ) (resid   21 and name HD*  )   3.02   3.02   0.00
assign (resid   21 and name HB*  ) (resid   22 and name HN   )   4.02   4.02   0.00
assign (resid   21 and name HB*  ) (resid   23 and name HN   )   4.26   4.26   0.00
assign (resid   21 and name HB*  ) (resid   23 and name HD2* )   4.83   4.83   0.00
assign (resid   22 and name HA*  ) (resid   23 and name HG   )   5.34   5.34   0.00
assign (resid   22 and name HA*  ) (resid   36 and name HD*  )   4.41   4.41   0.00
assign (resid   22 and name HA*  ) (resid   36 and name HE*  )   4.11   4.11   0.00
assign (resid   22 and name HA*  ) (resid   37 and name HB*  )   5.34   5.34   0.00
assign (resid   24 and name HG2* ) (resid   25 and name HB*  )   5.34   5.34   0.00
assign (resid   25 and name HN   ) (resid   25 and name HB*  )   3.01   3.01   0.00
assign (resid   25 and name HB*  ) (resid   28 and name HA1  )   3.96   3.96   0.00
assign (resid   26 and name HN   ) (resid   32 and name HA*  )   3.38   3.38   0.00
assign (resid   26 and name HA   ) (resid   32 and name HA*  )   4.21   4.21   0.00
assign (resid   26 and name HG2* ) (resid   27 and name HG*  )   4.88   4.88   0.00
assign (resid   26 and name HG2* ) (resid   27 and name HD*  )   3.73   3.73   0.00
assign (resid   27 and name HG*  ) (resid   28 and name HN   )   3.30   3.30   0.00
assign (resid   27 and name HG*  ) (resid   29 and name HN   )   3.66   3.66   0.00
assign (resid   27 and name HG*  ) (resid   29 and name HD21 )   5.35   5.35   0.00
assign (resid   27 and name HG*  ) (resid   29 and name HD22 )   4.79   4.79   0.00
assign (resid   27 and name HD*  ) (resid   28 and name HN   )   3.45   3.45   0.00
assign (resid   27 and name HD*  ) (resid   29 and name HN   )   5.01   5.01   0.00
assign (resid   28 and name HN   ) (resid   32 and name HA*  )   3.22   3.22   0.00
assign (resid   28 and name HA2  ) (resid   32 and name HA*  )   3.69   3.69   0.00
assign (resid   29 and name HN   ) (resid   29 and name HB*  )   3.59   3.59   0.00
assign (resid   29 and name HN   ) (resid   32 and name HA*  )   5.34   5.34   0.00
assign (resid   29 and name HB*  ) (resid   29 and name HD21 )   3.08   3.08   0.00
assign (resid   29 and name HB*  ) (resid   29 and name HD22 )   3.51   3.51   0.00
assign (resid   31 and name HN   ) (resid   31 and name HB*  )   3.28   3.28   0.00
assign (resid   31 and name HA   ) (resid   32 and name HA*  )   4.64   4.64   0.00
assign (resid   31 and name HB*  ) (resid   32 and name HN   )   3.22   3.22   0.00
assign (resid   32 and name HA*  ) (resid   33 and name HN   )   2.75   2.75   0.00
assign (resid   36 and name HN   ) (resid   36 and name HB*  )   3.03   3.03   0.00
assign (resid   36 and name HB*  ) (resid   37 and name HN   )   4.04   4.04   0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PCA   1           H        PCA   1 -11.609   7.628   4.405
    2    HA   PCA   1           HA       PCA   1  -9.434   6.829   4.955
    3    HB2  PCA   1           3HB      PCA   1  -9.992   4.509   5.218
    4    HB3  PCA   1           2HB      PCA   1  -9.237   4.335   3.586
    5    HG2  PCA   1           3HG      PCA   1 -11.644   3.742   3.554
    6    HG3  PCA   1           2HG      PCA   1 -11.622   3.934   5.326
    7    H    GLY   2           H        GLY   2  -7.569   7.232   3.804
    8    HA2  GLY   2           2HA      GLY   2  -7.856   7.636   0.897
    9    HA3  GLY   2           3HA      GLY   2  -6.721   8.493   1.929
   10    H    CYS   3           H        CYS   3  -5.399   6.629   3.275
   11    HA   CYS   3           HA       CYS   3  -4.000   5.145   1.170
   12    HB2  CYS   3           2HB      CYS   3  -2.135   5.020   2.769
   13    HB3  CYS   3           3HB      CYS   3  -2.639   6.683   2.494
   14    H    ALA   4           H        ALA   4  -3.275   2.965   1.549
   15    HA   ALA   4           HA       ALA   4  -5.249   1.394   3.015
   16    HB1  ALA   4           3HB      ALA   4  -4.873  -0.256   1.521
   17    HB2  ALA   4           1HB      ALA   4  -3.128  -0.004   1.530
   18    HB3  ALA   4           2HB      ALA   4  -4.165   1.044   0.563
   19    H    PHE   5           H        PHE   5  -4.716  -0.249   4.488
   20    HA   PHE   5           HA       PHE   5  -2.226   0.236   5.946
   21    HB2  PHE   5           2HB      PHE   5  -3.365  -1.119   7.779
   22    HB3  PHE   5           3HB      PHE   5  -4.070   0.446   7.414
   23    HD1  PHE   5           HD1      PHE   5  -4.481  -3.201   6.854
   24    HD2  PHE   5           HD2      PHE   5  -6.327   0.635   6.830
   25    HE1  PHE   5           HE1      PHE   5  -6.683  -4.265   6.587
   26    HE2  PHE   5           HE2      PHE   5  -8.531  -0.423   6.561
   27    HZ   PHE   5           HZ       PHE   5  -8.711  -2.876   6.439
   28    H    GLU   6           H        GLU   6  -1.370  -1.810   7.108
   29    HA   GLU   6           HA       GLU   6  -0.269  -3.542   5.208
   30    HB2  GLU   6           2HB      GLU   6   0.478  -2.902   7.630
   31    HB3  GLU   6           3HB      GLU   6  -0.467  -4.305   8.099
   32    HG2  GLU   6           2HG      GLU   6   0.909  -5.687   6.574
   33    HG3  GLU   6           3HG      GLU   6   1.901  -4.270   6.240
   34    H    GLY   7           H        GLY   7  -0.902  -5.377   4.296
   35    HA2  GLY   7           2HA      GLY   7  -1.815  -7.608   4.502
   36    HA3  GLY   7           3HA      GLY   7  -3.031  -6.961   5.587
   37    H    GLU   8           H        GLU   8  -3.321  -4.622   3.564
   38    HA   GLU   8           HA       GLU   8  -5.127  -6.108   1.780
   39    HB2  GLU   8           2HB      GLU   8  -6.481  -4.081   1.606
   40    HB3  GLU   8           3HB      GLU   8  -6.286  -4.562   3.281
   41    HG2  GLU   8           2HG      GLU   8  -4.877  -2.762   3.757
   42    HG3  GLU   8           3HG      GLU   8  -4.531  -2.467   2.053
   43    H    SER   9           H        SER   9  -5.668  -4.664  -0.270
   44    HA   SER   9           HA       SER   9  -3.146  -4.379  -1.700
   45    HB2  SER   9           2HB      SER   9  -4.631  -4.274  -3.724
   46    HB3  SER   9           3HB      SER   9  -4.791  -5.759  -2.789
   47    HG   SER   9           HG       SER   9  -6.843  -5.113  -3.148
   48    H    CYS  10           H        CYS  10  -2.549  -2.565  -2.862
   49    HA   CYS  10           HA       CYS  10  -4.060  -0.088  -2.406
   50    HB2  CYS  10           2HB      CYS  10  -1.767   1.033  -2.072
   51    HB3  CYS  10           3HB      CYS  10  -2.405   0.083  -0.735
   52    H    ASN  11           H        ASN  11  -4.329   1.075  -4.190
   53    HA   ASN  11           HA       ASN  11  -2.832   0.356  -6.605
   54    HB2  ASN  11           2HB      ASN  11  -5.526   1.458  -6.062
   55    HB3  ASN  11           3HB      ASN  11  -4.717   2.088  -7.494
   56   HD21  ASN  11          1HD2      ASN  11  -4.110   0.636  -9.141
   57   HD22  ASN  11          2HD2      ASN  11  -4.916  -0.881  -9.327
   58    H    VAL  12           H        VAL  12  -1.198   1.564  -7.240
   59    HA   VAL  12           HA       VAL  12  -0.539   4.045  -5.979
   60    HB   VAL  12           HB       VAL  12   1.399   4.112  -7.549
   61   HG11  VAL  12          1HG1      VAL  12   1.566   2.986  -5.396
   62   HG12  VAL  12          2HG1      VAL  12   2.545   2.170  -6.615
   63   HG13  VAL  12          3HG1      VAL  12   0.995   1.485  -6.126
   64   HG21  VAL  12          3HG2      VAL  12   1.872   2.166  -8.974
   65   HG22  VAL  12          1HG2      VAL  12   0.418   3.016  -9.498
   66   HG23  VAL  12          2HG2      VAL  12   0.280   1.506  -8.597
   67    H    GLN  13           H        GLN  13  -2.944   3.705  -8.007
   68    HA   GLN  13           HA       GLN  13  -2.322   6.017  -9.712
   69    HB2  GLN  13           2HB      GLN  13  -3.213   3.708 -10.577
   70    HB3  GLN  13           3HB      GLN  13  -4.768   4.312 -10.033
   71    HG2  GLN  13           2HG      GLN  13  -4.724   4.875 -12.281
   72    HG3  GLN  13           3HG      GLN  13  -4.248   6.372 -11.481
   73   HE21  GLN  13          1HE2      GLN  13  -2.117   7.078 -11.638
   74   HE22  GLN  13          2HE2      GLN  13  -1.029   6.460 -12.829
   75    H    PHE  14           H        PHE  14  -4.445   4.910  -7.146
   76    HA   PHE  14           HA       PHE  14  -5.449   7.619  -6.787
   77    HB2  PHE  14           2HB      PHE  14  -7.842   6.544  -6.498
   78    HB3  PHE  14           3HB      PHE  14  -7.267   7.031  -8.087
   79    HD1  PHE  14           HD2      PHE  14  -7.999   4.185  -5.899
   80    HD2  PHE  14           HD1      PHE  14  -6.738   5.411  -9.770
   81    HE1  PHE  14           HE2      PHE  14  -8.327   1.892  -6.726
   82    HE2  PHE  14           HE1      PHE  14  -7.060   3.120 -10.606
   83    HZ   PHE  14           HZ       PHE  14  -7.847   1.360  -9.080
   84    H    TYR  15           H        TYR  15  -4.955   4.385  -5.531
   85    HA   TYR  15           HA       TYR  15  -5.550   5.422  -2.835
   86    HB2  TYR  15           2HB      TYR  15  -7.187   3.681  -3.866
   87    HB3  TYR  15           3HB      TYR  15  -5.917   2.518  -3.515
   88    HD1  TYR  15           HD1      TYR  15  -8.260   4.946  -1.995
   89    HD2  TYR  15           HD2      TYR  15  -5.563   1.729  -1.298
   90    HE1  TYR  15           HE1      TYR  15  -9.100   4.749   0.308
   91    HE2  TYR  15           HE2      TYR  15  -6.397   1.525   1.006
   92    HH   TYR  15           HH       TYR  15  -7.524   2.918   2.689
   93    HA   PRO  16           HA       PRO  16  -1.172   3.932  -2.743
   94    HB2  PRO  16           2HB      PRO  16  -0.151   5.964  -1.262
   95    HB3  PRO  16           3HB      PRO  16  -0.401   6.099  -3.012
   96    HG2  PRO  16           2HG      PRO  16  -2.025   7.205  -0.785
   97    HG3  PRO  16           3HG      PRO  16  -1.644   7.909  -2.368
   98    HD2  PRO  16           2HD      PRO  16  -4.033   6.680  -1.736
   99    HD3  PRO  16           3HD      PRO  16  -3.408   6.891  -3.380
  100    H    CYS  17           H        CYS  17   0.332   3.652  -0.741
  101    HA   CYS  17           HA       CYS  17  -1.251   2.432   1.375
  102    HB2  CYS  17           2HB      CYS  17   0.786   1.370   0.191
  103    HB3  CYS  17           3HB      CYS  17   1.756   2.420   1.218
  104    H    CYS  18           H        CYS  18  -0.623   2.728   3.670
  105    HA   CYS  18           HA       CYS  18  -0.452   5.534   4.302
  106    HB2  CYS  18           2HB      CYS  18  -0.698   3.108   6.088
  107    HB3  CYS  18           3HB      CYS  18  -0.783   4.775   6.647
  108    HA   PRO  19           HA       PRO  19   4.031   5.130   4.978
  109    HB2  PRO  19           2HB      PRO  19   4.675   7.720   4.593
  110    HB3  PRO  19           3HB      PRO  19   4.277   6.647   3.239
  111    HG2  PRO  19           2HG      PRO  19   2.632   8.758   4.517
  112    HG3  PRO  19           3HG      PRO  19   2.718   8.263   2.816
  113    HD2  PRO  19           2HD      PRO  19   0.737   7.501   4.626
  114    HD3  PRO  19           3HD      PRO  19   1.086   6.712   3.077
  115    H    GLY  20           H        GLY  20   5.623   6.476   6.397
  116    HA2  GLY  20           2HA      GLY  20   5.994   7.807   8.340
  117    HA3  GLY  20           3HA      GLY  20   4.304   7.601   8.770
  118    H    LEU  21           H        LEU  21   4.144   4.792   8.488
  119    HA   LEU  21           HA       LEU  21   5.459   3.985  10.954
  120    HB2  LEU  21           2HB      LEU  21   3.385   2.624   9.234
  121    HB3  LEU  21           3HB      LEU  21   4.042   1.929  10.702
  122    HG   LEU  21           HG       LEU  21   2.781   4.632  10.856
  123   HD11  LEU  21          1HD1      LEU  21   0.584   3.603  11.196
  124   HD12  LEU  21          2HD1      LEU  21   1.251   2.037  10.736
  125   HD13  LEU  21          3HD1      LEU  21   1.180   3.346   9.557
  126   HD21  LEU  21          3HD2      LEU  21   3.883   3.688  12.820
  127   HD22  LEU  21          1HD2      LEU  21   2.861   2.255  12.715
  128   HD23  LEU  21          2HD2      LEU  21   2.144   3.825  13.077
  129    H    GLY  22           H        GLY  22   5.434   3.094   7.534
  130    HA2  GLY  22           2HA      GLY  22   7.681   2.406   6.683
  131    HA3  GLY  22           3HA      GLY  22   7.723   1.292   8.040
  132    H    LEU  23           H        LEU  23   5.242   2.106   5.616
  133    HA   LEU  23           HA       LEU  23   5.052  -0.764   4.969
  134    HB2  LEU  23           2HB      LEU  23   2.890   1.344   4.845
  135    HB3  LEU  23           3HB      LEU  23   2.701  -0.317   4.325
  136    HG   LEU  23           HG       LEU  23   3.450   0.329   7.166
  137   HD11  LEU  23          1HD1      LEU  23   0.660   0.146   6.039
  138   HD12  LEU  23          2HD1      LEU  23   1.431   1.608   6.655
  139   HD13  LEU  23          3HD1      LEU  23   1.084   0.267   7.746
  140   HD21  LEU  23          3HD2      LEU  23   2.513  -1.824   7.643
  141   HD22  LEU  23          1HD2      LEU  23   3.643  -2.007   6.302
  142   HD23  LEU  23          2HD2      LEU  23   1.907  -1.981   5.995
  143    H    THR  24           H        THR  24   4.742  -1.374   2.817
  144    HA   THR  24           HA       THR  24   5.050   0.693   0.767
  145    HB   THR  24           HB       THR  24   7.334  -0.049   1.211
  146    HG1  THR  24           HG1      THR  24   6.889  -1.360  -1.195
  147   HG21  THR  24          3HG2      THR  24   6.920  -2.293   2.095
  148   HG22  THR  24          1HG2      THR  24   8.067  -2.353   0.757
  149   HG23  THR  24          2HG2      THR  24   6.391  -2.836   0.504
  150    H    CYS  25           H        CYS  25   4.449   0.033  -1.370
  151    HA   CYS  25           HA       CYS  25   2.415  -2.066  -1.373
  152    HB2  CYS  25           2HB      CYS  25   2.977   0.280  -3.185
  153    HB3  CYS  25           3HB      CYS  25   1.827  -0.978  -3.611
  154    H    ILE  26           H        ILE  26   2.800  -3.978  -2.280
  155    HA   ILE  26           HA       ILE  26   4.848  -4.174  -4.386
  156    HB   ILE  26           HB       ILE  26   4.415  -6.223  -2.189
  157   HG12  ILE  26          2HG1      ILE  26   7.006  -4.786  -2.566
  158   HG13  ILE  26          3HG1      ILE  26   5.690  -3.905  -1.801
  159   HG21  ILE  26          1HG2      ILE  26   5.084  -7.252  -4.313
  160   HG22  ILE  26          2HG2      ILE  26   6.372  -7.366  -3.115
  161   HG23  ILE  26          3HG2      ILE  26   6.473  -6.168  -4.405
  162   HD11  ILE  26          3HD1      ILE  26   6.833  -6.524  -0.853
  163   HD12  ILE  26          1HD1      ILE  26   5.539  -5.615  -0.076
  164   HD13  ILE  26          2HD1      ILE  26   7.163  -4.937  -0.160
  165    HA   PRO  27           HA       PRO  27   5.302  -5.017  -6.247
  166    HB2  PRO  27           2HB      PRO  27   3.975  -4.678  -8.788
  167    HB3  PRO  27           3HB      PRO  27   5.184  -5.889  -8.335
  168    HG2  PRO  27           2HG      PRO  27   2.570  -6.452  -8.906
  169    HG3  PRO  27           3HG      PRO  27   3.630  -7.474  -7.916
  170    HD2  PRO  27           2HD      PRO  27   1.503  -5.572  -7.065
  171    HD3  PRO  27           3HD      PRO  27   1.978  -7.128  -6.356
  172    H    GLY  28           H        GLY  28   2.132  -3.586  -7.030
  173    HA2  GLY  28           2HA      GLY  28   1.483  -1.364  -6.658
  174    HA3  GLY  28           3HA      GLY  28   3.167  -0.930  -6.420
  175    H    ASN  29           H        ASN  29   1.948  -2.730  -9.204
  176    HA   ASN  29           HA       ASN  29   2.008  -0.357 -10.882
  177    HB2  ASN  29           2HB      ASN  29   3.518  -1.519 -12.567
  178    HB3  ASN  29           3HB      ASN  29   4.287  -0.905 -11.112
  179   HD21  ASN  29          1HD2      ASN  29   5.123  -2.345  -9.615
  180   HD22  ASN  29          2HD2      ASN  29   5.358  -4.020  -9.967
  181    HA   PRO  30           HA       PRO  30   0.168   0.242 -10.720
  182    HB2  PRO  30           2HB      PRO  30  -2.536   0.420 -10.850
  183    HB3  PRO  30           3HB      PRO  30  -1.482   0.788 -12.225
  184    HG2  PRO  30           2HG      PRO  30  -3.271  -1.493 -11.819
  185    HG3  PRO  30           3HG      PRO  30  -2.587  -0.845 -13.317
  186    HD2  PRO  30           2HD      PRO  30  -1.702  -3.126 -11.811
  187    HD3  PRO  30           3HD      PRO  30  -1.039  -2.487 -13.326
  188    H    ASP  31           H        ASP  31  -1.533  -2.723  -9.929
  189    HA   ASP  31           HA       ASP  31  -2.362  -1.826  -7.300
  190    HB2  ASP  31           2HB      ASP  31  -2.617  -4.473  -8.735
  191    HB3  ASP  31           3HB      ASP  31  -3.190  -4.206  -7.093
  192    H    GLY  32           H        GLY  32  -1.673  -2.690  -5.336
  193    HA2  GLY  32           2HA      GLY  32   0.627  -4.484  -5.293
  194    HA3  GLY  32           3HA      GLY  32   0.886  -2.868  -4.659
  195    H    THR  33           H        THR  33   1.424  -4.596  -2.873
  196    HA   THR  33           HA       THR  33  -0.951  -4.795  -1.132
  197    HB   THR  33           HB       THR  33   1.366  -6.656  -0.746
  198    HG1  THR  33           HG1      THR  33   0.659  -8.025  -2.306
  199   HG21  THR  33          3HG2      THR  33  -1.617  -6.945  -0.335
  200   HG22  THR  33          1HG2      THR  33  -0.425  -6.612   0.922
  201   HG23  THR  33          2HG2      THR  33  -0.404  -8.158   0.074
  202    H    CYS  34           H        CYS  34  -0.720  -4.112   0.971
  203    HA   CYS  34           HA       CYS  34   1.603  -2.457   1.509
  204    HB2  CYS  34           2HB      CYS  34  -1.076  -2.790   2.821
  205    HB3  CYS  34           3HB      CYS  34   0.222  -1.932   3.642
  206    H    TYR  35           H        TYR  35   3.342  -3.340   2.313
  207    HA   TYR  35           HA       TYR  35   3.104  -5.267   4.530
  208    HB2  TYR  35           2HB      TYR  35   4.880  -5.337   2.112
  209    HB3  TYR  35           3HB      TYR  35   5.421  -6.078   3.612
  210    HD1  TYR  35           HD1      TYR  35   3.852  -7.849   4.670
  211    HD2  TYR  35           HD2      TYR  35   3.534  -6.543   0.628
  212    HE1  TYR  35           HE1      TYR  35   2.616  -9.898   4.110
  213    HE2  TYR  35           HE2      TYR  35   2.295  -8.591   0.064
  214    HH   TYR  35           HH       TYR  35   2.028 -10.878   0.917
  215    H    TYR  36           H        TYR  36   4.927  -5.273   6.028
  216    HA   TYR  36           HA       TYR  36   5.937  -2.570   6.472
  217    HB2  TYR  36           2HB      TYR  36   4.782  -4.097   8.240
  218    HB3  TYR  36           3HB      TYR  36   6.352  -4.881   8.348
  219    HD1  TYR  36           HD1      TYR  36   4.461  -1.823   9.046
  220    HD2  TYR  36           HD2      TYR  36   8.255  -3.727   9.327
  221    HE1  TYR  36           HE1      TYR  36   5.205  -0.094  10.628
  222    HE2  TYR  36           HE2      TYR  36   9.009  -2.003  10.911
  223    HH   TYR  36           HH       TYR  36   6.884   0.179  12.403
  224    H    LEU  37           H        LEU  37   8.032  -1.990   6.383
  225    HA   LEU  37           HA       LEU  37   9.951  -3.977   5.405
  226    HB2  LEU  37           2HB      LEU  37   9.906  -0.965   5.313
  227    HB3  LEU  37           3HB      LEU  37  11.337  -1.890   4.904
  228    HG   LEU  37           HG       LEU  37   8.767  -2.474   3.487
  229   HD11  LEU  37          1HD1      LEU  37   9.467  -0.794   1.770
  230   HD12  LEU  37          2HD1      LEU  37  10.613  -0.157   2.949
  231   HD13  LEU  37          3HD1      LEU  37   8.882  -0.103   3.283
  232   HD21  LEU  37          3HD2      LEU  37  10.688  -3.941   3.125
  233   HD22  LEU  37          1HD2      LEU  37  11.669  -2.552   2.656
  234   HD23  LEU  37          2HD2      LEU  37  10.296  -3.039   1.661
  Start of MODEL    2
    1    H1   PCA   1           H        PCA   1 -10.760   7.342   3.479
    2    HA   PCA   1           HA       PCA   1  -9.245   7.487   5.669
    3    HB2  PCA   1           3HB      PCA   1  -9.100   5.127   6.079
    4    HB3  PCA   1           2HB      PCA   1  -7.711   5.199   4.925
    5    HG2  PCA   1           3HG      PCA   1  -9.556   3.790   4.056
    6    HG3  PCA   1           2HG      PCA   1 -10.349   4.012   5.637
    7    H    GLY   2           H        GLY   2  -8.910   6.384   2.299
    8    HA2  GLY   2           2HA      GLY   2  -7.813   7.678   0.622
    9    HA3  GLY   2           3HA      GLY   2  -6.809   8.394   1.873
   10    H    CYS   3           H        CYS   3  -5.523   6.587   3.127
   11    HA   CYS   3           HA       CYS   3  -4.063   5.082   1.077
   12    HB2  CYS   3           2HB      CYS   3  -2.224   5.009   2.705
   13    HB3  CYS   3           3HB      CYS   3  -2.743   6.663   2.400
   14    H    ALA   4           H        ALA   4  -3.353   2.912   1.495
   15    HA   ALA   4           HA       ALA   4  -5.334   1.366   2.976
   16    HB1  ALA   4           3HB      ALA   4  -4.416   0.928   0.551
   17    HB2  ALA   4           1HB      ALA   4  -4.819  -0.413   1.624
   18    HB3  ALA   4           2HB      ALA   4  -3.140   0.084   1.428
   19    H    PHE   5           H        PHE   5  -4.789  -0.291   4.451
   20    HA   PHE   5           HA       PHE   5  -2.334   0.247   5.948
   21    HB2  PHE   5           2HB      PHE   5  -3.463  -1.146   7.755
   22    HB3  PHE   5           3HB      PHE   5  -4.217   0.394   7.381
   23    HD1  PHE   5           HD1      PHE   5  -4.490  -3.264   6.832
   24    HD2  PHE   5           HD2      PHE   5  -6.464   0.506   6.728
   25    HE1  PHE   5           HE1      PHE   5  -6.648  -4.405   6.519
   26    HE2  PHE   5           HE2      PHE   5  -8.623  -0.629   6.413
   27    HZ   PHE   5           HZ       PHE   5  -8.717  -3.087   6.309
   28    H    GLU   6           H        GLU   6  -1.496  -1.831   7.135
   29    HA   GLU   6           HA       GLU   6  -0.329  -3.510   5.201
   30    HB2  GLU   6           2HB      GLU   6   0.456  -2.850   7.592
   31    HB3  GLU   6           3HB      GLU   6  -0.485  -4.238   8.109
   32    HG2  GLU   6           2HG      GLU   6   0.864  -5.673   6.626
   33    HG3  GLU   6           3HG      GLU   6   1.839  -4.270   6.193
   34    H    GLY   7           H        GLY   7  -0.879  -5.407   4.344
   35    HA2  GLY   7           2HA      GLY   7  -1.756  -7.628   4.485
   36    HA3  GLY   7           3HA      GLY   7  -2.908  -7.068   5.679
   37    H    GLU   8           H        GLU   8  -2.871  -4.836   3.170
   38    HA   GLU   8           HA       GLU   8  -4.938  -6.296   1.676
   39    HB2  GLU   8           2HB      GLU   8  -6.371  -4.322   1.580
   40    HB3  GLU   8           3HB      GLU   8  -6.088  -4.804   3.242
   41    HG2  GLU   8           2HG      GLU   8  -4.768  -2.945   3.688
   42    HG3  GLU   8           3HG      GLU   8  -4.431  -2.655   1.982
   43    H    SER   9           H        SER   9  -5.604  -4.831  -0.335
   44    HA   SER   9           HA       SER   9  -3.150  -4.476  -1.858
   45    HB2  SER   9           2HB      SER   9  -4.718  -4.342  -3.816
   46    HB3  SER   9           3HB      SER   9  -4.827  -5.848  -2.906
   47    HG   SER   9           HG       SER   9  -6.703  -3.892  -3.290
   48    H    CYS  10           H        CYS  10  -2.598  -2.636  -2.983
   49    HA   CYS  10           HA       CYS  10  -4.119  -0.178  -2.473
   50    HB2  CYS  10           2HB      CYS  10  -1.840   0.961  -2.118
   51    HB3  CYS  10           3HB      CYS  10  -2.459  -0.026  -0.799
   52    H    ASN  11           H        ASN  11  -4.399   1.002  -4.251
   53    HA   ASN  11           HA       ASN  11  -2.887   0.314  -6.666
   54    HB2  ASN  11           2HB      ASN  11  -5.596   1.392  -6.130
   55    HB3  ASN  11           3HB      ASN  11  -4.788   2.009  -7.568
   56   HD21  ASN  11          1HD2      ASN  11  -4.159   0.536  -9.191
   57   HD22  ASN  11          2HD2      ASN  11  -4.957  -0.987  -9.362
   58    H    VAL  12           H        VAL  12  -1.268   1.541  -7.290
   59    HA   VAL  12           HA       VAL  12  -0.643   4.031  -6.030
   60    HB   VAL  12           HB       VAL  12   1.296   4.121  -7.599
   61   HG11  VAL  12          1HG1      VAL  12   1.478   3.006  -5.443
   62   HG12  VAL  12          2HG1      VAL  12   2.465   2.194  -6.658
   63   HG13  VAL  12          3HG1      VAL  12   0.922   1.496  -6.165
   64   HG21  VAL  12          3HG2      VAL  12   0.332   3.007  -9.545
   65   HG22  VAL  12          1HG2      VAL  12   0.213   1.497  -8.640
   66   HG23  VAL  12          2HG2      VAL  12   1.796   2.177  -9.017
   67    H    GLN  13           H        GLN  13  -3.033   3.652  -8.066
   68    HA   GLN  13           HA       GLN  13  -2.450   5.917  -9.832
   69    HB2  GLN  13           2HB      GLN  13  -3.414   3.649 -10.623
   70    HB3  GLN  13           3HB      GLN  13  -4.923   4.200  -9.915
   71    HG2  GLN  13           2HG      GLN  13  -5.044   6.043 -11.421
   72    HG3  GLN  13           3HG      GLN  13  -3.417   5.729 -12.024
   73   HE21  GLN  13          1HE2      GLN  13  -6.739   4.719 -12.059
   74   HE22  GLN  13          2HE2      GLN  13  -6.617   3.657 -13.416
   75    H    PHE  14           H        PHE  14  -4.474   4.940  -7.136
   76    HA   PHE  14           HA       PHE  14  -5.329   7.680  -6.719
   77    HB2  PHE  14           2HB      PHE  14  -7.788   6.725  -6.428
   78    HB3  PHE  14           3HB      PHE  14  -7.204   7.271  -7.995
   79    HD1  PHE  14           HD1      PHE  14  -8.060   4.342  -5.963
   80    HD2  PHE  14           HD2      PHE  14  -6.775   5.730  -9.772
   81    HE1  PHE  14           HE1      PHE  14  -8.501   2.118  -6.919
   82    HE2  PHE  14           HE2      PHE  14  -7.220   3.514 -10.737
   83    HZ   PHE  14           HZ       PHE  14  -8.070   1.708  -9.307
   84    H    TYR  15           H        TYR  15  -5.049   4.378  -5.575
   85    HA   TYR  15           HA       TYR  15  -5.616   5.348  -2.846
   86    HB2  TYR  15           2HB      TYR  15  -7.200   3.589  -3.997
   87    HB3  TYR  15           3HB      TYR  15  -5.937   2.454  -3.542
   88    HD1  TYR  15           HD1      TYR  15  -8.483   4.789  -2.268
   89    HD2  TYR  15           HD2      TYR  15  -5.613   1.819  -1.246
   90    HE1  TYR  15           HE1      TYR  15  -9.448   4.642  -0.011
   91    HE2  TYR  15           HE2      TYR  15  -6.572   1.664   1.014
   92    HH   TYR  15           HH       TYR  15  -7.898   3.049   2.551
   93    HA   PRO  16           HA       PRO  16  -1.232   3.867  -2.779
   94    HB2  PRO  16           2HB      PRO  16  -0.201   5.903  -1.311
   95    HB3  PRO  16           3HB      PRO  16  -0.459   6.032  -3.060
   96    HG2  PRO  16           2HG      PRO  16  -2.069   7.152  -0.831
   97    HG3  PRO  16           3HG      PRO  16  -1.695   7.847  -2.419
   98    HD2  PRO  16           2HD      PRO  16  -4.082   6.621  -1.763
   99    HD3  PRO  16           3HD      PRO  16  -3.470   6.831  -3.413
  100    H    CYS  17           H        CYS  17   0.287   3.663  -0.744
  101    HA   CYS  17           HA       CYS  17  -1.293   2.415   1.361
  102    HB2  CYS  17           2HB      CYS  17   0.768   1.379   0.198
  103    HB3  CYS  17           3HB      CYS  17   1.714   2.453   1.223
  104    H    CYS  18           H        CYS  18  -0.722   2.743   3.654
  105    HA   CYS  18           HA       CYS  18  -0.563   5.555   4.267
  106    HB2  CYS  18           2HB      CYS  18  -0.832   3.146   6.075
  107    HB3  CYS  18           3HB      CYS  18  -0.939   4.819   6.610
  108    HA   PRO  19           HA       PRO  19   3.909   5.153   5.016
  109    HB2  PRO  19           2HB      PRO  19   4.560   7.742   4.633
  110    HB3  PRO  19           3HB      PRO  19   4.182   6.666   3.276
  111    HG2  PRO  19           2HG      PRO  19   2.517   8.778   4.525
  112    HG3  PRO  19           3HG      PRO  19   2.632   8.283   2.826
  113    HD2  PRO  19           2HD      PRO  19   0.620   7.522   4.600
  114    HD3  PRO  19           3HD      PRO  19   1.000   6.727   3.061
  115    H    GLY  20           H        GLY  20   5.481   6.497   6.454
  116    HA2  GLY  20           2HA      GLY  20   5.800   7.864   8.394
  117    HA3  GLY  20           3HA      GLY  20   4.117   7.596   8.819
  118    H    LEU  21           H        LEU  21   4.062   4.781   8.519
  119    HA   LEU  21           HA       LEU  21   5.405   4.012  10.984
  120    HB2  LEU  21           2HB      LEU  21   3.364   2.594   9.272
  121    HB3  LEU  21           3HB      LEU  21   4.052   1.913  10.731
  122    HG   LEU  21           HG       LEU  21   3.139   4.172  11.793
  123   HD11  LEU  21          1HD1      LEU  21   2.334   5.110   9.695
  124   HD12  LEU  21          2HD1      LEU  21   0.994   4.803  10.801
  125   HD13  LEU  21          3HD1      LEU  21   1.294   3.706   9.453
  126   HD21  LEU  21          3HD2      LEU  21   2.535   1.935  12.516
  127   HD22  LEU  21          1HD2      LEU  21   1.436   1.769  11.147
  128   HD23  LEU  21          2HD2      LEU  21   1.100   2.954  12.408
  129    H    GLY  22           H        GLY  22   5.384   3.119   7.563
  130    HA2  GLY  22           2HA      GLY  22   7.651   2.503   6.700
  131    HA3  GLY  22           3HA      GLY  22   7.729   1.385   8.053
  132    H    LEU  23           H        LEU  23   5.192   2.137   5.670
  133    HA   LEU  23           HA       LEU  23   5.068  -0.734   5.013
  134    HB2  LEU  23           2HB      LEU  23   2.875   1.341   4.873
  135    HB3  LEU  23           3HB      LEU  23   2.711  -0.326   4.365
  136    HG   LEU  23           HG       LEU  23   3.447   0.352   7.202
  137   HD11  LEU  23          1HD1      LEU  23   1.411   1.598   6.680
  138   HD12  LEU  23          2HD1      LEU  23   1.081   0.259   7.780
  139   HD13  LEU  23          3HD1      LEU  23   0.661   0.121   6.073
  140   HD21  LEU  23          3HD2      LEU  23   2.510  -1.812   7.687
  141   HD22  LEU  23          1HD2      LEU  23   3.686  -1.982   6.385
  142   HD23  LEU  23          2HD2      LEU  23   1.961  -1.991   6.020
  143    H    THR  24           H        THR  24   4.736  -1.350   2.853
  144    HA   THR  24           HA       THR  24   5.041   0.717   0.805
  145    HB   THR  24           HB       THR  24   7.327  -0.015   1.246
  146    HG1  THR  24           HG1      THR  24   6.149  -0.796  -1.204
  147   HG21  THR  24          3HG2      THR  24   6.394  -2.806   0.542
  148   HG22  THR  24          1HG2      THR  24   6.925  -2.260   2.132
  149   HG23  THR  24          2HG2      THR  24   8.070  -2.317   0.792
  150    H    CYS  25           H        CYS  25   4.439   0.065  -1.328
  151    HA   CYS  25           HA       CYS  25   2.422  -2.052  -1.343
  152    HB2  CYS  25           2HB      CYS  25   2.947   0.336  -3.106
  153    HB3  CYS  25           3HB      CYS  25   1.846  -0.944  -3.592
  154    H    ILE  26           H        ILE  26   2.829  -3.951  -2.265
  155    HA   ILE  26           HA       ILE  26   4.872  -4.106  -4.378
  156    HB   ILE  26           HB       ILE  26   4.474  -6.174  -2.192
  157   HG12  ILE  26          2HG1      ILE  26   7.048  -4.709  -2.559
  158   HG13  ILE  26          3HG1      ILE  26   5.721  -3.835  -1.804
  159   HG21  ILE  26          1HG2      ILE  26   6.447  -7.282  -3.126
  160   HG22  ILE  26          2HG2      ILE  26   6.526  -6.076  -4.411
  161   HG23  ILE  26          3HG2      ILE  26   5.154  -7.181  -4.322
  162   HD11  ILE  26          3HD1      ILE  26   6.840  -6.458  -0.839
  163   HD12  ILE  26          1HD1      ILE  26   5.581  -5.503  -0.059
  164   HD13  ILE  26          2HD1      ILE  26   7.223  -4.872  -0.170
  165    HA   PRO  27           HA       PRO  27   5.341  -4.947  -6.237
  166    HB2  PRO  27           2HB      PRO  27   4.014  -4.635  -8.783
  167    HB3  PRO  27           3HB      PRO  27   5.239  -5.826  -8.324
  168    HG2  PRO  27           2HG      PRO  27   2.638  -6.433  -8.899
  169    HG3  PRO  27           3HG      PRO  27   3.708  -7.432  -7.896
  170    HD2  PRO  27           2HD      PRO  27   1.554  -5.549  -7.069
  171    HD3  PRO  27           3HD      PRO  27   2.040  -7.097  -6.349
  172    H    GLY  28           H        GLY  28   2.155  -3.563  -7.035
  173    HA2  GLY  28           2HA      GLY  28   1.473  -1.350  -6.668
  174    HA3  GLY  28           3HA      GLY  28   3.151  -0.890  -6.432
  175    H    ASN  29           H        ASN  29   1.970  -2.720  -9.211
  176    HA   ASN  29           HA       ASN  29   1.987  -0.352 -10.897
  177    HB2  ASN  29           2HB      ASN  29   3.524  -1.487 -12.573
  178    HB3  ASN  29           3HB      ASN  29   4.277  -0.856 -11.117
  179   HD21  ASN  29          1HD2      ASN  29   5.125  -2.281  -9.607
  180   HD22  ASN  29          2HD2      ASN  29   5.396  -3.951  -9.958
  181    HA   PRO  30           HA       PRO  30   0.135   0.217 -10.755
  182    HB2  PRO  30           2HB      PRO  30  -2.569   0.349 -10.898
  183    HB3  PRO  30           3HB      PRO  30  -1.518   0.715 -12.276
  184    HG2  PRO  30           2HG      PRO  30  -3.262  -1.599 -11.832
  185    HG3  PRO  30           3HG      PRO  30  -2.609  -0.947 -13.343
  186    HD2  PRO  30           2HD      PRO  30  -1.659  -3.198 -11.842
  187    HD3  PRO  30           3HD      PRO  30  -1.010  -2.539 -13.353
  188    H    ASP  31           H        ASP  31  -1.506  -2.776  -9.949
  189    HA   ASP  31           HA       ASP  31  -2.355  -1.876  -7.326
  190    HB2  ASP  31           2HB      ASP  31  -2.580  -4.530  -8.753
  191    HB3  ASP  31           3HB      ASP  31  -3.154  -4.266  -7.111
  192    H    GLY  32           H        GLY  32  -1.664  -2.736  -5.361
  193    HA2  GLY  32           2HA      GLY  32   0.657  -4.501  -5.304
  194    HA3  GLY  32           3HA      GLY  32   0.899  -2.878  -4.678
  195    H    THR  33           H        THR  33   1.449  -4.561  -2.863
  196    HA   THR  33           HA       THR  33  -0.935  -4.753  -1.134
  197    HB   THR  33           HB       THR  33   1.350  -6.645  -0.729
  198    HG1  THR  33           HG1      THR  33   1.000  -7.519  -2.622
  199   HG21  THR  33          3HG2      THR  33  -1.641  -6.905  -0.365
  200   HG22  THR  33          1HG2      THR  33  -0.471  -6.567   0.911
  201   HG23  THR  33          2HG2      THR  33  -0.442  -8.120   0.077
  202    H    CYS  34           H        CYS  34  -0.682  -4.112   0.991
  203    HA   CYS  34           HA       CYS  34   1.658  -2.472   1.521
  204    HB2  CYS  34           2HB      CYS  34  -1.006  -2.785   2.879
  205    HB3  CYS  34           3HB      CYS  34   0.312  -1.904   3.644
  206    H    TYR  35           H        TYR  35   3.381  -3.332   2.354
  207    HA   TYR  35           HA       TYR  35   3.134  -5.279   4.553
  208    HB2  TYR  35           2HB      TYR  35   4.939  -5.323   2.153
  209    HB3  TYR  35           3HB      TYR  35   5.456  -6.083   3.651
  210    HD1  TYR  35           HD2      TYR  35   3.865  -7.863   4.664
  211    HD2  TYR  35           HD1      TYR  35   3.617  -6.510   0.632
  212    HE1  TYR  35           HE2      TYR  35   2.634  -9.902   4.060
  213    HE2  TYR  35           HE1      TYR  35   2.387  -8.550   0.023
  214    HH   TYR  35           HH       TYR  35   2.101 -10.846   0.847
  215    H    TYR  36           H        TYR  36   4.978  -5.293   6.048
  216    HA   TYR  36           HA       TYR  36   5.951  -2.580   6.520
  217    HB2  TYR  36           2HB      TYR  36   4.811  -4.135   8.274
  218    HB3  TYR  36           3HB      TYR  36   6.391  -4.902   8.378
  219    HD1  TYR  36           HD2      TYR  36   4.485  -1.835   9.052
  220    HD2  TYR  36           HD1      TYR  36   8.257  -3.769   9.417
  221    HE1  TYR  36           HE2      TYR  36   5.208  -0.112  10.650
  222    HE2  TYR  36           HE1      TYR  36   8.990  -2.051  11.016
  223    HH   TYR  36           HH       TYR  36   6.850   0.149  12.460
  224    H    LEU  37           H        LEU  37   8.033  -1.971   6.422
  225    HA   LEU  37           HA       LEU  37   9.980  -3.931   5.443
  226    HB2  LEU  37           2HB      LEU  37   9.894  -0.920   5.354
  227    HB3  LEU  37           3HB      LEU  37  11.337  -1.824   4.944
  228    HG   LEU  37           HG       LEU  37   8.773  -2.437   3.527
  229   HD11  LEU  37          1HD1      LEU  37   9.461  -0.752   1.808
  230   HD12  LEU  37          2HD1      LEU  37  10.599  -0.104   2.989
  231   HD13  LEU  37          3HD1      LEU  37   8.867  -0.066   3.320
  232   HD21  LEU  37          3HD2      LEU  37  11.675  -2.491   2.696
  233   HD22  LEU  37          1HD2      LEU  37  10.307  -2.990   1.701
  234   HD23  LEU  37          2HD2      LEU  37  10.706  -3.888   3.165
  Start of MODEL    3
    1    H1   PCA   1           H        PCA   1 -11.670   7.626   4.199
    2    HA   PCA   1           HA       PCA   1  -9.536   6.758   4.802
    3    HB2  PCA   1           3HB      PCA   1 -10.148   4.440   4.935
    4    HB3  PCA   1           2HB      PCA   1  -9.327   4.324   3.330
    5    HG2  PCA   1           3HG      PCA   1 -11.740   3.783   3.169
    6    HG3  PCA   1           2HG      PCA   1 -11.792   3.894   4.947
    7    H    GLY   2           H        GLY   2  -7.617   7.176   3.751
    8    HA2  GLY   2           2HA      GLY   2  -7.770   7.709   0.855
    9    HA3  GLY   2           3HA      GLY   2  -6.670   8.504   1.970
   10    H    CYS   3           H        CYS   3  -5.384   6.629   3.273
   11    HA   CYS   3           HA       CYS   3  -3.978   5.142   1.172
   12    HB2  CYS   3           2HB      CYS   3  -2.113   5.018   2.771
   13    HB3  CYS   3           3HB      CYS   3  -2.611   6.682   2.490
   14    H    ALA   4           H        ALA   4  -3.273   2.961   1.553
   15    HA   ALA   4           HA       ALA   4  -5.248   1.407   3.036
   16    HB1  ALA   4           3HB      ALA   4  -4.257   1.025   0.583
   17    HB2  ALA   4           1HB      ALA   4  -4.838  -0.298   1.595
   18    HB3  ALA   4           2HB      ALA   4  -3.112   0.050   1.506
   19    H    PHE   5           H        PHE   5  -4.710  -0.244   4.505
   20    HA   PHE   5           HA       PHE   5  -2.216   0.243   5.956
   21    HB2  PHE   5           2HB      PHE   5  -3.345  -1.114   7.791
   22    HB3  PHE   5           3HB      PHE   5  -4.060   0.447   7.428
   23    HD1  PHE   5           HD1      PHE   5  -4.454  -3.202   6.868
   24    HD2  PHE   5           HD2      PHE   5  -6.319   0.625   6.850
   25    HE1  PHE   5           HE1      PHE   5  -6.651  -4.278   6.605
   26    HE2  PHE   5           HE2      PHE   5  -8.518  -0.445   6.585
   27    HZ   PHE   5           HZ       PHE   5  -8.686  -2.898   6.463
   28    H    GLU   6           H        GLU   6  -1.375  -1.819   7.124
   29    HA   GLU   6           HA       GLU   6  -0.273  -3.546   5.212
   30    HB2  GLU   6           2HB      GLU   6   0.473  -2.909   7.643
   31    HB3  GLU   6           3HB      GLU   6  -0.458  -4.326   8.097
   32    HG2  GLU   6           2HG      GLU   6   0.927  -5.685   6.571
   33    HG3  GLU   6           3HG      GLU   6   1.897  -4.256   6.220
   34    H    GLY   7           H        GLY   7  -0.892  -5.406   4.329
   35    HA2  GLY   7           2HA      GLY   7  -1.827  -7.628   4.555
   36    HA3  GLY   7           3HA      GLY   7  -3.048  -6.955   5.618
   37    H    GLU   8           H        GLU   8  -3.416  -4.638   3.677
   38    HA   GLU   8           HA       GLU   8  -5.173  -6.115   1.847
   39    HB2  GLU   8           2HB      GLU   8  -6.515  -4.075   1.670
   40    HB3  GLU   8           3HB      GLU   8  -6.337  -4.573   3.343
   41    HG2  GLU   8           2HG      GLU   8  -4.961  -2.774   3.863
   42    HG3  GLU   8           3HG      GLU   8  -4.528  -2.496   2.176
   43    H    SER   9           H        SER   9  -5.709  -4.626  -0.189
   44    HA   SER   9           HA       SER   9  -3.181  -4.353  -1.617
   45    HB2  SER   9           2HB      SER   9  -4.662  -4.246  -3.645
   46    HB3  SER   9           3HB      SER   9  -4.824  -5.733  -2.712
   47    HG   SER   9           HG       SER   9  -6.862  -4.913  -3.255
   48    H    CYS  10           H        CYS  10  -2.680  -2.554  -2.904
   49    HA   CYS  10           HA       CYS  10  -4.146  -0.064  -2.414
   50    HB2  CYS  10           2HB      CYS  10  -1.836   1.046  -2.106
   51    HB3  CYS  10           3HB      CYS  10  -2.489   0.133  -0.751
   52    H    ASN  11           H        ASN  11  -4.364   1.133  -4.192
   53    HA   ASN  11           HA       ASN  11  -2.875   0.370  -6.603
   54    HB2  ASN  11           2HB      ASN  11  -5.562   1.525  -6.088
   55    HB3  ASN  11           3HB      ASN  11  -4.737   2.075  -7.542
   56   HD21  ASN  11          1HD2      ASN  11  -4.168   0.546  -9.129
   57   HD22  ASN  11          2HD2      ASN  11  -5.004  -0.961  -9.251
   58    H    VAL  12           H        VAL  12  -1.237   1.573  -7.241
   59    HA   VAL  12           HA       VAL  12  -0.553   4.042  -5.981
   60    HB   VAL  12           HB       VAL  12   1.366   4.110  -7.570
   61   HG11  VAL  12          1HG1      VAL  12   1.552   2.956  -5.435
   62   HG12  VAL  12          2HG1      VAL  12   2.506   2.144  -6.676
   63   HG13  VAL  12          3HG1      VAL  12   0.955   1.470  -6.174
   64   HG21  VAL  12          3HG2      VAL  12   0.354   3.049  -9.522
   65   HG22  VAL  12          1HG2      VAL  12   0.213   1.528  -8.640
   66   HG23  VAL  12          2HG2      VAL  12   1.806   2.179  -9.026
   67    H    GLN  13           H        GLN  13  -2.974   3.724  -8.007
   68    HA   GLN  13           HA       GLN  13  -2.361   6.009  -9.739
   69    HB2  GLN  13           2HB      GLN  13  -3.443   3.688 -10.441
   70    HB3  GLN  13           3HB      GLN  13  -4.920   4.474  -9.913
   71    HG2  GLN  13           2HG      GLN  13  -3.087   5.750 -11.918
   72    HG3  GLN  13           3HG      GLN  13  -4.320   4.583 -12.389
   73   HE21  GLN  13          1HE2      GLN  13  -6.503   5.129 -12.159
   74   HE22  GLN  13          2HE2      GLN  13  -7.017   6.770 -11.999
   75    H    PHE  14           H        PHE  14  -4.470   4.978  -7.115
   76    HA   PHE  14           HA       PHE  14  -5.295   7.734  -6.664
   77    HB2  PHE  14           2HB      PHE  14  -7.745   6.760  -6.358
   78    HB3  PHE  14           3HB      PHE  14  -7.172   7.309  -7.929
   79    HD1  PHE  14           HD1      PHE  14  -7.962   4.365  -5.883
   80    HD2  PHE  14           HD2      PHE  14  -6.775   5.781  -9.713
   81    HE1  PHE  14           HE1      PHE  14  -8.387   2.136  -6.833
   82    HE2  PHE  14           HE2      PHE  14  -7.202   3.557 -10.673
   83    HZ   PHE  14           HZ       PHE  14  -7.997   1.734  -9.229
   84    H    TYR  15           H        TYR  15  -4.987   4.436  -5.511
   85    HA   TYR  15           HA       TYR  15  -5.536   5.416  -2.781
   86    HB2  TYR  15           2HB      TYR  15  -7.150   3.676  -3.896
   87    HB3  TYR  15           3HB      TYR  15  -5.886   2.524  -3.488
   88    HD1  TYR  15           HD1      TYR  15  -8.356   4.890  -2.108
   89    HD2  TYR  15           HD2      TYR  15  -5.540   1.826  -1.221
   90    HE1  TYR  15           HE1      TYR  15  -9.271   4.717   0.168
   91    HE2  TYR  15           HE2      TYR  15  -6.449   1.645   1.057
   92    HH   TYR  15           HH       TYR  15  -7.702   3.029   2.656
   93    HA   PRO  16           HA       PRO  16  -1.161   3.908  -2.732
   94    HB2  PRO  16           2HB      PRO  16  -0.115   5.933  -1.258
   95    HB3  PRO  16           3HB      PRO  16  -0.372   6.067  -3.007
   96    HG2  PRO  16           2HG      PRO  16  -1.973   7.193  -0.774
   97    HG3  PRO  16           3HG      PRO  16  -1.596   7.889  -2.361
   98    HD2  PRO  16           2HD      PRO  16  -3.991   6.680  -1.707
   99    HD3  PRO  16           3HD      PRO  16  -3.378   6.886  -3.357
  100    H    CYS  17           H        CYS  17   0.351   3.624  -0.729
  101    HA   CYS  17           HA       CYS  17  -1.236   2.416   1.390
  102    HB2  CYS  17           2HB      CYS  17   0.826   1.373   0.193
  103    HB3  CYS  17           3HB      CYS  17   1.768   2.389   1.279
  104    H    CYS  18           H        CYS  18  -0.609   2.718   3.685
  105    HA   CYS  18           HA       CYS  18  -0.431   5.526   4.305
  106    HB2  CYS  18           2HB      CYS  18  -0.690   3.107   6.099
  107    HB3  CYS  18           3HB      CYS  18  -0.767   4.776   6.653
  108    HA   PRO  19           HA       PRO  19   4.049   5.116   4.985
  109    HB2  PRO  19           2HB      PRO  19   4.696   7.707   4.607
  110    HB3  PRO  19           3HB      PRO  19   4.300   6.637   3.250
  111    HG2  PRO  19           2HG      PRO  19   2.653   8.745   4.529
  112    HG3  PRO  19           3HG      PRO  19   2.743   8.254   2.827
  113    HD2  PRO  19           2HD      PRO  19   0.757   7.489   4.629
  114    HD3  PRO  19           3HD      PRO  19   1.112   6.699   3.081
  115    H    GLY  20           H        GLY  20   5.642   6.459   6.407
  116    HA2  GLY  20           2HA      GLY  20   6.013   7.785   8.354
  117    HA3  GLY  20           3HA      GLY  20   4.323   7.575   8.784
  118    H    LEU  21           H        LEU  21   4.147   4.777   8.508
  119    HA   LEU  21           HA       LEU  21   5.491   3.956  10.955
  120    HB2  LEU  21           2HB      LEU  21   3.367   2.627   9.272
  121    HB3  LEU  21           3HB      LEU  21   4.049   1.912  10.718
  122    HG   LEU  21           HG       LEU  21   3.250   4.202  11.802
  123   HD11  LEU  21          1HD1      LEU  21   1.350   3.828   9.489
  124   HD12  LEU  21          2HD1      LEU  21   2.455   5.184   9.719
  125   HD13  LEU  21          3HD1      LEU  21   1.121   4.933  10.845
  126   HD21  LEU  21          3HD2      LEU  21   1.169   3.072  12.443
  127   HD22  LEU  21          1HD2      LEU  21   2.559   1.990  12.525
  128   HD23  LEU  21          2HD2      LEU  21   1.434   1.879  11.172
  129    H    GLY  22           H        GLY  22   5.389   3.058   7.536
  130    HA2  GLY  22           2HA      GLY  22   7.621   2.352   6.650
  131    HA3  GLY  22           3HA      GLY  22   7.667   1.231   8.002
  132    H    LEU  23           H        LEU  23   5.208   2.098   5.571
  133    HA   LEU  23           HA       LEU  23   4.960  -0.768   4.924
  134    HB2  LEU  23           2HB      LEU  23   2.814   1.357   4.820
  135    HB3  LEU  23           3HB      LEU  23   2.608  -0.309   4.324
  136    HG   LEU  23           HG       LEU  23   3.382   0.389   7.149
  137   HD11  LEU  23          1HD1      LEU  23   1.023   0.312   7.747
  138   HD12  LEU  23          2HD1      LEU  23   0.586   0.140   6.047
  139   HD13  LEU  23          3HD1      LEU  23   1.342   1.629   6.618
  140   HD21  LEU  23          3HD2      LEU  23   3.605  -1.961   6.346
  141   HD22  LEU  23          1HD2      LEU  23   1.872  -1.967   6.022
  142   HD23  LEU  23          2HD2      LEU  23   2.462  -1.767   7.673
  143    H    THR  24           H        THR  24   4.678  -1.368   2.777
  144    HA   THR  24           HA       THR  24   4.934   0.710   0.734
  145    HB   THR  24           HB       THR  24   7.236   0.024   1.169
  146    HG1  THR  24           HG1      THR  24   7.656   0.015  -0.911
  147   HG21  THR  24          3HG2      THR  24   8.027  -2.258   0.711
  148   HG22  THR  24          1HG2      THR  24   6.363  -2.783   0.450
  149   HG23  THR  24          2HG2      THR  24   6.875  -2.235   2.046
  150    H    CYS  25           H        CYS  25   4.338   0.053  -1.398
  151    HA   CYS  25           HA       CYS  25   2.368  -2.104  -1.416
  152    HB2  CYS  25           2HB      CYS  25   2.859   0.256  -3.236
  153    HB3  CYS  25           3HB      CYS  25   1.703  -1.010  -3.611
  154    H    ILE  26           H        ILE  26   2.932  -4.018  -2.224
  155    HA   ILE  26           HA       ILE  26   4.942  -4.116  -4.377
  156    HB   ILE  26           HB       ILE  26   4.588  -6.210  -2.209
  157   HG12  ILE  26          2HG1      ILE  26   7.108  -4.637  -2.528
  158   HG13  ILE  26          3HG1      ILE  26   5.741  -3.841  -1.757
  159   HG21  ILE  26          1HG2      ILE  26   5.331  -7.166  -4.340
  160   HG22  ILE  26          2HG2      ILE  26   6.615  -7.232  -3.133
  161   HG23  ILE  26          3HG2      ILE  26   6.661  -6.008  -4.402
  162   HD11  ILE  26          3HD1      ILE  26   6.982  -6.431  -0.855
  163   HD12  ILE  26          1HD1      ILE  26   5.663  -5.571  -0.062
  164   HD13  ILE  26          2HD1      ILE  26   7.269  -4.847  -0.136
  165    HA   PRO  27           HA       PRO  27   5.420  -4.913  -6.246
  166    HB2  PRO  27           2HB      PRO  27   4.072  -4.602  -8.779
  167    HB3  PRO  27           3HB      PRO  27   5.329  -5.769  -8.343
  168    HG2  PRO  27           2HG      PRO  27   2.735  -6.428  -8.912
  169    HG3  PRO  27           3HG      PRO  27   3.841  -7.419  -7.941
  170    HD2  PRO  27           2HD      PRO  27   1.643  -5.616  -7.051
  171    HD3  PRO  27           3HD      PRO  27   2.188  -7.161  -6.367
  172    H    GLY  28           H        GLY  28   2.189  -3.607  -6.997
  173    HA2  GLY  28           2HA      GLY  28   1.446  -1.419  -6.620
  174    HA3  GLY  28           3HA      GLY  28   3.109  -0.918  -6.361
  175    H    ASN  29           H        ASN  29   1.971  -2.735  -9.168
  176    HA   ASN  29           HA       ASN  29   1.990  -0.346 -10.828
  177    HB2  ASN  29           2HB      ASN  29   3.506  -1.519 -12.521
  178    HB3  ASN  29           3HB      ASN  29   4.265  -0.847 -11.087
  179   HD21  ASN  29          1HD2      ASN  29   3.455  -3.725 -12.824
  180   HD22  ASN  29          2HD2      ASN  29   4.386  -4.821 -11.867
  181    HA   PRO  30           HA       PRO  30   0.137   0.244 -10.680
  182    HB2  PRO  30           2HB      PRO  30  -2.569   0.378 -10.773
  183    HB3  PRO  30           3HB      PRO  30  -1.542   0.759 -12.164
  184    HG2  PRO  30           2HG      PRO  30  -3.277  -1.561 -11.713
  185    HG3  PRO  30           3HG      PRO  30  -2.654  -0.891 -13.229
  186    HD2  PRO  30           2HD      PRO  30  -1.676  -3.161 -11.780
  187    HD3  PRO  30           3HD      PRO  30  -1.048  -2.474 -13.288
  188    H    ASP  31           H        ASP  31  -1.510  -2.748  -9.865
  189    HA   ASP  31           HA       ASP  31  -2.293  -1.857  -7.218
  190    HB2  ASP  31           2HB      ASP  31  -2.581  -4.493  -8.666
  191    HB3  ASP  31           3HB      ASP  31  -3.103  -4.248  -7.003
  192    H    GLY  32           H        GLY  32  -1.562  -2.715  -5.275
  193    HA2  GLY  32           2HA      GLY  32   0.665  -4.577  -5.221
  194    HA3  GLY  32           3HA      GLY  32   1.058  -2.938  -4.723
  195    H    THR  33           H        THR  33   1.302  -5.177  -3.040
  196    HA   THR  33           HA       THR  33  -0.959  -4.969  -1.180
  197    HB   THR  33           HB       THR  33   1.344  -6.800  -0.645
  198    HG1  THR  33           HG1      THR  33   0.159  -8.371  -2.022
  199   HG21  THR  33          3HG2      THR  33  -1.651  -7.086  -0.337
  200   HG22  THR  33          1HG2      THR  33  -0.511  -6.678   0.946
  201   HG23  THR  33          2HG2      THR  33  -0.449  -8.267   0.183
  202    H    CYS  34           H        CYS  34  -0.720  -4.265   0.934
  203    HA   CYS  34           HA       CYS  34   1.581  -2.550   1.408
  204    HB2  CYS  34           2HB      CYS  34  -1.115  -2.847   2.681
  205    HB3  CYS  34           3HB      CYS  34   0.170  -2.011   3.544
  206    H    TYR  35           H        TYR  35   3.327  -3.410   2.232
  207    HA   TYR  35           HA       TYR  35   3.095  -5.272   4.506
  208    HB2  TYR  35           2HB      TYR  35   4.912  -5.381   2.114
  209    HB3  TYR  35           3HB      TYR  35   5.404  -6.114   3.633
  210    HD1  TYR  35           HD1      TYR  35   3.693  -7.813   4.678
  211    HD2  TYR  35           HD2      TYR  35   3.696  -6.641   0.582
  212    HE1  TYR  35           HE1      TYR  35   2.462  -9.859   4.096
  213    HE2  TYR  35           HE2      TYR  35   2.462  -8.686  -0.004
  214    HH   TYR  35           HH       TYR  35   2.089 -10.937   0.903
  215    H    TYR  36           H        TYR  36   4.958  -5.250   5.979
  216    HA   TYR  36           HA       TYR  36   5.925  -2.525   6.389
  217    HB2  TYR  36           2HB      TYR  36   4.814  -4.026   8.190
  218    HB3  TYR  36           3HB      TYR  36   6.376  -4.831   8.271
  219    HD1  TYR  36           HD2      TYR  36   4.536  -1.750   9.004
  220    HD2  TYR  36           HD1      TYR  36   8.313  -3.697   9.207
  221    HE1  TYR  36           HE2      TYR  36   5.333  -0.030  10.569
  222    HE2  TYR  36           HE1      TYR  36   9.120  -1.982  10.773
  223    HH   TYR  36           HH       TYR  36   8.604   0.342  11.385
  224    H    LEU  37           H        LEU  37   8.021  -1.919   6.320
  225    HA   LEU  37           HA       LEU  37   9.952  -3.872   5.298
  226    HB2  LEU  37           2HB      LEU  37   9.868  -0.861   5.238
  227    HB3  LEU  37           3HB      LEU  37  11.311  -1.761   4.813
  228    HG   LEU  37           HG       LEU  37   8.746  -2.376   3.403
  229   HD11  LEU  37          1HD1      LEU  37  10.539  -0.015   2.879
  230   HD12  LEU  37          2HD1      LEU  37   8.810   0.000   3.227
  231   HD13  LEU  37          3HD1      LEU  37   9.397  -0.662   1.702
  232   HD21  LEU  37          3HD2      LEU  37  10.276  -2.886   1.561
  233   HD22  LEU  37          1HD2      LEU  37  10.695  -3.797   3.013
  234   HD23  LEU  37          2HD2      LEU  37  11.644  -2.382   2.555
  Start of MODEL    4
    1    H1   PCA   1           H        PCA   1  -9.110  11.318   3.442
    2    HA   PCA   1           HA       PCA   1  -6.575  10.493   3.413
    3    HB2  PCA   1           3HB      PCA   1  -6.284  10.366   5.793
    4    HB3  PCA   1           2HB      PCA   1  -6.985   8.712   5.603
    5    HG2  PCA   1           3HG      PCA   1  -8.430  10.168   6.995
    6    HG3  PCA   1           2HG      PCA   1  -7.132  11.387   6.907
    7    H    GLY   2           H        GLY   2  -6.299   8.524   2.379
    8    HA2  GLY   2           2HA      GLY   2  -8.360   6.476   2.467
    9    HA3  GLY   2           3HA      GLY   2  -8.170   7.284   0.918
   10    H    CYS   3           H        CYS   3  -5.922   6.055   3.396
   11    HA   CYS   3           HA       CYS   3  -4.376   4.754   1.263
   12    HB2  CYS   3           2HB      CYS   3  -2.515   4.722   2.867
   13    HB3  CYS   3           3HB      CYS   3  -3.126   6.355   2.628
   14    H    ALA   4           H        ALA   4  -3.532   2.616   1.603
   15    HA   ALA   4           HA       ALA   4  -5.409   0.908   3.046
   16    HB1  ALA   4           3HB      ALA   4  -4.255   0.676   0.582
   17    HB2  ALA   4           1HB      ALA   4  -4.991  -0.651   1.482
   18    HB3  ALA   4           2HB      ALA   4  -3.249  -0.393   1.559
   19    H    PHE   5           H        PHE   5  -4.784  -0.705   4.504
   20    HA   PHE   5           HA       PHE   5  -2.303  -0.115   5.939
   21    HB2  PHE   5           2HB      PHE   5  -3.354  -1.544   7.769
   22    HB3  PHE   5           3HB      PHE   5  -4.139  -0.011   7.429
   23    HD1  PHE   5           HD2      PHE   5  -4.378  -3.668   6.834
   24    HD2  PHE   5           HD1      PHE   5  -6.408   0.074   6.868
   25    HE1  PHE   5           HE2      PHE   5  -6.528  -4.835   6.575
   26    HE2  PHE   5           HE1      PHE   5  -8.561  -1.088   6.613
   27    HZ   PHE   5           HZ       PHE   5  -8.623  -3.545   6.465
   28    H    GLU   6           H        GLU   6  -1.335  -2.128   7.071
   29    HA   GLU   6           HA       GLU   6  -0.165  -3.782   5.145
   30    HB2  GLU   6           2HB      GLU   6   0.558  -3.142   7.577
   31    HB3  GLU   6           3HB      GLU   6  -0.316  -4.597   8.026
   32    HG2  GLU   6           2HG      GLU   6   1.122  -5.880   6.462
   33    HG3  GLU   6           3HG      GLU   6   2.049  -4.410   6.173
   34    H    GLY   7           H        GLY   7  -0.727  -5.627   4.203
   35    HA2  GLY   7           2HA      GLY   7  -1.539  -7.905   4.398
   36    HA3  GLY   7           3HA      GLY   7  -2.784  -7.316   5.481
   37    H    GLU   8           H        GLU   8  -3.168  -4.977   3.476
   38    HA   GLU   8           HA       GLU   8  -4.898  -6.524   1.669
   39    HB2  GLU   8           2HB      GLU   8  -6.346  -4.558   1.515
   40    HB3  GLU   8           3HB      GLU   8  -6.140  -5.063   3.182
   41    HG2  GLU   8           2HG      GLU   8  -4.786  -3.215   3.689
   42    HG3  GLU   8           3HG      GLU   8  -4.507  -2.848   1.988
   43    H    SER   9           H        SER   9  -5.502  -5.082  -0.365
   44    HA   SER   9           HA       SER   9  -2.993  -4.655  -1.784
   45    HB2  SER   9           2HB      SER   9  -5.840  -4.796  -2.801
   46    HB3  SER   9           3HB      SER   9  -4.402  -4.668  -3.814
   47    HG   SER   9           HG       SER   9  -5.309  -6.827  -2.267
   48    H    CYS  10           H        CYS  10  -2.453  -2.791  -2.870
   49    HA   CYS  10           HA       CYS  10  -4.106  -0.404  -2.417
   50    HB2  CYS  10           2HB      CYS  10  -1.885   0.832  -2.028
   51    HB3  CYS  10           3HB      CYS  10  -2.491  -0.171  -0.716
   52    H    ASN  11           H        ASN  11  -4.387   0.794  -4.182
   53    HA   ASN  11           HA       ASN  11  -2.796   0.188  -6.567
   54    HB2  ASN  11           2HB      ASN  11  -5.581   1.076  -6.101
   55    HB3  ASN  11           3HB      ASN  11  -4.780   1.762  -7.512
   56   HD21  ASN  11          1HD2      ASN  11  -4.078   0.383  -9.162
   57   HD22  ASN  11          2HD2      ASN  11  -4.735  -1.203  -9.351
   58    H    VAL  12           H        VAL  12  -1.251   1.510  -7.169
   59    HA   VAL  12           HA       VAL  12  -0.792   4.018  -5.872
   60    HB   VAL  12           HB       VAL  12   1.178   4.234  -7.367
   61   HG11  VAL  12          1HG1      VAL  12   1.327   3.012  -5.249
   62   HG12  VAL  12          2HG1      VAL  12   2.428   2.362  -6.464
   63   HG13  VAL  12          3HG1      VAL  12   0.927   1.514  -6.092
   64   HG21  VAL  12          3HG2      VAL  12   1.807   2.381  -8.854
   65   HG22  VAL  12          1HG2      VAL  12   0.319   3.165  -9.386
   66   HG23  VAL  12          2HG2      VAL  12   0.248   1.613  -8.552
   67    H    GLN  13           H        GLN  13  -3.129   3.534  -7.946
   68    HA   GLN  13           HA       GLN  13  -2.632   5.887  -9.634
   69    HB2  GLN  13           2HB      GLN  13  -3.378   3.525 -10.506
   70    HB3  GLN  13           3HB      GLN  13  -4.971   4.046  -9.988
   71    HG2  GLN  13           2HG      GLN  13  -4.918   4.603 -12.239
   72    HG3  GLN  13           3HG      GLN  13  -4.548   6.126 -11.433
   73   HE21  GLN  13          1HE2      GLN  13  -2.461   6.960 -11.553
   74   HE22  GLN  13          2HE2      GLN  13  -1.315   6.407 -12.722
   75    H    PHE  14           H        PHE  14  -4.714   4.648  -7.096
   76    HA   PHE  14           HA       PHE  14  -5.882   7.292  -6.743
   77    HB2  PHE  14           2HB      PHE  14  -8.208   6.072  -6.479
   78    HB3  PHE  14           3HB      PHE  14  -7.649   6.599  -8.061
   79    HD1  PHE  14           HD1      PHE  14  -8.223   3.704  -5.889
   80    HD2  PHE  14           HD2      PHE  14  -7.010   5.023  -9.744
   81    HE1  PHE  14           HE1      PHE  14  -8.399   1.398  -6.726
   82    HE2  PHE  14           HE2      PHE  14  -7.186   2.721 -10.593
   83    HZ   PHE  14           HZ       PHE  14  -7.872   0.908  -9.079
   84    H    TYR  15           H        TYR  15  -5.207   4.089  -5.490
   85    HA   TYR  15           HA       TYR  15  -5.877   5.084  -2.797
   86    HB2  TYR  15           2HB      TYR  15  -7.428   3.276  -3.827
   87    HB3  TYR  15           3HB      TYR  15  -6.101   2.170  -3.501
   88    HD1  TYR  15           HD2      TYR  15  -8.539   4.471  -1.928
   89    HD2  TYR  15           HD1      TYR  15  -5.702   1.362  -1.300
   90    HE1  TYR  15           HE2      TYR  15  -9.348   4.207   0.379
   91    HE2  TYR  15           HE1      TYR  15  -6.507   1.088   1.007
   92    HH   TYR  15           HH       TYR  15  -7.677   2.409   2.719
   93    HA   PRO  16           HA       PRO  16  -1.429   3.831  -2.664
   94    HB2  PRO  16           2HB      PRO  16  -0.549   5.884  -1.122
   95    HB3  PRO  16           3HB      PRO  16  -0.780   6.044  -2.873
   96    HG2  PRO  16           2HG      PRO  16  -2.501   7.001  -0.649
   97    HG3  PRO  16           3HG      PRO  16  -2.133   7.766  -2.207
   98    HD2  PRO  16           2HD      PRO  16  -4.459   6.392  -1.655
   99    HD3  PRO  16           3HD      PRO  16  -3.812   6.668  -3.281
  100    H    CYS  17           H        CYS  17   0.057   3.571  -0.657
  101    HA   CYS  17           HA       CYS  17  -1.485   2.231   1.416
  102    HB2  CYS  17           2HB      CYS  17   0.612   1.292   0.232
  103    HB3  CYS  17           3HB      CYS  17   1.521   2.368   1.287
  104    H    CYS  18           H        CYS  18  -0.876   2.502   3.726
  105    HA   CYS  18           HA       CYS  18  -0.864   5.298   4.421
  106    HB2  CYS  18           2HB      CYS  18  -0.976   2.824   6.157
  107    HB3  CYS  18           3HB      CYS  18  -1.167   4.472   6.744
  108    HA   PRO  19           HA       PRO  19   3.632   5.126   5.108
  109    HB2  PRO  19           2HB      PRO  19   4.134   7.755   4.785
  110    HB3  PRO  19           3HB      PRO  19   3.799   6.694   3.404
  111    HG2  PRO  19           2HG      PRO  19   2.037   8.681   4.725
  112    HG3  PRO  19           3HG      PRO  19   2.155   8.232   3.013
  113    HD2  PRO  19           2HD      PRO  19   0.214   7.320   4.797
  114    HD3  PRO  19           3HD      PRO  19   0.611   6.587   3.232
  115    H    GLY  20           H        GLY  20   5.144   6.521   6.564
  116    HA2  GLY  20           2HA      GLY  20   5.424   7.840   8.536
  117    HA3  GLY  20           3HA      GLY  20   3.754   7.503   8.962
  118    H    LEU  21           H        LEU  21   3.788   4.699   8.614
  119    HA   LEU  21           HA       LEU  21   5.177   3.926  11.051
  120    HB2  LEU  21           2HB      LEU  21   3.171   2.478   9.322
  121    HB3  LEU  21           3HB      LEU  21   3.898   1.784  10.757
  122    HG   LEU  21           HG       LEU  21   2.920   3.980  11.888
  123   HD11  LEU  21          1HD1      LEU  21   1.066   3.517   9.553
  124   HD12  LEU  21          2HD1      LEU  21   2.064   4.947   9.821
  125   HD13  LEU  21          3HD1      LEU  21   0.748   4.570  10.933
  126   HD21  LEU  21          3HD2      LEU  21   0.927   2.680  12.486
  127   HD22  LEU  21          1HD2      LEU  21   2.396   1.706  12.554
  128   HD23  LEU  21          2HD2      LEU  21   1.291   1.541  11.190
  129    H    GLY  22           H        GLY  22   5.165   3.100   7.613
  130    HA2  GLY  22           2HA      GLY  22   7.447   2.586   6.725
  131    HA3  GLY  22           3HA      GLY  22   7.577   1.448   8.057
  132    H    LEU  23           H        LEU  23   5.031   2.151   5.665
  133    HA   LEU  23           HA       LEU  23   5.012  -0.714   4.968
  134    HB2  LEU  23           2HB      LEU  23   2.732   1.269   4.879
  135    HB3  LEU  23           3HB      LEU  23   2.638  -0.390   4.327
  136    HG   LEU  23           HG       LEU  23   3.352   0.242   7.181
  137   HD11  LEU  23          1HD1      LEU  23   0.574  -0.070   6.049
  138   HD12  LEU  23          2HD1      LEU  23   1.266   1.418   6.696
  139   HD13  LEU  23          3HD1      LEU  23   0.992   0.038   7.759
  140   HD21  LEU  23          3HD2      LEU  23   3.669  -2.063   6.266
  141   HD22  LEU  23          1HD2      LEU  23   1.933  -2.125   5.966
  142   HD23  LEU  23          2HD2      LEU  23   2.539  -1.969   7.615
  143    H    THR  24           H        THR  24   4.732  -1.306   2.804
  144    HA   THR  24           HA       THR  24   4.924   0.807   0.790
  145    HB   THR  24           HB       THR  24   7.245   0.188   1.222
  146    HG1  THR  24           HG1      THR  24   7.440   0.483  -0.849
  147   HG21  THR  24          3HG2      THR  24   6.943  -2.095   2.067
  148   HG22  THR  24          1HG2      THR  24   8.111  -2.059   0.745
  149   HG23  THR  24          2HG2      THR  24   6.470  -2.635   0.457
  150    H    CYS  25           H        CYS  25   4.356   0.155  -1.356
  151    HA   CYS  25           HA       CYS  25   2.447  -2.057  -1.399
  152    HB2  CYS  25           2HB      CYS  25   2.873   0.344  -3.176
  153    HB3  CYS  25           3HB      CYS  25   1.784  -0.965  -3.607
  154    H    ILE  26           H        ILE  26   2.941  -3.926  -2.341
  155    HA   ILE  26           HA       ILE  26   5.005  -3.963  -4.440
  156    HB   ILE  26           HB       ILE  26   4.662  -6.080  -2.293
  157   HG12  ILE  26          2HG1      ILE  26   7.184  -4.515  -2.622
  158   HG13  ILE  26          3HG1      ILE  26   5.822  -3.709  -1.855
  159   HG21  ILE  26          1HG2      ILE  26   6.678  -7.107  -3.228
  160   HG22  ILE  26          2HG2      ILE  26   6.726  -5.880  -4.494
  161   HG23  ILE  26          3HG2      ILE  26   5.392  -7.032  -4.433
  162   HD11  ILE  26          3HD1      ILE  26   7.076  -6.289  -0.939
  163   HD12  ILE  26          1HD1      ILE  26   5.735  -5.452  -0.160
  164   HD13  ILE  26          2HD1      ILE  26   7.328  -4.699  -0.218
  165    HA   PRO  27           HA       PRO  27   5.521  -4.733  -6.311
  166    HB2  PRO  27           2HB      PRO  27   4.203  -4.421  -8.863
  167    HB3  PRO  27           3HB      PRO  27   5.477  -5.567  -8.419
  168    HG2  PRO  27           2HG      PRO  27   2.914  -6.280  -9.032
  169    HG3  PRO  27           3HG      PRO  27   4.015  -7.247  -8.031
  170    HD2  PRO  27           2HD      PRO  27   1.774  -5.467  -7.202
  171    HD3  PRO  27           3HD      PRO  27   2.308  -7.011  -6.506
  172    H    GLY  28           H        GLY  28   2.287  -3.459  -7.117
  173    HA2  GLY  28           2HA      GLY  28   1.518  -1.280  -6.717
  174    HA3  GLY  28           3HA      GLY  28   3.175  -0.763  -6.449
  175    H    ASN  29           H        ASN  29   2.116  -2.594  -9.267
  176    HA   ASN  29           HA       ASN  29   2.098  -0.202 -10.924
  177    HB2  ASN  29           2HB      ASN  29   3.649  -1.351 -12.603
  178    HB3  ASN  29           3HB      ASN  29   4.384  -0.666 -11.162
  179   HD21  ASN  29          1HD2      ASN  29   3.632  -3.560 -12.901
  180   HD22  ASN  29          2HD2      ASN  29   4.574  -4.639 -11.935
  181    HA   PRO  30           HA       PRO  30   0.234   0.340 -10.756
  182    HB2  PRO  30           2HB      PRO  30  -2.468   0.447 -10.899
  183    HB3  PRO  30           3HB      PRO  30  -1.423   0.840 -12.274
  184    HG2  PRO  30           2HG      PRO  30  -3.141  -1.499 -11.851
  185    HG3  PRO  30           3HG      PRO  30  -2.506  -0.819 -13.357
  186    HD2  PRO  30           2HD      PRO  30  -1.520  -3.079 -11.896
  187    HD3  PRO  30           3HD      PRO  30  -0.884  -2.387 -13.399
  188    H    ASP  31           H        ASP  31  -1.361  -2.691  -9.991
  189    HA   ASP  31           HA       ASP  31  -2.157  -1.798  -7.343
  190    HB2  ASP  31           2HB      ASP  31  -3.120  -4.118  -7.142
  191    HB3  ASP  31           3HB      ASP  31  -3.795  -3.142  -8.437
  192    H    GLY  32           H        GLY  32  -1.542  -2.819  -5.402
  193    HA2  GLY  32           2HA      GLY  32   0.726  -4.638  -5.412
  194    HA3  GLY  32           3HA      GLY  32   1.042  -3.040  -4.757
  195    H    THR  33           H        THR  33   1.574  -4.645  -2.942
  196    HA   THR  33           HA       THR  33  -0.808  -4.929  -1.225
  197    HB   THR  33           HB       THR  33   1.566  -6.702  -0.793
  198    HG1  THR  33           HG1      THR  33   1.241  -7.273  -2.868
  199   HG21  THR  33          3HG2      THR  33  -0.258  -6.717   0.837
  200   HG22  THR  33          1HG2      THR  33  -0.166  -8.265  -0.004
  201   HG23  THR  33          2HG2      THR  33  -1.412  -7.097  -0.442
  202    H    CYS  34           H        CYS  34  -0.593  -4.316   0.916
  203    HA   CYS  34           HA       CYS  34   1.636  -2.532   1.464
  204    HB2  CYS  34           2HB      CYS  34  -1.025  -3.015   2.770
  205    HB3  CYS  34           3HB      CYS  34   0.228  -2.104   3.603
  206    H    TYR  35           H        TYR  35   3.416  -3.349   2.250
  207    HA   TYR  35           HA       TYR  35   3.273  -5.317   4.440
  208    HB2  TYR  35           2HB      TYR  35   5.057  -5.251   2.027
  209    HB3  TYR  35           3HB      TYR  35   5.630  -5.992   3.515
  210    HD1  TYR  35           HD2      TYR  35   4.145  -7.858   4.533
  211    HD2  TYR  35           HD1      TYR  35   3.784  -6.498   0.513
  212    HE1  TYR  35           HE2      TYR  35   3.014  -9.955   3.930
  213    HE2  TYR  35           HE1      TYR  35   2.655  -8.596  -0.095
  214    HH   TYR  35           HH       TYR  35   1.476 -10.789   2.206
  215    H    TYR  36           H        TYR  36   5.113  -5.263   5.930
  216    HA   TYR  36           HA       TYR  36   5.970  -2.517   6.434
  217    HB2  TYR  36           2HB      TYR  36   4.903  -4.132   8.172
  218    HB3  TYR  36           3HB      TYR  36   6.507  -4.851   8.254
  219    HD1  TYR  36           HD2      TYR  36   4.500  -1.877   9.016
  220    HD2  TYR  36           HD1      TYR  36   8.355  -3.658   9.274
  221    HE1  TYR  36           HE2      TYR  36   5.179  -0.158  10.637
  222    HE2  TYR  36           HE1      TYR  36   9.045  -1.944  10.896
  223    HH   TYR  36           HH       TYR  36   8.409   0.342  11.543
  224    H    LEU  37           H        LEU  37   8.033  -1.823   6.368
  225    HA   LEU  37           HA       LEU  37  10.053  -3.677   5.333
  226    HB2  LEU  37           2HB      LEU  37   9.841  -0.672   5.322
  227    HB3  LEU  37           3HB      LEU  37  11.326  -1.500   4.898
  228    HG   LEU  37           HG       LEU  37   8.800  -2.194   3.450
  229   HD11  LEU  37          1HD1      LEU  37   9.417  -0.434   1.779
  230   HD12  LEU  37          2HD1      LEU  37  10.515   0.236   2.985
  231   HD13  LEU  37          3HD1      LEU  37   8.781   0.184   3.304
  232   HD21  LEU  37          3HD2      LEU  37  10.801  -3.542   3.063
  233   HD22  LEU  37          1HD2      LEU  37  11.706  -2.089   2.636
  234   HD23  LEU  37          2HD2      LEU  37  10.368  -2.626   1.620
  Start of MODEL    5
    1    H1   PCA   1           H        PCA   1  -7.590  12.106   1.932
    2    HA   PCA   1           HA       PCA   1  -6.369  10.469   3.157
    3    HB2  PCA   1           3HB      PCA   1  -7.184  11.019   5.347
    4    HB3  PCA   1           2HB      PCA   1  -8.211   9.549   5.130
    5    HG2  PCA   1           3HG      PCA   1  -9.581  11.604   5.341
    6    HG3  PCA   1           2HG      PCA   1  -8.064  12.471   5.693
    7    H    GLY   2           H        GLY   2  -6.285   8.291   2.692
    8    HA2  GLY   2           2HA      GLY   2  -8.353   6.459   2.533
    9    HA3  GLY   2           3HA      GLY   2  -8.226   7.174   0.934
   10    H    CYS   3           H        CYS   3  -5.887   6.102   3.401
   11    HA   CYS   3           HA       CYS   3  -4.359   4.746   1.297
   12    HB2  CYS   3           2HB      CYS   3  -2.506   4.726   2.907
   13    HB3  CYS   3           3HB      CYS   3  -3.121   6.357   2.664
   14    H    ALA   4           H        ALA   4  -3.524   2.608   1.648
   15    HA   ALA   4           HA       ALA   4  -5.413   0.908   3.080
   16    HB1  ALA   4           3HB      ALA   4  -3.158  -0.236   1.524
   17    HB2  ALA   4           1HB      ALA   4  -4.430   0.611   0.640
   18    HB3  ALA   4           2HB      ALA   4  -4.831  -0.776   1.654
   19    H    PHE   5           H        PHE   5  -4.790  -0.737   4.522
   20    HA   PHE   5           HA       PHE   5  -2.354  -0.123   6.022
   21    HB2  PHE   5           2HB      PHE   5  -3.414  -1.598   7.805
   22    HB3  PHE   5           3HB      PHE   5  -4.235  -0.085   7.465
   23    HD1  PHE   5           HD2      PHE   5  -4.354  -3.741   6.855
   24    HD2  PHE   5           HD1      PHE   5  -6.486  -0.057   6.810
   25    HE1  PHE   5           HE2      PHE   5  -6.461  -4.968   6.525
   26    HE2  PHE   5           HE1      PHE   5  -8.597  -1.278   6.485
   27    HZ   PHE   5           HZ       PHE   5  -8.585  -3.736   6.341
   28    H    GLU   6           H        GLU   6  -1.419  -2.186   7.160
   29    HA   GLU   6           HA       GLU   6  -0.196  -3.775   5.184
   30    HB2  GLU   6           2HB      GLU   6   0.569  -3.131   7.590
   31    HB3  GLU   6           3HB      GLU   6  -0.300  -4.577   8.075
   32    HG2  GLU   6           2HG      GLU   6   1.109  -5.899   6.535
   33    HG3  GLU   6           3HG      GLU   6   2.020  -4.438   6.159
   34    H    GLY   7           H        GLY   7  -0.702  -5.655   4.270
   35    HA2  GLY   7           2HA      GLY   7  -1.480  -7.917   4.363
   36    HA3  GLY   7           3HA      GLY   7  -2.629  -7.441   5.596
   37    H    GLU   8           H        GLU   8  -2.617  -5.213   3.021
   38    HA   GLU   8           HA       GLU   8  -4.701  -6.688   1.579
   39    HB2  GLU   8           2HB      GLU   8  -6.199  -4.759   1.531
   40    HB3  GLU   8           3HB      GLU   8  -5.880  -5.257   3.182
   41    HG2  GLU   8           2HG      GLU   8  -4.581  -3.371   3.626
   42    HG3  GLU   8           3HG      GLU   8  -4.338  -3.023   1.915
   43    H    SER   9           H        SER   9  -5.439  -5.230  -0.406
   44    HA   SER   9           HA       SER   9  -3.016  -4.749  -1.948
   45    HB2  SER   9           2HB      SER   9  -5.914  -4.888  -2.812
   46    HB3  SER   9           3HB      SER   9  -4.533  -4.733  -3.898
   47    HG   SER   9           HG       SER   9  -4.449  -6.822  -3.829
   48    H    CYS  10           H        CYS  10  -2.475  -2.851  -2.917
   49    HA   CYS  10           HA       CYS  10  -4.149  -0.487  -2.414
   50    HB2  CYS  10           2HB      CYS  10  -1.947   0.758  -1.989
   51    HB3  CYS  10           3HB      CYS  10  -2.520  -0.305  -0.710
   52    H    ASN  11           H        ASN  11  -4.447   0.742  -4.157
   53    HA   ASN  11           HA       ASN  11  -2.853   0.197  -6.556
   54    HB2  ASN  11           2HB      ASN  11  -5.647   1.046  -6.070
   55    HB3  ASN  11           3HB      ASN  11  -4.855   1.765  -7.469
   56   HD21  ASN  11          1HD2      ASN  11  -4.132   0.421  -9.140
   57   HD22  ASN  11          2HD2      ASN  11  -4.775  -1.168  -9.359
   58    H    VAL  12           H        VAL  12  -1.322   1.547  -7.133
   59    HA   VAL  12           HA       VAL  12  -0.899   4.041  -5.795
   60    HB   VAL  12           HB       VAL  12   1.077   4.303  -7.274
   61   HG11  VAL  12          1HG1      VAL  12   2.344   2.432  -6.391
   62   HG12  VAL  12          2HG1      VAL  12   0.851   1.563  -6.037
   63   HG13  VAL  12          3HG1      VAL  12   1.231   3.054  -5.173
   64   HG21  VAL  12          3HG2      VAL  12   1.739   2.478  -8.782
   65   HG22  VAL  12          1HG2      VAL  12   0.246   3.252  -9.313
   66   HG23  VAL  12          2HG2      VAL  12   0.188   1.687  -8.502
   67    H    GLN  13           H        GLN  13  -3.240   3.582  -7.838
   68    HA   GLN  13           HA       GLN  13  -2.766   5.952  -9.513
   69    HB2  GLN  13           2HB      GLN  13  -3.478   3.598 -10.422
   70    HB3  GLN  13           3HB      GLN  13  -5.077   4.078  -9.883
   71    HG2  GLN  13           2HG      GLN  13  -5.057   4.677 -12.122
   72    HG3  GLN  13           3HG      GLN  13  -4.702   6.192 -11.295
   73   HE21  GLN  13          1HE2      GLN  13  -3.437   3.641 -13.286
   74   HE22  GLN  13          2HE2      GLN  13  -1.983   4.448 -13.754
   75    H    PHE  14           H        PHE  14  -4.840   4.640  -7.004
   76    HA   PHE  14           HA       PHE  14  -6.042   7.264  -6.608
   77    HB2  PHE  14           2HB      PHE  14  -8.344   5.995  -6.343
   78    HB3  PHE  14           3HB      PHE  14  -7.805   6.555  -7.921
   79    HD1  PHE  14           HD2      PHE  14  -8.318   3.622  -5.787
   80    HD2  PHE  14           HD1      PHE  14  -7.137   5.011  -9.628
   81    HE1  PHE  14           HE2      PHE  14  -8.459   1.325  -6.654
   82    HE2  PHE  14           HE1      PHE  14  -7.272   2.717 -10.504
   83    HZ   PHE  14           HZ       PHE  14  -7.925   0.874  -9.013
   84    H    TYR  15           H        TYR  15  -5.302   4.059  -5.397
   85    HA   TYR  15           HA       TYR  15  -5.957   5.015  -2.686
   86    HB2  TYR  15           2HB      TYR  15  -7.482   3.180  -3.749
   87    HB3  TYR  15           3HB      TYR  15  -6.144   2.101  -3.380
   88    HD1  TYR  15           HD2      TYR  15  -8.616   4.420  -1.875
   89    HD2  TYR  15           HD1      TYR  15  -5.805   1.302  -1.173
   90    HE1  TYR  15           HE2      TYR  15  -9.464   4.180   0.420
   91    HE2  TYR  15           HE1      TYR  15  -6.651   1.052   1.122
   92    HH   TYR  15           HH       TYR  15  -7.842   2.392   2.803
   93    HA   PRO  16           HA       PRO  16  -1.497   3.806  -2.619
   94    HB2  PRO  16           2HB      PRO  16  -0.615   5.861  -1.081
   95    HB3  PRO  16           3HB      PRO  16  -0.875   6.027  -2.827
   96    HG2  PRO  16           2HG      PRO  16  -2.570   6.957  -0.572
   97    HG3  PRO  16           3HG      PRO  16  -2.235   7.731  -2.132
   98    HD2  PRO  16           2HD      PRO  16  -4.537   6.328  -1.546
   99    HD3  PRO  16           3HD      PRO  16  -3.923   6.624  -3.181
  100    H    CYS  17           H        CYS  17   0.026   3.604  -0.606
  101    HA   CYS  17           HA       CYS  17  -1.478   2.221   1.472
  102    HB2  CYS  17           2HB      CYS  17   0.616   1.311   0.258
  103    HB3  CYS  17           3HB      CYS  17   1.524   2.391   1.310
  104    H    CYS  18           H        CYS  18  -0.885   2.504   3.770
  105    HA   CYS  18           HA       CYS  18  -0.851   5.301   4.465
  106    HB2  CYS  18           2HB      CYS  18  -0.977   2.835   6.210
  107    HB3  CYS  18           3HB      CYS  18  -1.172   4.486   6.785
  108    HA   PRO  19           HA       PRO  19   3.643   5.087   5.158
  109    HB2  PRO  19           2HB      PRO  19   4.172   7.711   4.835
  110    HB3  PRO  19           3HB      PRO  19   3.827   6.653   3.454
  111    HG2  PRO  19           2HG      PRO  19   2.083   8.656   4.776
  112    HG3  PRO  19           3HG      PRO  19   2.199   8.210   3.063
  113    HD2  PRO  19           2HD      PRO  19   0.246   7.313   4.840
  114    HD3  PRO  19           3HD      PRO  19   0.641   6.577   3.276
  115    H    GLY  20           H        GLY  20   5.167   6.464   6.616
  116    HA2  GLY  20           2HA      GLY  20   5.446   7.793   8.587
  117    HA3  GLY  20           3HA      GLY  20   3.780   7.444   9.019
  118    H    LEU  21           H        LEU  21   3.832   4.640   8.661
  119    HA   LEU  21           HA       LEU  21   5.232   3.872  11.094
  120    HB2  LEU  21           2HB      LEU  21   3.235   2.411   9.366
  121    HB3  LEU  21           3HB      LEU  21   3.967   1.723  10.801
  122    HG   LEU  21           HG       LEU  21   2.972   3.914  11.929
  123   HD11  LEU  21          1HD1      LEU  21   1.125   3.433   9.594
  124   HD12  LEU  21          2HD1      LEU  21   2.106   4.873   9.866
  125   HD13  LEU  21          3HD1      LEU  21   0.792   4.479  10.974
  126   HD21  LEU  21          3HD2      LEU  21   2.468   1.636  12.600
  127   HD22  LEU  21          1HD2      LEU  21   1.362   1.460  11.237
  128   HD23  LEU  21          2HD2      LEU  21   0.992   2.599  12.532
  129    H    GLY  22           H        GLY  22   5.215   3.047   7.654
  130    HA2  GLY  22           2HA      GLY  22   7.502   2.551   6.763
  131    HA3  GLY  22           3HA      GLY  22   7.635   1.405   8.089
  132    H    LEU  23           H        LEU  23   5.058   2.108   5.734
  133    HA   LEU  23           HA       LEU  23   5.047  -0.750   5.011
  134    HB2  LEU  23           2HB      LEU  23   2.770   1.237   4.923
  135    HB3  LEU  23           3HB      LEU  23   2.673  -0.426   4.383
  136    HG   LEU  23           HG       LEU  23   3.390   0.230   7.230
  137   HD11  LEU  23          1HD1      LEU  23   1.298   1.394   6.732
  138   HD12  LEU  23          2HD1      LEU  23   1.033   0.026   7.813
  139   HD13  LEU  23          3HD1      LEU  23   0.612  -0.105   6.105
  140   HD21  LEU  23          3HD2      LEU  23   3.724  -2.078   6.360
  141   HD22  LEU  23          1HD2      LEU  23   1.997  -2.153   6.016
  142   HD23  LEU  23          2HD2      LEU  23   2.559  -1.981   7.679
  143    H    THR  24           H        THR  24   4.734  -1.329   2.838
  144    HA   THR  24           HA       THR  24   4.942   0.796   0.838
  145    HB   THR  24           HB       THR  24   7.261   0.162   1.261
  146    HG1  THR  24           HG1      THR  24   7.297  -1.036  -1.096
  147   HG21  THR  24          3HG2      THR  24   6.956  -2.124   2.091
  148   HG22  THR  24          1HG2      THR  24   8.113  -2.088   0.760
  149   HG23  THR  24          2HG2      THR  24   6.466  -2.653   0.483
  150    H    CYS  25           H        CYS  25   4.356   0.173  -1.303
  151    HA   CYS  25           HA       CYS  25   2.450  -2.042  -1.369
  152    HB2  CYS  25           2HB      CYS  25   2.850   0.409  -3.078
  153    HB3  CYS  25           3HB      CYS  25   1.803  -0.908  -3.580
  154    H    ILE  26           H        ILE  26   2.945  -3.893  -2.347
  155    HA   ILE  26           HA       ILE  26   5.002  -3.888  -4.452
  156    HB   ILE  26           HB       ILE  26   4.679  -6.036  -2.331
  157   HG12  ILE  26          2HG1      ILE  26   7.194  -4.462  -2.642
  158   HG13  ILE  26          3HG1      ILE  26   5.829  -3.657  -1.878
  159   HG21  ILE  26          1HG2      ILE  26   6.698  -7.037  -3.284
  160   HG22  ILE  26          2HG2      ILE  26   6.737  -5.793  -4.533
  161   HG23  ILE  26          3HG2      ILE  26   5.410  -6.954  -4.486
  162   HD11  ILE  26          3HD1      ILE  26   5.741  -5.359  -0.169
  163   HD12  ILE  26          1HD1      ILE  26   7.364  -4.679  -0.260
  164   HD13  ILE  26          2HD1      ILE  26   7.030  -6.262  -0.963
  165    HA   PRO  27           HA       PRO  27   5.523  -4.639  -6.329
  166    HB2  PRO  27           2HB      PRO  27   4.202  -4.310  -8.879
  167    HB3  PRO  27           3HB      PRO  27   5.485  -5.451  -8.446
  168    HG2  PRO  27           2HG      PRO  27   2.930  -6.181  -9.065
  169    HG3  PRO  27           3HG      PRO  27   4.035  -7.145  -8.066
  170    HD2  PRO  27           2HD      PRO  27   1.783  -5.381  -7.233
  171    HD3  PRO  27           3HD      PRO  27   2.318  -6.929  -6.548
  172    H    GLY  28           H        GLY  28   2.282  -3.378  -7.123
  173    HA2  GLY  28           2HA      GLY  28   1.496  -1.209  -6.702
  174    HA3  GLY  28           3HA      GLY  28   3.149  -0.682  -6.426
  175    H    ASN  29           H        ASN  29   2.128  -2.494  -9.266
  176    HA   ASN  29           HA       ASN  29   2.084  -0.083 -10.897
  177    HB2  ASN  29           2HB      ASN  29   3.654  -1.192 -12.582
  178    HB3  ASN  29           3HB      ASN  29   4.377  -0.523 -11.127
  179   HD21  ASN  29          1HD2      ASN  29   3.665  -3.394 -12.919
  180   HD22  ASN  29          2HD2      ASN  29   4.609  -4.480 -11.964
  181    HA   PRO  30           HA       PRO  30   0.214   0.435 -10.722
  182    HB2  PRO  30           2HB      PRO  30  -2.487   0.519 -10.874
  183    HB3  PRO  30           3HB      PRO  30  -1.441   0.935 -12.242
  184    HG2  PRO  30           2HG      PRO  30  -3.137  -1.425 -11.847
  185    HG3  PRO  30           3HG      PRO  30  -2.508  -0.721 -13.344
  186    HD2  PRO  30           2HD      PRO  30  -1.500  -2.987 -11.910
  187    HD3  PRO  30           3HD      PRO  30  -0.869  -2.270 -13.403
  188    H    ASP  31           H        ASP  31  -1.346  -2.623 -10.000
  189    HA   ASP  31           HA       ASP  31  -2.154  -1.768  -7.340
  190    HB2  ASP  31           2HB      ASP  31  -3.113  -4.093  -7.175
  191    HB3  ASP  31           3HB      ASP  31  -3.790  -3.097  -8.455
  192    H    GLY  32           H        GLY  32  -1.542  -2.822  -5.417
  193    HA2  GLY  32           2HA      GLY  32   0.716  -4.648  -5.440
  194    HA3  GLY  32           3HA      GLY  32   1.049  -3.056  -4.780
  195    H    THR  33           H        THR  33   1.573  -4.598  -2.942
  196    HA   THR  33           HA       THR  33  -0.815  -4.872  -1.232
  197    HB   THR  33           HB       THR  33   1.512  -6.696  -0.785
  198    HG1  THR  33           HG1      THR  33   0.341  -8.213  -2.240
  199   HG21  THR  33          3HG2      THR  33  -0.257  -8.226  -0.031
  200   HG22  THR  33          1HG2      THR  33  -1.478  -7.043  -0.502
  201   HG23  THR  33          2HG2      THR  33  -0.352  -6.675   0.803
  202    H    CYS  34           H        CYS  34  -0.564  -4.311   0.933
  203    HA   CYS  34           HA       CYS  34   1.696  -2.560   1.474
  204    HB2  CYS  34           2HB      CYS  34  -0.952  -3.008   2.825
  205    HB3  CYS  34           3HB      CYS  34   0.328  -2.092   3.612
  206    H    TYR  35           H        TYR  35   3.458  -3.371   2.281
  207    HA   TYR  35           HA       TYR  35   3.296  -5.361   4.450
  208    HB2  TYR  35           2HB      TYR  35   5.100  -5.290   2.048
  209    HB3  TYR  35           3HB      TYR  35   5.640  -6.064   3.531
  210    HD1  TYR  35           HD1      TYR  35   4.090  -7.911   4.504
  211    HD2  TYR  35           HD2      TYR  35   3.846  -6.500   0.493
  212    HE1  TYR  35           HE1      TYR  35   2.936  -9.980   3.851
  213    HE2  TYR  35           HE2      TYR  35   2.688  -8.567  -0.164
  214    HH   TYR  35           HH       TYR  35   2.469 -10.885   0.616
  215    H    TYR  36           H        TYR  36   5.155  -5.332   5.932
  216    HA   TYR  36           HA       TYR  36   6.013  -2.590   6.458
  217    HB2  TYR  36           2HB      TYR  36   4.955  -4.231   8.184
  218    HB3  TYR  36           3HB      TYR  36   6.567  -4.931   8.259
  219    HD1  TYR  36           HD1      TYR  36   4.536  -1.967   9.017
  220    HD2  TYR  36           HD2      TYR  36   8.392  -3.742   9.309
  221    HE1  TYR  36           HE1      TYR  36   5.197  -0.252  10.650
  222    HE2  TYR  36           HE2      TYR  36   9.062  -2.032  10.943
  223    HH   TYR  36           HH       TYR  36   6.841   0.037  12.455
  224    H    LEU  37           H        LEU  37   8.073  -1.893   6.388
  225    HA   LEU  37           HA       LEU  37  10.092  -3.739   5.336
  226    HB2  LEU  37           2HB      LEU  37   9.879  -0.733   5.339
  227    HB3  LEU  37           3HB      LEU  37  11.359  -1.562   4.899
  228    HG   LEU  37           HG       LEU  37   8.820  -2.242   3.468
  229   HD11  LEU  37          1HD1      LEU  37   8.809   0.136   3.332
  230   HD12  LEU  37          2HD1      LEU  37   9.431  -0.478   1.800
  231   HD13  LEU  37          3HD1      LEU  37  10.540   0.183   3.000
  232   HD21  LEU  37          3HD2      LEU  37  10.813  -3.596   3.060
  233   HD22  LEU  37          1HD2      LEU  37  11.719  -2.145   2.632
  234   HD23  LEU  37          2HD2      LEU  37  10.372  -2.673   1.624
  Start of MODEL    6
    1    H1   PCA   1           H        PCA   1 -11.681   7.540   4.395
    2    HA   PCA   1           HA       PCA   1  -9.498   6.785   4.975
    3    HB2  PCA   1           3HB      PCA   1 -10.010   4.454   5.227
    4    HB3  PCA   1           2HB      PCA   1  -9.229   4.298   3.606
    5    HG2  PCA   1           3HG      PCA   1 -11.622   3.654   3.539
    6    HG3  PCA   1           2HG      PCA   1 -11.629   3.844   5.312
    7    H    GLY   2           H        GLY   2  -7.627   7.231   3.851
    8    HA2  GLY   2           2HA      GLY   2  -7.885   7.658   0.947
    9    HA3  GLY   2           3HA      GLY   2  -6.757   8.499   2.000
   10    H    CYS   3           H        CYS   3  -5.424   6.641   3.316
   11    HA   CYS   3           HA       CYS   3  -4.032   5.165   1.201
   12    HB2  CYS   3           2HB      CYS   3  -2.155   5.045   2.787
   13    HB3  CYS   3           3HB      CYS   3  -2.668   6.707   2.520
   14    H    ALA   4           H        ALA   4  -3.304   2.986   1.567
   15    HA   ALA   4           HA       ALA   4  -5.262   1.409   3.046
   16    HB1  ALA   4           3HB      ALA   4  -4.165   1.067   0.586
   17    HB2  ALA   4           1HB      ALA   4  -4.909  -0.222   1.534
   18    HB3  ALA   4           2HB      ALA   4  -3.160  -0.005   1.562
   19    H    PHE   5           H        PHE   5  -4.722  -0.218   4.526
   20    HA   PHE   5           HA       PHE   5  -2.215   0.265   5.957
   21    HB2  PHE   5           2HB      PHE   5  -3.340  -1.078   7.807
   22    HB3  PHE   5           3HB      PHE   5  -4.046   0.487   7.441
   23    HD1  PHE   5           HD1      PHE   5  -4.471  -3.162   6.909
   24    HD2  PHE   5           HD2      PHE   5  -6.306   0.679   6.871
   25    HE1  PHE   5           HE1      PHE   5  -6.678  -4.222   6.666
   26    HE2  PHE   5           HE2      PHE   5  -8.515  -0.375   6.626
   27    HZ   PHE   5           HZ       PHE   5  -8.703  -2.828   6.524
   28    H    GLU   6           H        GLU   6  -1.354  -1.777   7.120
   29    HA   GLU   6           HA       GLU   6  -0.276  -3.523   5.219
   30    HB2  GLU   6           2HB      GLU   6   0.493  -2.874   7.634
   31    HB3  GLU   6           3HB      GLU   6  -0.454  -4.271   8.117
   32    HG2  GLU   6           2HG      GLU   6   0.904  -5.664   6.580
   33    HG3  GLU   6           3HG      GLU   6   1.904  -4.251   6.246
   34    H    GLY   7           H        GLY   7  -0.937  -5.355   4.316
   35    HA2  GLY   7           2HA      GLY   7  -1.863  -7.584   4.558
   36    HA3  GLY   7           3HA      GLY   7  -3.071  -6.912   5.636
   37    H    GLU   8           H        GLU   8  -3.343  -4.595   3.587
   38    HA   GLU   8           HA       GLU   8  -5.163  -6.084   1.820
   39    HB2  GLU   8           2HB      GLU   8  -6.503  -4.047   1.630
   40    HB3  GLU   8           3HB      GLU   8  -6.314  -4.524   3.308
   41    HG2  GLU   8           2HG      GLU   8  -4.870  -2.738   3.770
   42    HG3  GLU   8           3HG      GLU   8  -4.561  -2.435   2.061
   43    H    SER   9           H        SER   9  -5.700  -4.653  -0.241
   44    HA   SER   9           HA       SER   9  -3.181  -4.395  -1.682
   45    HB2  SER   9           2HB      SER   9  -6.038  -4.397  -2.681
   46    HB3  SER   9           3HB      SER   9  -4.601  -4.371  -3.704
   47    HG   SER   9           HG       SER   9  -4.435  -6.442  -3.449
   48    H    CYS  10           H        CYS  10  -2.535  -2.585  -2.793
   49    HA   CYS  10           HA       CYS  10  -4.054  -0.102  -2.386
   50    HB2  CYS  10           2HB      CYS  10  -1.769   1.017  -2.021
   51    HB3  CYS  10           3HB      CYS  10  -2.421   0.066  -0.692
   52    H    ASN  11           H        ASN  11  -4.289   1.061  -4.177
   53    HA   ASN  11           HA       ASN  11  -2.733   0.337  -6.553
   54    HB2  ASN  11           2HB      ASN  11  -5.472   1.362  -6.096
   55    HB3  ASN  11           3HB      ASN  11  -4.644   1.989  -7.519
   56   HD21  ASN  11          1HD2      ASN  11  -4.021   0.562  -9.154
   57   HD22  ASN  11          2HD2      ASN  11  -4.747  -0.997  -9.318
   58    H    VAL  12           H        VAL  12  -1.130   1.574  -7.184
   59    HA   VAL  12           HA       VAL  12  -0.544   4.077  -5.930
   60    HB   VAL  12           HB       VAL  12   1.425   4.175  -7.437
   61   HG11  VAL  12          1HG1      VAL  12   2.587   2.258  -6.512
   62   HG12  VAL  12          2HG1      VAL  12   1.048   1.488  -6.124
   63   HG13  VAL  12          3HG1      VAL  12   1.523   2.976  -5.302
   64   HG21  VAL  12          3HG2      VAL  12   1.955   2.272  -8.900
   65   HG22  VAL  12          1HG2      VAL  12   0.505   3.121  -9.437
   66   HG23  VAL  12          2HG2      VAL  12   0.363   1.586  -8.580
   67    H    GLN  13           H        GLN  13  -2.912   3.674  -7.989
   68    HA   GLN  13           HA       GLN  13  -2.314   5.979  -9.710
   69    HB2  GLN  13           2HB      GLN  13  -3.169   3.643 -10.548
   70    HB3  GLN  13           3HB      GLN  13  -4.735   4.242 -10.032
   71    HG2  GLN  13           2HG      GLN  13  -4.671   4.772 -12.287
   72    HG3  GLN  13           3HG      GLN  13  -4.218   6.284 -11.505
   73   HE21  GLN  13          1HE2      GLN  13  -3.120   3.595 -13.411
   74   HE22  GLN  13          2HE2      GLN  13  -1.615   4.289 -13.898
   75    H    PHE  14           H        PHE  14  -4.450   4.866  -7.156
   76    HA   PHE  14           HA       PHE  14  -5.493   7.566  -6.833
   77    HB2  PHE  14           2HB      PHE  14  -7.871   6.455  -6.548
   78    HB3  PHE  14           3HB      PHE  14  -7.293   6.936  -8.138
   79    HD1  PHE  14           HD2      PHE  14  -7.990   4.099  -5.926
   80    HD2  PHE  14           HD1      PHE  14  -6.728   5.309  -9.801
   81    HE1  PHE  14           HE2      PHE  14  -8.275   1.792  -6.732
   82    HE2  PHE  14           HE1      PHE  14  -7.006   3.005 -10.617
   83    HZ   PHE  14           HZ       PHE  14  -7.771   1.246  -9.078
   84    H    TYR  15           H        TYR  15  -4.959   4.354  -5.539
   85    HA   TYR  15           HA       TYR  15  -5.582   5.410  -2.857
   86    HB2  TYR  15           2HB      TYR  15  -7.190   3.636  -3.879
   87    HB3  TYR  15           3HB      TYR  15  -5.906   2.495  -3.506
   88    HD1  TYR  15           HD2      TYR  15  -8.303   4.899  -2.036
   89    HD2  TYR  15           HD1      TYR  15  -5.546   1.749  -1.272
   90    HE1  TYR  15           HE2      TYR  15  -9.152   4.722   0.264
   91    HE2  TYR  15           HE1      TYR  15  -6.392   1.563   1.029
   92    HH   TYR  15           HH       TYR  15  -9.257   3.048   2.064
   93    HA   PRO  16           HA       PRO  16  -1.182   3.990  -2.726
   94    HB2  PRO  16           2HB      PRO  16  -0.212   6.034  -1.228
   95    HB3  PRO  16           3HB      PRO  16  -0.447   6.170  -2.980
   96    HG2  PRO  16           2HG      PRO  16  -2.115   7.238  -0.767
   97    HG3  PRO  16           3HG      PRO  16  -1.726   7.957  -2.341
   98    HD2  PRO  16           2HD      PRO  16  -4.101   6.687  -1.748
   99    HD3  PRO  16           3HD      PRO  16  -3.455   6.907  -3.384
  100    H    CYS  17           H        CYS  17   0.301   3.685  -0.735
  101    HA   CYS  17           HA       CYS  17  -1.283   2.466   1.381
  102    HB2  CYS  17           2HB      CYS  17   0.747   1.397   0.189
  103    HB3  CYS  17           3HB      CYS  17   1.724   2.441   1.216
  104    H    CYS  18           H        CYS  18  -0.639   2.750   3.677
  105    HA   CYS  18           HA       CYS  18  -0.463   5.554   4.316
  106    HB2  CYS  18           2HB      CYS  18  -0.699   3.123   6.098
  107    HB3  CYS  18           3HB      CYS  18  -0.784   4.789   6.660
  108    HA   PRO  19           HA       PRO  19   4.023   5.147   4.966
  109    HB2  PRO  19           2HB      PRO  19   4.665   7.739   4.590
  110    HB3  PRO  19           3HB      PRO  19   4.259   6.673   3.232
  111    HG2  PRO  19           2HG      PRO  19   2.621   8.777   4.531
  112    HG3  PRO  19           3HG      PRO  19   2.698   8.291   2.827
  113    HD2  PRO  19           2HD      PRO  19   0.727   7.519   4.645
  114    HD3  PRO  19           3HD      PRO  19   1.068   6.738   3.090
  115    H    GLY  20           H        GLY  20   5.623   6.485   6.383
  116    HA2  GLY  20           2HA      GLY  20   6.003   7.809   8.330
  117    HA3  GLY  20           3HA      GLY  20   4.317   7.594   8.770
  118    H    LEU  21           H        LEU  21   4.171   4.783   8.466
  119    HA   LEU  21           HA       LEU  21   5.503   3.967  10.921
  120    HB2  LEU  21           2HB      LEU  21   3.424   2.608   9.204
  121    HB3  LEU  21           3HB      LEU  21   4.095   1.905  10.662
  122    HG   LEU  21           HG       LEU  21   2.820   4.601  10.844
  123   HD11  LEU  21          1HD1      LEU  21   0.631   3.556  11.193
  124   HD12  LEU  21          2HD1      LEU  21   1.304   1.998  10.716
  125   HD13  LEU  21          3HD1      LEU  21   1.217   3.316   9.547
  126   HD21  LEU  21          3HD2      LEU  21   2.926   2.211  12.686
  127   HD22  LEU  21          1HD2      LEU  21   2.204   3.775  13.064
  128   HD23  LEU  21          2HD2      LEU  21   3.942   3.649  12.794
  129    H    GLY  22           H        GLY  22   5.460   3.097   7.496
  130    HA2  GLY  22           2HA      GLY  22   7.700   2.426   6.619
  131    HA3  GLY  22           3HA      GLY  22   7.766   1.310   7.974
  132    H    LEU  23           H        LEU  23   5.245   2.107   5.587
  133    HA   LEU  23           HA       LEU  23   5.062  -0.764   4.944
  134    HB2  LEU  23           2HB      LEU  23   2.902   1.345   4.812
  135    HB3  LEU  23           3HB      LEU  23   2.710  -0.319   4.304
  136    HG   LEU  23           HG       LEU  23   3.468   0.345   7.138
  137   HD11  LEU  23          1HD1      LEU  23   1.453   1.627   6.629
  138   HD12  LEU  23          2HD1      LEU  23   1.101   0.290   7.724
  139   HD13  LEU  23          3HD1      LEU  23   0.675   0.167   6.017
  140   HD21  LEU  23          3HD2      LEU  23   1.910  -1.967   5.990
  141   HD22  LEU  23          1HD2      LEU  23   2.530  -1.803   7.633
  142   HD23  LEU  23          2HD2      LEU  23   3.649  -1.998   6.284
  143    H    THR  24           H        THR  24   4.746  -1.386   2.796
  144    HA   THR  24           HA       THR  24   5.051   0.668   0.734
  145    HB   THR  24           HB       THR  24   7.334  -0.074   1.174
  146    HG1  THR  24           HG1      THR  24   7.006  -1.406  -1.201
  147   HG21  THR  24          3HG2      THR  24   6.398  -2.865   0.474
  148   HG22  THR  24          1HG2      THR  24   6.901  -2.317   2.073
  149   HG23  THR  24          2HG2      THR  24   8.069  -2.376   0.753
  150    H    CYS  25           H        CYS  25   4.426   0.008  -1.391
  151    HA   CYS  25           HA       CYS  25   2.399  -2.096  -1.375
  152    HB2  CYS  25           2HB      CYS  25   2.946   0.237  -3.209
  153    HB3  CYS  25           3HB      CYS  25   1.782  -1.017  -3.603
  154    H    ILE  26           H        ILE  26   2.782  -4.010  -2.277
  155    HA   ILE  26           HA       ILE  26   4.835  -4.210  -4.379
  156    HB   ILE  26           HB       ILE  26   4.361  -6.258  -2.189
  157   HG12  ILE  26          2HG1      ILE  26   6.977  -4.868  -2.564
  158   HG13  ILE  26          3HG1      ILE  26   5.675  -3.960  -1.807
  159   HG21  ILE  26          1HG2      ILE  26   6.423  -6.245  -4.401
  160   HG22  ILE  26          2HG2      ILE  26   5.016  -7.304  -4.309
  161   HG23  ILE  26          3HG2      ILE  26   6.299  -7.438  -3.108
  162   HD11  ILE  26          3HD1      ILE  26   5.485  -5.673  -0.081
  163   HD12  ILE  26          1HD1      ILE  26   7.114  -5.002  -0.150
  164   HD13  ILE  26          2HD1      ILE  26   6.783  -6.589  -0.845
  165    HA   PRO  27           HA       PRO  27   5.298  -5.035  -6.242
  166    HB2  PRO  27           2HB      PRO  27   3.990  -4.665  -8.792
  167    HB3  PRO  27           3HB      PRO  27   5.196  -5.881  -8.343
  168    HG2  PRO  27           2HG      PRO  27   2.593  -6.447  -8.938
  169    HG3  PRO  27           3HG      PRO  27   3.638  -7.467  -7.930
  170    HD2  PRO  27           2HD      PRO  27   1.510  -5.549  -7.113
  171    HD3  PRO  27           3HD      PRO  27   1.955  -7.114  -6.403
  172    H    GLY  28           H        GLY  28   2.149  -3.567  -7.057
  173    HA2  GLY  28           2HA      GLY  28   1.522  -1.340  -6.659
  174    HA3  GLY  28           3HA      GLY  28   3.211  -0.926  -6.416
  175    H    ASN  29           H        ASN  29   2.043  -2.719  -9.211
  176    HA   ASN  29           HA       ASN  29   2.107  -0.341 -10.885
  177    HB2  ASN  29           2HB      ASN  29   3.620  -1.512 -12.559
  178    HB3  ASN  29           3HB      ASN  29   4.385  -0.902 -11.100
  179   HD21  ASN  29          1HD2      ASN  29   5.208  -2.345  -9.601
  180   HD22  ASN  29          2HD2      ASN  29   5.432  -4.022  -9.950
  181    HA   PRO  30           HA       PRO  30   0.277   0.282 -10.758
  182    HB2  PRO  30           2HB      PRO  30  -2.416   0.496 -10.907
  183    HB3  PRO  30           3HB      PRO  30  -1.356   0.814 -12.291
  184    HG2  PRO  30           2HG      PRO  30  -3.164  -1.447 -11.812
  185    HG3  PRO  30           3HG      PRO  30  -2.511  -0.821 -13.334
  186    HD2  PRO  30           2HD      PRO  30  -1.605  -3.090 -11.840
  187    HD3  PRO  30           3HD      PRO  30  -0.942  -2.443 -13.351
  188    H    ASP  31           H        ASP  31  -1.440  -2.665  -9.933
  189    HA   ASP  31           HA       ASP  31  -2.191  -1.680  -7.301
  190    HB2  ASP  31           2HB      ASP  31  -3.280  -3.940  -7.059
  191    HB3  ASP  31           3HB      ASP  31  -3.905  -2.947  -8.369
  192    H    GLY  32           H        GLY  32  -1.626  -2.696  -5.345
  193    HA2  GLY  32           2HA      GLY  32   0.533  -4.643  -5.325
  194    HA3  GLY  32           3HA      GLY  32   0.944  -3.054  -4.702
  195    H    THR  33           H        THR  33   1.385  -4.659  -2.861
  196    HA   THR  33           HA       THR  33  -1.003  -4.771  -1.134
  197    HB   THR  33           HB       THR  33   1.268  -6.663  -0.666
  198    HG1  THR  33           HG1      THR  33  -0.638  -6.843  -2.748
  199   HG21  THR  33          3HG2      THR  33  -1.727  -6.887  -0.309
  200   HG22  THR  33          1HG2      THR  33  -0.553  -6.544   0.962
  201   HG23  THR  33          2HG2      THR  33  -0.546  -8.112   0.154
  202    H    CYS  34           H        CYS  34  -0.748  -4.128   0.996
  203    HA   CYS  34           HA       CYS  34   1.577  -2.458   1.500
  204    HB2  CYS  34           2HB      CYS  34  -1.100  -2.768   2.824
  205    HB3  CYS  34           3HB      CYS  34   0.204  -1.910   3.635
  206    H    TYR  35           H        TYR  35   3.314  -3.355   2.296
  207    HA   TYR  35           HA       TYR  35   3.075  -5.260   4.533
  208    HB2  TYR  35           2HB      TYR  35   4.836  -5.362   2.105
  209    HB3  TYR  35           3HB      TYR  35   5.380  -6.096   3.607
  210    HD1  TYR  35           HD1      TYR  35   3.799  -7.845   4.687
  211    HD2  TYR  35           HD2      TYR  35   3.477  -6.570   0.636
  212    HE1  TYR  35           HE1      TYR  35   2.545  -9.889   4.149
  213    HE2  TYR  35           HE2      TYR  35   2.219  -8.612   0.093
  214    HH   TYR  35           HH       TYR  35   1.940 -10.892   0.969
  215    H    TYR  36           H        TYR  36   4.919  -5.273   6.012
  216    HA   TYR  36           HA       TYR  36   5.945  -2.573   6.436
  217    HB2  TYR  36           2HB      TYR  36   4.797  -4.070   8.224
  218    HB3  TYR  36           3HB      TYR  36   6.352  -4.888   8.313
  219    HD1  TYR  36           HD2      TYR  36   4.541  -1.778   9.016
  220    HD2  TYR  36           HD1      TYR  36   8.283  -3.785   9.283
  221    HE1  TYR  36           HE2      TYR  36   5.342  -0.064  10.587
  222    HE2  TYR  36           HE1      TYR  36   9.094  -2.077  10.855
  223    HH   TYR  36           HH       TYR  36   7.038   0.170  12.350
  224    H    LEU  37           H        LEU  37   8.047  -2.007   6.348
  225    HA   LEU  37           HA       LEU  37   9.943  -4.003   5.344
  226    HB2  LEU  37           2HB      LEU  37   9.918  -0.991   5.268
  227    HB3  LEU  37           3HB      LEU  37  11.343  -1.921   4.851
  228    HG   LEU  37           HG       LEU  37   8.767  -2.487   3.439
  229   HD11  LEU  37          1HD1      LEU  37  10.616  -0.171   2.913
  230   HD12  LEU  37          2HD1      LEU  37   8.884  -0.117   3.242
  231   HD13  LEU  37          3HD1      LEU  37   9.474  -0.800   1.727
  232   HD21  LEU  37          3HD2      LEU  37  11.666  -2.570   2.598
  233   HD22  LEU  37          1HD2      LEU  37  10.289  -3.046   1.604
  234   HD23  LEU  37          2HD2      LEU  37  10.681  -3.958   3.061
  Start of MODEL    7
    1    H1   PCA   1           H        PCA   1  -8.035  11.802   3.481
    2    HA   PCA   1           HA       PCA   1  -6.668   9.873   4.713
    3    HB2  PCA   1           3HB      PCA   1  -8.180   9.577   6.555
    4    HB3  PCA   1           2HB      PCA   1  -9.039   8.459   5.426
    5    HG2  PCA   1           3HG      PCA   1 -10.451  10.399   6.049
    6    HG3  PCA   1           2HG      PCA   1  -9.160  10.856   7.190
    7    H    GLY   2           H        GLY   2  -6.423   8.028   3.465
    8    HA2  GLY   2           2HA      GLY   2  -8.275   6.719   1.888
    9    HA3  GLY   2           3HA      GLY   2  -7.604   7.984   0.870
   10    H    CYS   3           H        CYS   3  -6.190   5.800   3.304
   11    HA   CYS   3           HA       CYS   3  -4.376   4.760   1.233
   12    HB2  CYS   3           2HB      CYS   3  -2.542   4.747   2.863
   13    HB3  CYS   3           3HB      CYS   3  -3.153   6.378   2.611
   14    H    ALA   4           H        ALA   4  -3.534   2.626   1.626
   15    HA   ALA   4           HA       ALA   4  -5.449   0.940   3.047
   16    HB1  ALA   4           3HB      ALA   4  -4.901  -0.734   1.605
   17    HB2  ALA   4           1HB      ALA   4  -3.207  -0.249   1.517
   18    HB3  ALA   4           2HB      ALA   4  -4.427   0.641   0.607
   19    H    PHE   5           H        PHE   5  -4.825  -0.722   4.479
   20    HA   PHE   5           HA       PHE   5  -2.406  -0.104   6.003
   21    HB2  PHE   5           2HB      PHE   5  -3.466  -1.630   7.752
   22    HB3  PHE   5           3HB      PHE   5  -4.285  -0.110   7.441
   23    HD1  PHE   5           HD2      PHE   5  -4.396  -3.744   6.666
   24    HD2  PHE   5           HD1      PHE   5  -6.545  -0.074   6.864
   25    HE1  PHE   5           HE2      PHE   5  -6.503  -4.962   6.305
   26    HE2  PHE   5           HE1      PHE   5  -8.655  -1.287   6.509
   27    HZ   PHE   5           HZ       PHE   5  -8.636  -3.734   6.228
   28    H    GLU   6           H        GLU   6  -1.479  -2.194   7.135
   29    HA   GLU   6           HA       GLU   6  -0.220  -3.735   5.133
   30    HB2  GLU   6           2HB      GLU   6   0.546  -3.110   7.539
   31    HB3  GLU   6           3HB      GLU   6  -0.317  -4.562   8.018
   32    HG2  GLU   6           2HG      GLU   6   1.095  -5.875   6.480
   33    HG3  GLU   6           3HG      GLU   6   1.994  -4.411   6.090
   34    H    GLY   7           H        GLY   7  -0.680  -5.625   4.214
   35    HA2  GLY   7           2HA      GLY   7  -1.441  -7.886   4.256
   36    HA3  GLY   7           3HA      GLY   7  -2.581  -7.453   5.513
   37    H    GLU   8           H        GLU   8  -2.567  -5.219   2.912
   38    HA   GLU   8           HA       GLU   8  -4.689  -6.670   1.506
   39    HB2  GLU   8           2HB      GLU   8  -6.180  -4.739   1.484
   40    HB3  GLU   8           3HB      GLU   8  -5.832  -5.228   3.132
   41    HG2  GLU   8           2HG      GLU   8  -4.449  -3.357   3.503
   42    HG3  GLU   8           3HG      GLU   8  -4.367  -2.980   1.784
   43    H    SER   9           H        SER   9  -5.427  -5.253  -0.485
   44    HA   SER   9           HA       SER   9  -3.010  -4.738  -2.028
   45    HB2  SER   9           2HB      SER   9  -5.905  -4.939  -2.894
   46    HB3  SER   9           3HB      SER   9  -4.526  -4.763  -3.980
   47    HG   SER   9           HG       SER   9  -3.955  -6.789  -2.431
   48    H    CYS  10           H        CYS  10  -2.449  -2.827  -2.909
   49    HA   CYS  10           HA       CYS  10  -4.190  -0.495  -2.479
   50    HB2  CYS  10           2HB      CYS  10  -1.995   0.778  -2.018
   51    HB3  CYS  10           3HB      CYS  10  -2.630  -0.246  -0.736
   52    H    ASN  11           H        ASN  11  -4.473   0.713  -4.238
   53    HA   ASN  11           HA       ASN  11  -2.840   0.166  -6.604
   54    HB2  ASN  11           2HB      ASN  11  -5.615   1.093  -6.148
   55    HB3  ASN  11           3HB      ASN  11  -4.789   1.786  -7.540
   56   HD21  ASN  11          1HD2      ASN  11  -4.091   0.419  -9.202
   57   HD22  ASN  11          2HD2      ASN  11  -4.774  -1.152  -9.423
   58    H    VAL  12           H        VAL  12  -1.254   1.463  -7.134
   59    HA   VAL  12           HA       VAL  12  -0.786   3.954  -5.811
   60    HB   VAL  12           HB       VAL  12   1.232   4.140  -7.237
   61   HG11  VAL  12          1HG1      VAL  12   2.414   2.230  -6.333
   62   HG12  VAL  12          2HG1      VAL  12   0.889   1.393  -6.041
   63   HG13  VAL  12          3HG1      VAL  12   1.276   2.860  -5.140
   64   HG21  VAL  12          3HG2      VAL  12   0.281   1.566  -8.505
   65   HG22  VAL  12          1HG2      VAL  12   1.863   2.307  -8.746
   66   HG23  VAL  12          2HG2      VAL  12   0.408   3.133  -9.303
   67    H    GLN  13           H        GLN  13  -3.105   3.557  -7.880
   68    HA   GLN  13           HA       GLN  13  -2.536   5.899  -9.566
   69    HB2  GLN  13           2HB      GLN  13  -3.283   3.558 -10.479
   70    HB3  GLN  13           3HB      GLN  13  -4.882   4.074  -9.971
   71    HG2  GLN  13           2HG      GLN  13  -4.808   4.660 -12.212
   72    HG3  GLN  13           3HG      GLN  13  -4.439   6.172 -11.386
   73   HE21  GLN  13          1HE2      GLN  13  -2.347   6.999 -11.480
   74   HE22  GLN  13          2HE2      GLN  13  -1.195   6.455 -12.645
   75    H    PHE  14           H        PHE  14  -4.717   4.630  -7.120
   76    HA   PHE  14           HA       PHE  14  -5.869   7.287  -6.762
   77    HB2  PHE  14           2HB      PHE  14  -8.191   6.046  -6.517
   78    HB3  PHE  14           3HB      PHE  14  -7.623   6.590  -8.091
   79    HD1  PHE  14           HD1      PHE  14  -8.196   3.676  -5.945
   80    HD2  PHE  14           HD2      PHE  14  -6.950   5.029  -9.778
   81    HE1  PHE  14           HE1      PHE  14  -8.348   1.374  -6.800
   82    HE2  PHE  14           HE2      PHE  14  -7.103   2.733 -10.644
   83    HZ   PHE  14           HZ       PHE  14  -7.794   0.905  -9.152
   84    H    TYR  15           H        TYR  15  -5.211   4.082  -5.497
   85    HA   TYR  15           HA       TYR  15  -5.874   5.094  -2.811
   86    HB2  TYR  15           2HB      TYR  15  -7.445   3.293  -3.849
   87    HB3  TYR  15           3HB      TYR  15  -6.138   2.178  -3.475
   88    HD1  TYR  15           HD1      TYR  15  -8.572   4.544  -1.998
   89    HD2  TYR  15           HD2      TYR  15  -5.783   1.419  -1.247
   90    HE1  TYR  15           HE1      TYR  15  -9.422   4.346   0.301
   91    HE2  TYR  15           HE2      TYR  15  -6.627   1.214   1.054
   92    HH   TYR  15           HH       TYR  15  -7.809   2.590   2.712
   93    HA   PRO  16           HA       PRO  16  -1.451   3.772  -2.671
   94    HB2  PRO  16           2HB      PRO  16  -0.534   5.827  -1.156
   95    HB3  PRO  16           3HB      PRO  16  -0.773   5.973  -2.907
   96    HG2  PRO  16           2HG      PRO  16  -2.465   6.979  -0.683
   97    HG3  PRO  16           3HG      PRO  16  -2.097   7.721  -2.252
   98    HD2  PRO  16           2HD      PRO  16  -4.438   6.382  -1.665
   99    HD3  PRO  16           3HD      PRO  16  -3.804   6.642  -3.298
  100    H    CYS  17           H        CYS  17   0.043   3.565  -0.640
  101    HA   CYS  17           HA       CYS  17  -1.504   2.232   1.434
  102    HB2  CYS  17           2HB      CYS  17   0.609   1.303   0.264
  103    HB3  CYS  17           3HB      CYS  17   1.500   2.383   1.331
  104    H    CYS  18           H        CYS  18  -0.920   2.530   3.743
  105    HA   CYS  18           HA       CYS  18  -0.904   5.332   4.413
  106    HB2  CYS  18           2HB      CYS  18  -1.024   2.880   6.177
  107    HB3  CYS  18           3HB      CYS  18  -1.229   4.535   6.739
  108    HA   PRO  19           HA       PRO  19   3.589   5.153   5.115
  109    HB2  PRO  19           2HB      PRO  19   4.097   7.782   4.788
  110    HB3  PRO  19           3HB      PRO  19   3.766   6.717   3.409
  111    HG2  PRO  19           2HG      PRO  19   2.001   8.708   4.720
  112    HG3  PRO  19           3HG      PRO  19   2.127   8.259   3.009
  113    HD2  PRO  19           2HD      PRO  19   0.174   7.351   4.778
  114    HD3  PRO  19           3HD      PRO  19   0.584   6.611   3.220
  115    H    GLY  20           H        GLY  20   5.101   6.548   6.570
  116    HA2  GLY  20           2HA      GLY  20   5.371   7.878   8.540
  117    HA3  GLY  20           3HA      GLY  20   3.707   7.522   8.970
  118    H    LEU  21           H        LEU  21   3.780   4.716   8.605
  119    HA   LEU  21           HA       LEU  21   5.185   3.954  11.039
  120    HB2  LEU  21           2HB      LEU  21   3.181   2.488   9.323
  121    HB3  LEU  21           3HB      LEU  21   3.920   1.804  10.757
  122    HG   LEU  21           HG       LEU  21   2.928   3.996  11.884
  123   HD11  LEU  21          1HD1      LEU  21   2.054   4.948   9.820
  124   HD12  LEU  21          2HD1      LEU  21   0.745   4.561  10.937
  125   HD13  LEU  21          3HD1      LEU  21   1.069   3.508   9.560
  126   HD21  LEU  21          3HD2      LEU  21   2.428   1.720  12.562
  127   HD22  LEU  21          1HD2      LEU  21   1.318   1.539  11.204
  128   HD23  LEU  21          2HD2      LEU  21   0.951   2.680  12.498
  129    H    GLY  22           H        GLY  22   5.148   3.126   7.600
  130    HA2  GLY  22           2HA      GLY  22   7.425   2.631   6.689
  131    HA3  GLY  22           3HA      GLY  22   7.578   1.495   8.021
  132    H    LEU  23           H        LEU  23   5.010   2.178   5.648
  133    HA   LEU  23           HA       LEU  23   4.999  -0.687   4.955
  134    HB2  LEU  23           2HB      LEU  23   2.706   1.279   4.894
  135    HB3  LEU  23           3HB      LEU  23   2.615  -0.381   4.345
  136    HG   LEU  23           HG       LEU  23   3.362   0.260   7.188
  137   HD11  LEU  23          1HD1      LEU  23   1.012   0.037   7.797
  138   HD12  LEU  23          2HD1      LEU  23   0.573  -0.073   6.092
  139   HD13  LEU  23          3HD1      LEU  23   1.262   1.420   6.731
  140   HD21  LEU  23          3HD2      LEU  23   1.969  -2.120   5.968
  141   HD22  LEU  23          1HD2      LEU  23   2.538  -1.958   7.629
  142   HD23  LEU  23          2HD2      LEU  23   3.698  -2.039   6.304
  143    H    THR  24           H        THR  24   4.683  -1.280   2.791
  144    HA   THR  24           HA       THR  24   4.844   0.837   0.777
  145    HB   THR  24           HB       THR  24   7.174   0.225   1.187
  146    HG1  THR  24           HG1      THR  24   7.055  -1.025  -1.201
  147   HG21  THR  24          3HG2      THR  24   8.022  -2.035   0.627
  148   HG22  THR  24          1HG2      THR  24   6.358  -2.596   0.461
  149   HG23  THR  24          2HG2      THR  24   6.949  -2.043   2.027
  150    H    CYS  25           H        CYS  25   4.271   0.176  -1.370
  151    HA   CYS  25           HA       CYS  25   2.385  -2.059  -1.399
  152    HB2  CYS  25           2HB      CYS  25   2.737   0.370  -3.155
  153    HB3  CYS  25           3HB      CYS  25   1.665  -0.953  -3.583
  154    H    ILE  26           H        ILE  26   3.006  -3.928  -2.263
  155    HA   ILE  26           HA       ILE  26   4.911  -3.901  -4.509
  156    HB   ILE  26           HB       ILE  26   4.942  -6.000  -2.319
  157   HG12  ILE  26          2HG1      ILE  26   7.237  -4.135  -2.702
  158   HG13  ILE  26          3HG1      ILE  26   5.814  -3.497  -1.889
  159   HG21  ILE  26          1HG2      ILE  26   5.702  -6.823  -4.493
  160   HG22  ILE  26          2HG2      ILE  26   7.046  -6.725  -3.355
  161   HG23  ILE  26          3HG2      ILE  26   6.857  -5.493  -4.604
  162   HD11  ILE  26          3HD1      ILE  26   5.991  -5.124  -0.156
  163   HD12  ILE  26          1HD1      ILE  26   7.576  -4.381  -0.372
  164   HD13  ILE  26          2HD1      ILE  26   7.259  -5.988  -1.025
  165    HA   PRO  27           HA       PRO  27   5.446  -4.945  -6.399
  166    HB2  PRO  27           2HB      PRO  27   4.299  -4.670  -8.871
  167    HB3  PRO  27           3HB      PRO  27   4.971  -6.198  -8.270
  168    HG2  PRO  27           2HG      PRO  27   2.132  -5.297  -8.363
  169    HG3  PRO  27           3HG      PRO  27   2.826  -6.888  -8.738
  170    HD2  PRO  27           2HD      PRO  27   1.600  -6.385  -6.393
  171    HD3  PRO  27           3HD      PRO  27   2.969  -7.502  -6.525
  172    H    GLY  28           H        GLY  28   2.155  -3.631  -6.926
  173    HA2  GLY  28           2HA      GLY  28   1.400  -1.459  -6.604
  174    HA3  GLY  28           3HA      GLY  28   3.044  -0.967  -6.238
  175    H    ASN  29           H        ASN  29   2.018  -2.635  -9.185
  176    HA   ASN  29           HA       ASN  29   2.103  -0.179 -10.726
  177    HB2  ASN  29           2HB      ASN  29   3.742  -1.193 -12.383
  178    HB3  ASN  29           3HB      ASN  29   4.410  -0.638 -10.856
  179   HD21  ASN  29          1HD2      ASN  29   5.203  -2.139  -9.389
  180   HD22  ASN  29          2HD2      ASN  29   5.521  -3.780  -9.824
  181    HA   PRO  30           HA       PRO  30   0.247   0.395 -10.717
  182    HB2  PRO  30           2HB      PRO  30  -2.451   0.472 -10.920
  183    HB3  PRO  30           3HB      PRO  30  -1.380   0.903 -12.263
  184    HG2  PRO  30           2HG      PRO  30  -3.058  -1.483 -11.905
  185    HG3  PRO  30           3HG      PRO  30  -2.445  -0.741 -13.392
  186    HD2  PRO  30           2HD      PRO  30  -1.408  -3.028 -12.044
  187    HD3  PRO  30           3HD      PRO  30  -0.742  -2.219 -13.474
  188    H    ASP  31           H        ASP  31  -1.351  -2.663 -10.054
  189    HA   ASP  31           HA       ASP  31  -2.205  -1.839  -7.404
  190    HB2  ASP  31           2HB      ASP  31  -3.115  -4.187  -7.263
  191    HB3  ASP  31           3HB      ASP  31  -3.791  -3.202  -8.551
  192    H    GLY  32           H        GLY  32  -1.528  -2.748  -5.469
  193    HA2  GLY  32           2HA      GLY  32   0.769  -4.546  -5.474
  194    HA3  GLY  32           3HA      GLY  32   1.027  -2.948  -4.798
  195    H    THR  33           H        THR  33   1.586  -4.564  -2.993
  196    HA   THR  33           HA       THR  33  -0.799  -4.870  -1.285
  197    HB   THR  33           HB       THR  33   1.526  -6.701  -0.869
  198    HG1  THR  33           HG1      THR  33   1.038  -7.960  -2.547
  199   HG21  THR  33          3HG2      THR  33  -1.465  -7.057  -0.608
  200   HG22  THR  33          1HG2      THR  33  -0.345  -6.710   0.710
  201   HG23  THR  33          2HG2      THR  33  -0.244  -8.245  -0.151
  202    H    CYS  34           H        CYS  34  -0.558  -4.289   0.868
  203    HA   CYS  34           HA       CYS  34   1.709  -2.559   1.423
  204    HB2  CYS  34           2HB      CYS  34  -0.924  -3.029   2.796
  205    HB3  CYS  34           3HB      CYS  34   0.357  -2.101   3.566
  206    H    TYR  35           H        TYR  35   3.470  -3.312   2.271
  207    HA   TYR  35           HA       TYR  35   3.336  -5.338   4.406
  208    HB2  TYR  35           2HB      TYR  35   5.197  -5.186   2.044
  209    HB3  TYR  35           3HB      TYR  35   5.680  -6.013   3.517
  210    HD1  TYR  35           HD2      TYR  35   4.022  -7.863   4.374
  211    HD2  TYR  35           HD1      TYR  35   4.079  -6.369   0.385
  212    HE1  TYR  35           HE2      TYR  35   2.899  -9.906   3.598
  213    HE2  TYR  35           HE1      TYR  35   2.959  -8.414  -0.397
  214    HH   TYR  35           HH       TYR  35   1.509 -10.641   1.709
  215    H    TYR  36           H        TYR  36   5.194  -5.284   5.896
  216    HA   TYR  36           HA       TYR  36   5.990  -2.526   6.447
  217    HB2  TYR  36           2HB      TYR  36   4.947  -4.194   8.157
  218    HB3  TYR  36           3HB      TYR  36   6.572  -4.863   8.245
  219    HD1  TYR  36           HD2      TYR  36   4.482  -1.930   8.979
  220    HD2  TYR  36           HD1      TYR  36   8.356  -3.653   9.330
  221    HE1  TYR  36           HE2      TYR  36   5.094  -0.206  10.623
  222    HE2  TYR  36           HE1      TYR  36   8.979  -1.934  10.975
  223    HH   TYR  36           HH       TYR  36   8.292   0.339  11.613
  224    H    LEU  37           H        LEU  37   8.024  -1.786   6.340
  225    HA   LEU  37           HA       LEU  37  10.093  -3.607   5.342
  226    HB2  LEU  37           2HB      LEU  37   9.804  -0.608   5.268
  227    HB3  LEU  37           3HB      LEU  37  11.307  -1.409   4.856
  228    HG   LEU  37           HG       LEU  37   8.792  -2.190   3.432
  229   HD11  LEU  37          1HD1      LEU  37  10.466   0.253   2.881
  230   HD12  LEU  37          2HD1      LEU  37   8.744   0.196   3.256
  231   HD13  LEU  37          3HD1      LEU  37   9.336  -0.455   1.728
  232   HD21  LEU  37          3HD2      LEU  37  10.823  -3.503   3.069
  233   HD22  LEU  37          1HD2      LEU  37  11.691  -2.040   2.602
  234   HD23  LEU  37          2HD2      LEU  37  10.361  -2.631   1.607
  Start of MODEL    8
    1    H1   PCA   1           H        PCA   1  -8.438  10.298   5.229
    2    HA   PCA   1           HA       PCA   1  -6.738  11.291   3.888
    3    HB2  PCA   1           3HB      PCA   1  -4.843  10.607   5.191
    4    HB3  PCA   1           2HB      PCA   1  -4.628   9.372   3.890
    5    HG2  PCA   1           3HG      PCA   1  -5.092   8.321   6.086
    6    HG3  PCA   1           2HG      PCA   1  -4.980   9.955   6.790
    7    H    GLY   2           H        GLY   2  -7.293   7.772   3.847
    8    HA2  GLY   2           2HA      GLY   2  -8.318   6.643   2.014
    9    HA3  GLY   2           3HA      GLY   2  -7.706   7.891   0.940
   10    H    CYS   3           H        CYS   3  -6.210   5.723   3.341
   11    HA   CYS   3           HA       CYS   3  -4.435   4.704   1.225
   12    HB2  CYS   3           2HB      CYS   3  -2.575   4.675   2.834
   13    HB3  CYS   3           3HB      CYS   3  -3.181   6.308   2.579
   14    H    ALA   4           H        ALA   4  -3.584   2.569   1.578
   15    HA   ALA   4           HA       ALA   4  -5.458   0.865   3.030
   16    HB1  ALA   4           3HB      ALA   4  -3.251  -0.333   1.470
   17    HB2  ALA   4           1HB      ALA   4  -4.450   0.594   0.566
   18    HB3  ALA   4           2HB      ALA   4  -4.955  -0.778   1.550
   19    H    PHE   5           H        PHE   5  -4.804  -0.781   4.461
   20    HA   PHE   5           HA       PHE   5  -2.339  -0.161   5.910
   21    HB2  PHE   5           2HB      PHE   5  -3.370  -1.620   7.725
   22    HB3  PHE   5           3HB      PHE   5  -4.183  -0.100   7.395
   23    HD1  PHE   5           HD2      PHE   5  -4.352  -3.757   6.774
   24    HD2  PHE   5           HD1      PHE   5  -6.451  -0.054   6.822
   25    HE1  PHE   5           HE2      PHE   5  -6.478  -4.962   6.497
   26    HE2  PHE   5           HE1      PHE   5  -8.581  -1.254   6.550
   27    HZ   PHE   5           HZ       PHE   5  -8.596  -3.711   6.386
   28    H    GLU   6           H        GLU   6  -1.370  -2.193   7.041
   29    HA   GLU   6           HA       GLU   6  -0.167  -3.809   5.094
   30    HB2  GLU   6           2HB      GLU   6   0.532  -3.182   7.546
   31    HB3  GLU   6           3HB      GLU   6  -0.304  -4.670   7.958
   32    HG2  GLU   6           2HG      GLU   6   1.170  -5.889   6.392
   33    HG3  GLU   6           3HG      GLU   6   2.049  -4.391   6.099
   34    H    GLY   7           H        GLY   7  -0.657  -5.697   4.183
   35    HA2  GLY   7           2HA      GLY   7  -1.465  -7.971   4.362
   36    HA3  GLY   7           3HA      GLY   7  -2.725  -7.391   5.433
   37    H    GLU   8           H        GLU   8  -3.221  -5.063   3.527
   38    HA   GLU   8           HA       GLU   8  -4.881  -6.612   1.663
   39    HB2  GLU   8           2HB      GLU   8  -6.352  -4.660   1.526
   40    HB3  GLU   8           3HB      GLU   8  -6.150  -5.187   3.186
   41    HG2  GLU   8           2HG      GLU   8  -4.885  -3.318   3.755
   42    HG3  GLU   8           3HG      GLU   8  -4.485  -2.962   2.075
   43    H    SER   9           H        SER   9  -5.509  -5.114  -0.342
   44    HA   SER   9           HA       SER   9  -2.998  -4.642  -1.751
   45    HB2  SER   9           2HB      SER   9  -5.837  -4.837  -2.787
   46    HB3  SER   9           3HB      SER   9  -4.395  -4.672  -3.789
   47    HG   SER   9           HG       SER   9  -5.466  -6.892  -2.815
   48    H    CYS  10           H        CYS  10  -2.606  -2.786  -2.982
   49    HA   CYS  10           HA       CYS  10  -4.257  -0.419  -2.479
   50    HB2  CYS  10           2HB      CYS  10  -2.026   0.845  -2.118
   51    HB3  CYS  10           3HB      CYS  10  -2.663  -0.107  -0.782
   52    H    ASN  11           H        ASN  11  -4.488   0.839  -4.223
   53    HA   ASN  11           HA       ASN  11  -2.936   0.191  -6.628
   54    HB2  ASN  11           2HB      ASN  11  -5.671   1.248  -6.131
   55    HB3  ASN  11           3HB      ASN  11  -4.844   1.830  -7.572
   56   HD21  ASN  11          1HD2      ASN  11  -4.184   0.315  -9.146
   57   HD22  ASN  11          2HD2      ASN  11  -4.980  -1.212  -9.291
   58    H    VAL  12           H        VAL  12  -1.318   1.453  -7.174
   59    HA   VAL  12           HA       VAL  12  -0.761   3.931  -5.874
   60    HB   VAL  12           HB       VAL  12   1.206   4.078  -7.392
   61   HG11  VAL  12          1HG1      VAL  12   0.832   1.396  -6.067
   62   HG12  VAL  12          2HG1      VAL  12   1.349   2.884  -5.272
   63   HG13  VAL  12          3HG1      VAL  12   2.376   2.135  -6.494
   64   HG21  VAL  12          3HG2      VAL  12   0.287   3.023  -9.395
   65   HG22  VAL  12          1HG2      VAL  12   0.175   1.481  -8.546
   66   HG23  VAL  12          2HG2      VAL  12   1.754   2.196  -8.871
   67    H    GLN  13           H        GLN  13  -3.119   3.568  -7.946
   68    HA   GLN  13           HA       GLN  13  -2.538   5.886  -9.648
   69    HB2  GLN  13           2HB      GLN  13  -3.552   3.509 -10.356
   70    HB3  GLN  13           3HB      GLN  13  -5.051   4.316  -9.935
   71    HG2  GLN  13           2HG      GLN  13  -3.083   5.509 -11.864
   72    HG3  GLN  13           3HG      GLN  13  -4.329   4.371 -12.368
   73   HE21  GLN  13          1HE2      GLN  13  -3.644   7.584 -11.302
   74   HE22  GLN  13          2HE2      GLN  13  -5.218   8.240 -11.580
   75    H    PHE  14           H        PHE  14  -4.728   4.716  -7.143
   76    HA   PHE  14           HA       PHE  14  -5.669   7.440  -6.679
   77    HB2  PHE  14           2HB      PHE  14  -8.069   6.326  -6.421
   78    HB3  PHE  14           3HB      PHE  14  -7.500   6.928  -7.974
   79    HD1  PHE  14           HD2      PHE  14  -8.132   3.910  -5.975
   80    HD2  PHE  14           HD1      PHE  14  -7.007   5.455  -9.774
   81    HE1  PHE  14           HE2      PHE  14  -8.418   1.676  -6.963
   82    HE2  PHE  14           HE1      PHE  14  -7.285   3.223 -10.769
   83    HZ   PHE  14           HZ       PHE  14  -7.981   1.334  -9.360
   84    H    TYR  15           H        TYR  15  -5.230   4.153  -5.523
   85    HA   TYR  15           HA       TYR  15  -5.852   5.112  -2.802
   86    HB2  TYR  15           2HB      TYR  15  -7.404   3.327  -3.924
   87    HB3  TYR  15           3HB      TYR  15  -6.106   2.211  -3.519
   88    HD1  TYR  15           HD2      TYR  15  -8.704   4.429  -2.163
   89    HD2  TYR  15           HD1      TYR  15  -5.688   1.578  -1.226
   90    HE1  TYR  15           HE2      TYR  15  -9.615   4.222   0.111
   91    HE2  TYR  15           HE1      TYR  15  -6.593   1.362   1.050
   92    HH   TYR  15           HH       TYR  15  -9.623   2.589   1.950
   93    HA   PRO  16           HA       PRO  16  -1.433   3.750  -2.690
   94    HB2  PRO  16           2HB      PRO  16  -0.484   5.794  -1.177
   95    HB3  PRO  16           3HB      PRO  16  -0.717   5.939  -2.929
   96    HG2  PRO  16           2HG      PRO  16  -2.395   6.981  -0.712
   97    HG3  PRO  16           3HG      PRO  16  -2.015   7.709  -2.284
   98    HD2  PRO  16           2HD      PRO  16  -4.377   6.410  -1.689
   99    HD3  PRO  16           3HD      PRO  16  -3.741   6.654  -3.324
  100    H    CYS  17           H        CYS  17   0.053   3.480  -0.675
  101    HA   CYS  17           HA       CYS  17  -1.513   2.179   1.398
  102    HB2  CYS  17           2HB      CYS  17   0.632   1.271   0.236
  103    HB3  CYS  17           3HB      CYS  17   1.490   2.319   1.360
  104    H    CYS  18           H        CYS  18  -0.914   2.468   3.718
  105    HA   CYS  18           HA       CYS  18  -0.943   5.270   4.388
  106    HB2  CYS  18           2HB      CYS  18  -1.044   2.804   6.134
  107    HB3  CYS  18           3HB      CYS  18  -1.236   4.452   6.722
  108    HA   PRO  19           HA       PRO  19   3.550   5.173   5.096
  109    HB2  PRO  19           2HB      PRO  19   4.007   7.812   4.777
  110    HB3  PRO  19           3HB      PRO  19   3.700   6.745   3.395
  111    HG2  PRO  19           2HG      PRO  19   1.894   8.699   4.706
  112    HG3  PRO  19           3HG      PRO  19   2.032   8.254   2.995
  113    HD2  PRO  19           2HD      PRO  19   0.094   7.305   4.760
  114    HD3  PRO  19           3HD      PRO  19   0.520   6.577   3.201
  115    H    GLY  20           H        GLY  20   5.032   6.598   6.558
  116    HA2  GLY  20           2HA      GLY  20   5.298   7.899   8.537
  117    HA3  GLY  20           3HA      GLY  20   3.623   7.569   8.946
  118    H    LEU  21           H        LEU  21   3.631   4.773   8.612
  119    HA   LEU  21           HA       LEU  21   5.011   3.989  11.052
  120    HB2  LEU  21           2HB      LEU  21   2.983   2.564   9.329
  121    HB3  LEU  21           3HB      LEU  21   3.702   1.863  10.765
  122    HG   LEU  21           HG       LEU  21   2.755   4.075  11.891
  123   HD11  LEU  21          1HD1      LEU  21   0.588   4.689  10.937
  124   HD12  LEU  21          2HD1      LEU  21   0.894   3.631   9.559
  125   HD13  LEU  21          3HD1      LEU  21   1.909   5.049   9.825
  126   HD21  LEU  21          3HD2      LEU  21   2.202   1.809  12.563
  127   HD22  LEU  21          1HD2      LEU  21   1.091   1.657  11.202
  128   HD23  LEU  21          2HD2      LEU  21   0.747   2.803  12.496
  129    H    GLY  22           H        GLY  22   4.979   3.154   7.615
  130    HA2  GLY  22           2HA      GLY  22   7.252   2.609   6.724
  131    HA3  GLY  22           3HA      GLY  22   7.370   1.472   8.058
  132    H    LEU  23           H        LEU  23   4.903   2.220   5.593
  133    HA   LEU  23           HA       LEU  23   4.845  -0.647   4.908
  134    HB2  LEU  23           2HB      LEU  23   2.547   1.317   4.860
  135    HB3  LEU  23           3HB      LEU  23   2.462  -0.344   4.313
  136    HG   LEU  23           HG       LEU  23   3.188   0.324   7.158
  137   HD11  LEU  23          1HD1      LEU  23   0.843   0.050   7.752
  138   HD12  LEU  23          2HD1      LEU  23   0.418  -0.104   6.047
  139   HD13  LEU  23          3HD1      LEU  23   1.059   1.420   6.663
  140   HD21  LEU  23          3HD2      LEU  23   1.862  -2.105   5.959
  141   HD22  LEU  23          1HD2      LEU  23   2.432  -1.910   7.616
  142   HD23  LEU  23          2HD2      LEU  23   3.589  -1.977   6.289
  143    H    THR  24           H        THR  24   4.583  -1.221   2.747
  144    HA   THR  24           HA       THR  24   4.687   0.909   0.746
  145    HB   THR  24           HB       THR  24   7.037   0.389   1.174
  146    HG1  THR  24           HG1      THR  24   5.957  -0.469  -1.302
  147   HG21  THR  24          3HG2      THR  24   6.347  -2.457   0.417
  148   HG22  THR  24          1HG2      THR  24   6.885  -1.895   1.999
  149   HG23  THR  24          2HG2      THR  24   7.982  -1.830   0.619
  150    H    CYS  25           H        CYS  25   4.163   0.236  -1.408
  151    HA   CYS  25           HA       CYS  25   2.364  -2.067  -1.467
  152    HB2  CYS  25           2HB      CYS  25   2.668   0.343  -3.266
  153    HB3  CYS  25           3HB      CYS  25   1.586  -0.992  -3.617
  154    H    ILE  26           H        ILE  26   3.104  -3.915  -2.293
  155    HA   ILE  26           HA       ILE  26   5.036  -3.808  -4.517
  156    HB   ILE  26           HB       ILE  26   5.091  -5.927  -2.347
  157   HG12  ILE  26          2HG1      ILE  26   7.311  -3.955  -2.653
  158   HG13  ILE  26          3HG1      ILE  26   5.844  -3.403  -1.852
  159   HG21  ILE  26          1HG2      ILE  26   7.251  -6.551  -3.338
  160   HG22  ILE  26          2HG2      ILE  26   7.039  -5.315  -4.578
  161   HG23  ILE  26          3HG2      ILE  26   5.939  -6.692  -4.509
  162   HD11  ILE  26          3HD1      ILE  26   7.394  -5.841  -1.015
  163   HD12  ILE  26          1HD1      ILE  26   6.074  -5.056  -0.149
  164   HD13  ILE  26          2HD1      ILE  26   7.625  -4.235  -0.324
  165    HA   PRO  27           HA       PRO  27   5.628  -4.795  -6.405
  166    HB2  PRO  27           2HB      PRO  27   4.527  -4.548  -8.896
  167    HB3  PRO  27           3HB      PRO  27   5.233  -6.057  -8.289
  168    HG2  PRO  27           2HG      PRO  27   2.372  -5.249  -8.455
  169    HG3  PRO  27           3HG      PRO  27   3.126  -6.817  -8.806
  170    HD2  PRO  27           2HD      PRO  27   1.817  -6.323  -6.491
  171    HD3  PRO  27           3HD      PRO  27   3.195  -7.434  -6.596
  172    H    GLY  28           H        GLY  28   2.296  -3.611  -6.965
  173    HA2  GLY  28           2HA      GLY  28   1.465  -1.467  -6.599
  174    HA3  GLY  28           3HA      GLY  28   3.098  -0.911  -6.279
  175    H    ASN  29           H        ASN  29   1.972  -2.612  -9.180
  176    HA   ASN  29           HA       ASN  29   1.936  -0.175 -10.737
  177    HB2  ASN  29           2HB      ASN  29   3.563  -1.125 -12.446
  178    HB3  ASN  29           3HB      ASN  29   4.257  -0.528 -10.948
  179   HD21  ASN  29          1HD2      ASN  29   5.202  -1.964  -9.521
  180   HD22  ASN  29          2HD2      ASN  29   5.572  -3.596  -9.950
  181    HA   PRO  30           HA       PRO  30   0.060   0.319 -10.677
  182    HB2  PRO  30           2HB      PRO  30  -2.648   0.271 -10.797
  183    HB3  PRO  30           3HB      PRO  30  -1.636   0.746 -12.171
  184    HG2  PRO  30           2HG      PRO  30  -3.199  -1.706 -11.766
  185    HG3  PRO  30           3HG      PRO  30  -2.644  -0.951 -13.269
  186    HD2  PRO  30           2HD      PRO  30  -1.489  -3.182 -11.915
  187    HD3  PRO  30           3HD      PRO  30  -0.896  -2.373 -13.376
  188    H    ASP  31           H        ASP  31  -1.399  -2.792  -9.940
  189    HA   ASP  31           HA       ASP  31  -2.245  -2.003  -7.280
  190    HB2  ASP  31           2HB      ASP  31  -2.386  -4.614  -8.792
  191    HB3  ASP  31           3HB      ASP  31  -2.912  -4.446  -7.121
  192    H    GLY  32           H        GLY  32  -1.464  -2.842  -5.353
  193    HA2  GLY  32           2HA      GLY  32   0.856  -4.584  -5.325
  194    HA3  GLY  32           3HA      GLY  32   1.165  -2.934  -4.806
  195    H    THR  33           H        THR  33   1.500  -5.224  -3.175
  196    HA   THR  33           HA       THR  33  -0.756  -5.146  -1.304
  197    HB   THR  33           HB       THR  33   1.629  -6.852  -0.756
  198    HG1  THR  33           HG1      THR  33   0.728  -6.928  -3.134
  199   HG21  THR  33          3HG2      THR  33  -0.289  -6.868   0.765
  200   HG22  THR  33          1HG2      THR  33  -0.095  -8.437  -0.016
  201   HG23  THR  33          2HG2      THR  33  -1.351  -7.328  -0.566
  202    H    CYS  34           H        CYS  34  -0.556  -4.472   0.824
  203    HA   CYS  34           HA       CYS  34   1.633  -2.627   1.327
  204    HB2  CYS  34           2HB      CYS  34  -1.035  -3.119   2.601
  205    HB3  CYS  34           3HB      CYS  34   0.197  -2.216   3.474
  206    H    TYR  35           H        TYR  35   3.429  -3.366   2.151
  207    HA   TYR  35           HA       TYR  35   3.329  -5.311   4.366
  208    HB2  TYR  35           2HB      TYR  35   5.222  -5.152   2.028
  209    HB3  TYR  35           3HB      TYR  35   5.693  -5.949   3.521
  210    HD1  TYR  35           HD1      TYR  35   3.998  -7.796   4.378
  211    HD2  TYR  35           HD2      TYR  35   4.227  -6.412   0.356
  212    HE1  TYR  35           HE1      TYR  35   2.942  -9.877   3.606
  213    HE2  TYR  35           HE2      TYR  35   3.169  -8.491  -0.420
  214    HH   TYR  35           HH       TYR  35   2.871 -10.806   0.346
  215    H    TYR  36           H        TYR  36   5.190  -5.185   5.856
  216    HA   TYR  36           HA       TYR  36   5.897  -2.398   6.377
  217    HB2  TYR  36           2HB      TYR  36   4.902  -4.069   8.106
  218    HB3  TYR  36           3HB      TYR  36   6.540  -4.705   8.197
  219    HD1  TYR  36           HD2      TYR  36   4.374  -1.846   8.958
  220    HD2  TYR  36           HD1      TYR  36   8.321  -3.414   9.222
  221    HE1  TYR  36           HE2      TYR  36   4.954  -0.098  10.586
  222    HE2  TYR  36           HE1      TYR  36   8.911  -1.669  10.852
  223    HH   TYR  36           HH       TYR  36   8.150   0.574  11.505
  224    H    LEU  37           H        LEU  37   7.925  -1.605   6.325
  225    HA   LEU  37           HA       LEU  37  10.040  -3.363   5.309
  226    HB2  LEU  37           2HB      LEU  37   9.674  -0.372   5.264
  227    HB3  LEU  37           3HB      LEU  37  11.202  -1.128   4.858
  228    HG   LEU  37           HG       LEU  37   8.725  -1.970   3.405
  229   HD11  LEU  37          1HD1      LEU  37   8.594   0.413   3.254
  230   HD12  LEU  37          2HD1      LEU  37   9.225  -0.198   1.724
  231   HD13  LEU  37          3HD1      LEU  37  10.317   0.536   2.898
  232   HD21  LEU  37          3HD2      LEU  37  11.624  -1.712   2.601
  233   HD22  LEU  37          1HD2      LEU  37  10.323  -2.335   1.587
  234   HD23  LEU  37          2HD2      LEU  37  10.803  -3.208   3.042
  Start of MODEL    9
    1    H1   PCA   1           H        PCA   1  -8.632  10.833   4.509
    2    HA   PCA   1           HA       PCA   1  -6.791  10.762   2.582
    3    HB2  PCA   1           3HB      PCA   1  -4.870  10.941   4.011
    4    HB3  PCA   1           2HB      PCA   1  -5.030   9.146   4.137
    5    HG2  PCA   1           3HG      PCA   1  -5.353  10.254   6.330
    6    HG3  PCA   1           2HG      PCA   1  -4.892  11.777   5.527
    7    H    GLY   2           H        GLY   2  -6.840   8.868   1.387
    8    HA2  GLY   2           2HA      GLY   2  -8.276   6.584   2.589
    9    HA3  GLY   2           3HA      GLY   2  -8.375   7.037   0.894
   10    H    CYS   3           H        CYS   3  -5.924   6.145   3.320
   11    HA   CYS   3           HA       CYS   3  -4.394   4.767   1.231
   12    HB2  CYS   3           2HB      CYS   3  -2.548   4.753   2.851
   13    HB3  CYS   3           3HB      CYS   3  -3.157   6.383   2.593
   14    H    ALA   4           H        ALA   4  -3.566   2.628   1.599
   15    HA   ALA   4           HA       ALA   4  -5.463   0.943   3.039
   16    HB1  ALA   4           3HB      ALA   4  -4.874  -0.757   1.629
   17    HB2  ALA   4           1HB      ALA   4  -3.204  -0.207   1.490
   18    HB3  ALA   4           2HB      ALA   4  -4.482   0.625   0.605
   19    H    PHE   5           H        PHE   5  -4.845  -0.696   4.493
   20    HA   PHE   5           HA       PHE   5  -2.415  -0.071   5.998
   21    HB2  PHE   5           2HB      PHE   5  -3.476  -1.546   7.781
   22    HB3  PHE   5           3HB      PHE   5  -4.302  -0.037   7.434
   23    HD1  PHE   5           HD2      PHE   5  -4.404  -3.694   6.824
   24    HD2  PHE   5           HD1      PHE   5  -6.552  -0.019   6.780
   25    HE1  PHE   5           HE2      PHE   5  -6.506  -4.930   6.490
   26    HE2  PHE   5           HE1      PHE   5  -8.656  -1.249   6.450
   27    HZ   PHE   5           HZ       PHE   5  -8.635  -3.706   6.303
   28    H    GLU   6           H        GLU   6  -1.478  -2.128   7.148
   29    HA   GLU   6           HA       GLU   6  -0.243  -3.719   5.179
   30    HB2  GLU   6           2HB      GLU   6   0.522  -3.060   7.579
   31    HB3  GLU   6           3HB      GLU   6  -0.347  -4.501   8.076
   32    HG2  GLU   6           2HG      GLU   6   1.061  -5.842   6.559
   33    HG3  GLU   6           3HG      GLU   6   1.967  -4.386   6.151
   34    H    GLY   7           H        GLY   7  -0.739  -5.607   4.274
   35    HA2  GLY   7           2HA      GLY   7  -1.509  -7.872   4.382
   36    HA3  GLY   7           3HA      GLY   7  -2.665  -7.390   5.606
   37    H    GLU   8           H        GLU   8  -2.649  -5.178   3.017
   38    HA   GLU   8           HA       GLU   8  -4.722  -6.670   1.574
   39    HB2  GLU   8           2HB      GLU   8  -6.223  -4.742   1.506
   40    HB3  GLU   8           3HB      GLU   8  -5.914  -5.233   3.161
   41    HG2  GLU   8           2HG      GLU   8  -4.616  -3.343   3.603
   42    HG3  GLU   8           3HG      GLU   8  -4.371  -3.000   1.891
   43    H    SER   9           H        SER   9  -5.455  -5.223  -0.423
   44    HA   SER   9           HA       SER   9  -3.026  -4.751  -1.959
   45    HB2  SER   9           2HB      SER   9  -4.881  -6.206  -2.829
   46    HB3  SER   9           3HB      SER   9  -5.892  -4.765  -2.930
   47    HG   SER   9           HG       SER   9  -4.691  -4.011  -4.559
   48    H    CYS  10           H        CYS  10  -2.484  -2.856  -2.938
   49    HA   CYS  10           HA       CYS  10  -4.159  -0.489  -2.454
   50    HB2  CYS  10           2HB      CYS  10  -1.961   0.758  -2.015
   51    HB3  CYS  10           3HB      CYS  10  -2.546  -0.299  -0.737
   52    H    ASN  11           H        ASN  11  -4.439   0.736  -4.204
   53    HA   ASN  11           HA       ASN  11  -2.827   0.177  -6.587
   54    HB2  ASN  11           2HB      ASN  11  -5.622   1.036  -6.127
   55    HB3  ASN  11           3HB      ASN  11  -4.817   1.750  -7.522
   56   HD21  ASN  11          1HD2      ASN  11  -4.088   0.402  -9.186
   57   HD22  ASN  11          2HD2      ASN  11  -4.732  -1.186  -9.406
   58    H    VAL  12           H        VAL  12  -1.288   1.518  -7.161
   59    HA   VAL  12           HA       VAL  12  -0.861   4.015  -5.830
   60    HB   VAL  12           HB       VAL  12   1.121   4.264  -7.305
   61   HG11  VAL  12          1HG1      VAL  12   1.268   3.027  -5.198
   62   HG12  VAL  12          2HG1      VAL  12   2.378   2.388  -6.410
   63   HG13  VAL  12          3HG1      VAL  12   0.877   1.533  -6.051
   64   HG21  VAL  12          3HG2      VAL  12   1.782   2.430  -8.802
   65   HG22  VAL  12          1HG2      VAL  12   0.292   3.206  -9.341
   66   HG23  VAL  12          2HG2      VAL  12   0.227   1.646  -8.522
   67    H    GLN  13           H        GLN  13  -3.190   3.556  -7.896
   68    HA   GLN  13           HA       GLN  13  -2.695   5.925  -9.565
   69    HB2  GLN  13           2HB      GLN  13  -3.408   3.570 -10.477
   70    HB3  GLN  13           3HB      GLN  13  -5.011   4.061  -9.959
   71    HG2  GLN  13           2HG      GLN  13  -4.959   4.656 -12.198
   72    HG3  GLN  13           3HG      GLN  13  -4.603   6.170 -11.371
   73   HE21  GLN  13          1HE2      GLN  13  -2.522   7.023 -11.474
   74   HE22  GLN  13          2HE2      GLN  13  -1.370   6.495 -12.649
   75    H    PHE  14           H        PHE  14  -4.796   4.621  -7.074
   76    HA   PHE  14           HA       PHE  14  -5.993   7.249  -6.689
   77    HB2  PHE  14           2HB      PHE  14  -8.303   5.991  -6.452
   78    HB3  PHE  14           3HB      PHE  14  -7.745   6.549  -8.024
   79    HD1  PHE  14           HD1      PHE  14  -8.295   3.618  -5.896
   80    HD2  PHE  14           HD2      PHE  14  -7.066   5.003  -9.723
   81    HE1  PHE  14           HE1      PHE  14  -8.431   1.321  -6.764
   82    HE2  PHE  14           HE2      PHE  14  -7.204   2.710 -10.602
   83    HZ   PHE  14           HZ       PHE  14  -7.878   0.869  -9.119
   84    H    TYR  15           H        TYR  15  -5.277   4.042  -5.475
   85    HA   TYR  15           HA       TYR  15  -5.968   4.992  -2.771
   86    HB2  TYR  15           2HB      TYR  15  -7.453   3.135  -3.873
   87    HB3  TYR  15           3HB      TYR  15  -6.115   2.076  -3.451
   88    HD1  TYR  15           HD2      TYR  15  -8.701   4.334  -2.076
   89    HD2  TYR  15           HD1      TYR  15  -5.785   1.361  -1.201
   90    HE1  TYR  15           HE2      TYR  15  -9.614   4.117   0.196
   91    HE2  TYR  15           HE1      TYR  15  -6.694   1.134   1.073
   92    HH   TYR  15           HH       TYR  15  -9.677   2.452   2.003
   93    HA   PRO  16           HA       PRO  16  -1.499   3.811  -2.659
   94    HB2  PRO  16           2HB      PRO  16  -0.641   5.876  -1.123
   95    HB3  PRO  16           3HB      PRO  16  -0.886   6.034  -2.872
   96    HG2  PRO  16           2HG      PRO  16  -2.606   6.965  -0.636
   97    HG3  PRO  16           3HG      PRO  16  -2.260   7.735  -2.196
   98    HD2  PRO  16           2HD      PRO  16  -4.561   6.323  -1.625
   99    HD3  PRO  16           3HD      PRO  16  -3.933   6.615  -3.256
  100    H    CYS  17           H        CYS  17   0.005   3.614  -0.640
  101    HA   CYS  17           HA       CYS  17  -1.509   2.240   1.436
  102    HB2  CYS  17           2HB      CYS  17   0.590   1.326   0.237
  103    HB3  CYS  17           3HB      CYS  17   1.493   2.412   1.288
  104    H    CYS  18           H        CYS  18  -0.933   2.535   3.736
  105    HA   CYS  18           HA       CYS  18  -0.904   5.335   4.417
  106    HB2  CYS  18           2HB      CYS  18  -1.043   2.875   6.170
  107    HB3  CYS  18           3HB      CYS  18  -1.235   4.529   6.740
  108    HA   PRO  19           HA       PRO  19   3.586   5.130   5.135
  109    HB2  PRO  19           2HB      PRO  19   4.111   7.755   4.813
  110    HB3  PRO  19           3HB      PRO  19   3.776   6.695   3.431
  111    HG2  PRO  19           2HG      PRO  19   2.020   8.695   4.741
  112    HG3  PRO  19           3HG      PRO  19   2.148   8.248   3.029
  113    HD2  PRO  19           2HD      PRO  19   0.185   7.348   4.794
  114    HD3  PRO  19           3HD      PRO  19   0.593   6.610   3.234
  115    H    GLY  20           H        GLY  20   5.099   6.511   6.600
  116    HA2  GLY  20           2HA      GLY  20   5.361   7.845   8.571
  117    HA3  GLY  20           3HA      GLY  20   3.697   7.484   8.997
  118    H    LEU  21           H        LEU  21   3.774   4.680   8.631
  119    HA   LEU  21           HA       LEU  21   5.170   3.917  11.068
  120    HB2  LEU  21           2HB      LEU  21   3.188   2.445   9.332
  121    HB3  LEU  21           3HB      LEU  21   3.919   1.761  10.769
  122    HG   LEU  21           HG       LEU  21   2.905   3.944  11.895
  123   HD11  LEU  21          1HD1      LEU  21   0.726   4.496  10.932
  124   HD12  LEU  21          2HD1      LEU  21   1.069   3.450   9.554
  125   HD13  LEU  21          3HD1      LEU  21   2.041   4.895   9.827
  126   HD21  LEU  21          3HD2      LEU  21   1.316   1.478  11.195
  127   HD22  LEU  21          1HD2      LEU  21   0.932   2.613  12.490
  128   HD23  LEU  21          2HD2      LEU  21   2.415   1.662  12.562
  129    H    GLY  22           H        GLY  22   5.174   3.114   7.627
  130    HA2  GLY  22           2HA      GLY  22   7.458   2.627   6.734
  131    HA3  GLY  22           3HA      GLY  22   7.604   1.485   8.060
  132    H    LEU  23           H        LEU  23   5.011   2.160   5.716
  133    HA   LEU  23           HA       LEU  23   5.016  -0.699   5.002
  134    HB2  LEU  23           2HB      LEU  23   2.734   1.279   4.897
  135    HB3  LEU  23           3HB      LEU  23   2.643  -0.388   4.371
  136    HG   LEU  23           HG       LEU  23   3.357   0.291   7.214
  137   HD11  LEU  23          1HD1      LEU  23   1.000   0.088   7.797
  138   HD12  LEU  23          2HD1      LEU  23   0.580  -0.053   6.090
  139   HD13  LEU  23          3HD1      LEU  23   1.265   1.450   6.709
  140   HD21  LEU  23          3HD2      LEU  23   1.970  -2.102   6.011
  141   HD22  LEU  23          1HD2      LEU  23   2.520  -1.918   7.676
  142   HD23  LEU  23          2HD2      LEU  23   3.695  -2.022   6.366
  143    H    THR  24           H        THR  24   4.711  -1.292   2.833
  144    HA   THR  24           HA       THR  24   4.911   0.821   0.820
  145    HB   THR  24           HB       THR  24   7.232   0.199   1.248
  146    HG1  THR  24           HG1      THR  24   7.701  -0.580  -0.961
  147   HG21  THR  24          3HG2      THR  24   8.096  -2.048   0.770
  148   HG22  THR  24          1HG2      THR  24   6.454  -2.623   0.481
  149   HG23  THR  24          2HG2      THR  24   6.929  -2.085   2.091
  150    H    CYS  25           H        CYS  25   4.336   0.177  -1.320
  151    HA   CYS  25           HA       CYS  25   2.435  -2.043  -1.372
  152    HB2  CYS  25           2HB      CYS  25   2.832   0.393  -3.103
  153    HB3  CYS  25           3HB      CYS  25   1.783  -0.929  -3.589
  154    H    ILE  26           H        ILE  26   2.937  -3.901  -2.332
  155    HA   ILE  26           HA       ILE  26   5.000  -3.909  -4.432
  156    HB   ILE  26           HB       ILE  26   4.669  -6.042  -2.297
  157   HG12  ILE  26          2HG1      ILE  26   7.186  -4.471  -2.612
  158   HG13  ILE  26          3HG1      ILE  26   5.819  -3.660  -1.858
  159   HG21  ILE  26          1HG2      ILE  26   5.406  -6.975  -4.443
  160   HG22  ILE  26          2HG2      ILE  26   6.689  -7.052  -3.237
  161   HG23  ILE  26          3HG2      ILE  26   6.735  -5.816  -4.494
  162   HD11  ILE  26          3HD1      ILE  26   7.025  -6.255  -0.922
  163   HD12  ILE  26          1HD1      ILE  26   5.724  -5.359  -0.141
  164   HD13  ILE  26          2HD1      ILE  26   7.343  -4.667  -0.224
  165    HA   PRO  27           HA       PRO  27   5.530  -4.680  -6.302
  166    HB2  PRO  27           2HB      PRO  27   4.220  -4.368  -8.859
  167    HB3  PRO  27           3HB      PRO  27   5.499  -5.508  -8.412
  168    HG2  PRO  27           2HG      PRO  27   2.944  -6.235  -9.036
  169    HG3  PRO  27           3HG      PRO  27   4.043  -7.196  -8.027
  170    HD2  PRO  27           2HD      PRO  27   1.791  -5.423  -7.214
  171    HD3  PRO  27           3HD      PRO  27   2.323  -6.966  -6.515
  172    H    GLY  28           H        GLY  28   2.295  -3.418  -7.117
  173    HA2  GLY  28           2HA      GLY  28   1.512  -1.244  -6.716
  174    HA3  GLY  28           3HA      GLY  28   3.164  -0.719  -6.436
  175    H    ASN  29           H        ASN  29   2.150  -2.547  -9.268
  176    HA   ASN  29           HA       ASN  29   2.126  -0.145 -10.914
  177    HB2  ASN  29           2HB      ASN  29   3.692  -1.280 -12.588
  178    HB3  ASN  29           3HB      ASN  29   4.415  -0.603 -11.138
  179   HD21  ASN  29          1HD2      ASN  29   3.683  -3.487 -12.901
  180   HD22  ASN  29          2HD2      ASN  29   4.620  -4.570 -11.935
  181    HA   PRO  30           HA       PRO  30   0.258   0.382 -10.738
  182    HB2  PRO  30           2HB      PRO  30  -2.442   0.484 -10.899
  183    HB3  PRO  30           3HB      PRO  30  -1.390   0.889 -12.265
  184    HG2  PRO  30           2HG      PRO  30  -3.104  -1.458 -11.867
  185    HG3  PRO  30           3HG      PRO  30  -2.465  -0.764 -13.365
  186    HD2  PRO  30           2HD      PRO  30  -1.476  -3.032 -11.918
  187    HD3  PRO  30           3HD      PRO  30  -0.837  -2.326 -13.413
  188    H    ASP  31           H        ASP  31  -1.322  -2.665 -10.012
  189    HA   ASP  31           HA       ASP  31  -2.138  -1.798  -7.359
  190    HB2  ASP  31           2HB      ASP  31  -3.100  -4.121  -7.187
  191    HB3  ASP  31           3HB      ASP  31  -3.770  -3.130  -8.475
  192    H    GLY  32           H        GLY  32  -1.535  -2.839  -5.428
  193    HA2  GLY  32           2HA      GLY  32   0.720  -4.670  -5.431
  194    HA3  GLY  32           3HA      GLY  32   1.053  -3.074  -4.779
  195    H    THR  33           H        THR  33   1.568  -4.604  -2.929
  196    HA   THR  33           HA       THR  33  -0.828  -4.868  -1.228
  197    HB   THR  33           HB       THR  33   1.496  -6.688  -0.757
  198    HG1  THR  33           HG1      THR  33  -0.351  -7.896  -2.326
  199   HG21  THR  33          3HG2      THR  33  -1.496  -7.036  -0.495
  200   HG22  THR  33          1HG2      THR  33  -0.379  -6.658   0.817
  201   HG23  THR  33          2HG2      THR  33  -0.277  -8.214  -0.007
  202    H    CYS  34           H        CYS  34  -0.587  -4.293   0.934
  203    HA   CYS  34           HA       CYS  34   1.668  -2.536   1.474
  204    HB2  CYS  34           2HB      CYS  34  -0.983  -2.983   2.818
  205    HB3  CYS  34           3HB      CYS  34   0.293  -2.061   3.606
  206    H    TYR  35           H        TYR  35   3.430  -3.340   2.289
  207    HA   TYR  35           HA       TYR  35   3.268  -5.313   4.472
  208    HB2  TYR  35           2HB      TYR  35   5.073  -5.262   2.070
  209    HB3  TYR  35           3HB      TYR  35   5.611  -6.025   3.560
  210    HD1  TYR  35           HD2      TYR  35   4.058  -7.863   4.546
  211    HD2  TYR  35           HD1      TYR  35   3.820  -6.484   0.523
  212    HE1  TYR  35           HE2      TYR  35   2.900  -9.935   3.909
  213    HE2  TYR  35           HE1      TYR  35   2.664  -8.557  -0.120
  214    HH   TYR  35           HH       TYR  35   2.440 -10.866   0.680
  215    H    TYR  36           H        TYR  36   5.130  -5.272   5.952
  216    HA   TYR  36           HA       TYR  36   5.988  -2.526   6.453
  217    HB2  TYR  36           2HB      TYR  36   4.931  -4.132   8.200
  218    HB3  TYR  36           3HB      TYR  36   6.530  -4.863   8.269
  219    HD1  TYR  36           HD1      TYR  36   4.563  -1.851   9.018
  220    HD2  TYR  36           HD2      TYR  36   8.380  -3.707   9.307
  221    HE1  TYR  36           HE1      TYR  36   5.267  -0.140  10.638
  222    HE2  TYR  36           HE2      TYR  36   9.094  -2.001  10.927
  223    HH   TYR  36           HH       TYR  36   6.925   0.124  12.435
  224    H    LEU  37           H        LEU  37   8.049  -1.830   6.375
  225    HA   LEU  37           HA       LEU  37  10.064  -3.679   5.324
  226    HB2  LEU  37           2HB      LEU  37   9.854  -0.674   5.329
  227    HB3  LEU  37           3HB      LEU  37  11.335  -1.502   4.892
  228    HG   LEU  37           HG       LEU  37   8.800  -2.188   3.456
  229   HD11  LEU  37          1HD1      LEU  37  10.509   0.247   2.995
  230   HD12  LEU  37          2HD1      LEU  37   8.777   0.189   3.320
  231   HD13  LEU  37          3HD1      LEU  37   9.408  -0.419   1.790
  232   HD21  LEU  37          3HD2      LEU  37  10.800  -3.532   3.049
  233   HD22  LEU  37          1HD2      LEU  37  11.701  -2.076   2.624
  234   HD23  LEU  37          2HD2      LEU  37  10.357  -2.608   1.614
  Start of MODEL   10
    1    H1   PCA   1           H        PCA   1 -11.641   7.433   4.409
    2    HA   PCA   1           HA       PCA   1  -9.406   6.894   5.028
    3    HB2  PCA   1           3HB      PCA   1  -9.738   4.558   5.468
    4    HB3  PCA   1           2HB      PCA   1  -8.952   4.333   3.857
    5    HG2  PCA   1           3HG      PCA   1 -11.288   3.507   3.863
    6    HG3  PCA   1           2HG      PCA   1 -11.306   3.837   5.615
    7    H    GLY   2           H        GLY   2  -7.575   7.386   3.858
    8    HA2  GLY   2           2HA      GLY   2  -7.887   7.651   0.948
    9    HA3  GLY   2           3HA      GLY   2  -6.734   8.529   1.941
   10    H    CYS   3           H        CYS   3  -5.392   6.671   3.296
   11    HA   CYS   3           HA       CYS   3  -4.010   5.182   1.185
   12    HB2  CYS   3           2HB      CYS   3  -2.138   5.051   2.777
   13    HB3  CYS   3           3HB      CYS   3  -2.641   6.716   2.505
   14    H    ALA   4           H        ALA   4  -3.286   3.000   1.557
   15    HA   ALA   4           HA       ALA   4  -5.257   1.428   3.023
   16    HB1  ALA   4           3HB      ALA   4  -4.868  -0.233   1.540
   17    HB2  ALA   4           1HB      ALA   4  -3.126   0.047   1.527
   18    HB3  ALA   4           2HB      ALA   4  -4.192   1.077   0.572
   19    H    PHE   5           H        PHE   5  -4.725  -0.216   4.494
   20    HA   PHE   5           HA       PHE   5  -2.234   0.266   5.953
   21    HB2  PHE   5           2HB      PHE   5  -3.375  -1.089   7.785
   22    HB3  PHE   5           3HB      PHE   5  -4.080   0.476   7.421
   23    HD1  PHE   5           HD2      PHE   5  -4.493  -3.170   6.867
   24    HD2  PHE   5           HD1      PHE   5  -6.335   0.667   6.824
   25    HE1  PHE   5           HE2      PHE   5  -6.694  -4.234   6.593
   26    HE2  PHE   5           HE1      PHE   5  -8.539  -0.390   6.555
   27    HZ   PHE   5           HZ       PHE   5  -8.721  -2.843   6.438
   28    H    GLU   6           H        GLU   6  -1.383  -1.784   7.114
   29    HA   GLU   6           HA       GLU   6  -0.291  -3.519   5.206
   30    HB2  GLU   6           2HB      GLU   6   0.472  -2.875   7.623
   31    HB3  GLU   6           3HB      GLU   6  -0.474  -4.274   8.101
   32    HG2  GLU   6           2HG      GLU   6   0.890  -5.662   6.564
   33    HG3  GLU   6           3HG      GLU   6   1.889  -4.248   6.236
   34    H    GLY   7           H        GLY   7  -0.925  -5.367   4.315
   35    HA2  GLY   7           2HA      GLY   7  -1.850  -7.593   4.543
   36    HA3  GLY   7           3HA      GLY   7  -3.061  -6.929   5.622
   37    H    GLU   8           H        GLU   8  -3.320  -4.610   3.557
   38    HA   GLU   8           HA       GLU   8  -5.144  -6.104   1.797
   39    HB2  GLU   8           2HB      GLU   8  -6.491  -4.073   1.607
   40    HB3  GLU   8           3HB      GLU   8  -6.298  -4.545   3.285
   41    HG2  GLU   8           2HG      GLU   8  -4.873  -2.749   3.746
   42    HG3  GLU   8           3HG      GLU   8  -4.543  -2.459   2.038
   43    H    SER   9           H        SER   9  -5.684  -4.675  -0.264
   44    HA   SER   9           HA       SER   9  -3.164  -4.406  -1.701
   45    HB2  SER   9           2HB      SER   9  -4.652  -4.315  -3.723
   46    HB3  SER   9           3HB      SER   9  -4.812  -5.793  -2.776
   47    HG   SER   9           HG       SER   9  -6.568  -4.240  -1.737
   48    H    CYS  10           H        CYS  10  -2.521  -2.591  -2.804
   49    HA   CYS  10           HA       CYS  10  -4.053  -0.116  -2.399
   50    HB2  CYS  10           2HB      CYS  10  -1.776   1.014  -2.033
   51    HB3  CYS  10           3HB      CYS  10  -2.416   0.052  -0.707
   52    H    ASN  11           H        ASN  11  -4.293   1.052  -4.186
   53    HA   ASN  11           HA       ASN  11  -2.744   0.331  -6.567
   54    HB2  ASN  11           2HB      ASN  11  -5.480   1.355  -6.100
   55    HB3  ASN  11           3HB      ASN  11  -4.657   1.991  -7.521
   56   HD21  ASN  11          1HD2      ASN  11  -4.037   0.572  -9.166
   57   HD22  ASN  11          2HD2      ASN  11  -4.762  -0.986  -9.337
   58    H    VAL  12           H        VAL  12  -1.145   1.568  -7.209
   59    HA   VAL  12           HA       VAL  12  -0.547   4.066  -5.950
   60    HB   VAL  12           HB       VAL  12   1.412   4.166  -7.476
   61   HG11  VAL  12          1HG1      VAL  12   1.532   2.976  -5.339
   62   HG12  VAL  12          2HG1      VAL  12   2.580   2.248  -6.556
   63   HG13  VAL  12          3HG1      VAL  12   1.044   1.485  -6.146
   64   HG21  VAL  12          3HG2      VAL  12   0.476   3.105  -9.465
   65   HG22  VAL  12          1HG2      VAL  12   0.341   1.572  -8.602
   66   HG23  VAL  12          2HG2      VAL  12   1.931   2.258  -8.937
   67    H    GLN  13           H        GLN  13  -2.929   3.675  -7.994
   68    HA   GLN  13           HA       GLN  13  -2.336   5.987  -9.708
   69    HB2  GLN  13           2HB      GLN  13  -3.192   3.658 -10.559
   70    HB3  GLN  13           3HB      GLN  13  -4.757   4.248 -10.030
   71    HG2  GLN  13           2HG      GLN  13  -4.706   4.795 -12.282
   72    HG3  GLN  13           3HG      GLN  13  -4.253   6.303 -11.491
   73   HE21  GLN  13          1HE2      GLN  13  -3.158   3.632 -13.424
   74   HE22  GLN  13          2HE2      GLN  13  -1.657   4.334 -13.913
   75    H    PHE  14           H        PHE  14  -4.461   4.861  -7.150
   76    HA   PHE  14           HA       PHE  14  -5.503   7.559  -6.809
   77    HB2  PHE  14           2HB      PHE  14  -7.881   6.449  -6.524
   78    HB3  PHE  14           3HB      PHE  14  -7.307   6.937  -8.113
   79    HD1  PHE  14           HD1      PHE  14  -8.005   4.091  -5.914
   80    HD2  PHE  14           HD2      PHE  14  -6.746   5.317  -9.785
   81    HE1  PHE  14           HE1      PHE  14  -8.289   1.788  -6.729
   82    HE2  PHE  14           HE2      PHE  14  -7.031   3.019 -10.612
   83    HZ   PHE  14           HZ       PHE  14  -7.794   1.253  -9.079
   84    H    TYR  15           H        TYR  15  -4.964   4.340  -5.536
   85    HA   TYR  15           HA       TYR  15  -5.586   5.378  -2.847
   86    HB2  TYR  15           2HB      TYR  15  -7.181   3.595  -3.886
   87    HB3  TYR  15           3HB      TYR  15  -5.892   2.463  -3.500
   88    HD1  TYR  15           HD1      TYR  15  -8.297   4.874  -2.045
   89    HD2  TYR  15           HD2      TYR  15  -5.564   1.706  -1.271
   90    HE1  TYR  15           HE1      TYR  15  -9.164   4.694   0.248
   91    HE2  TYR  15           HE2      TYR  15  -6.426   1.518   1.024
   92    HH   TYR  15           HH       TYR  15  -9.290   3.021   2.044
   93    HA   PRO  16           HA       PRO  16  -1.181   3.972  -2.731
   94    HB2  PRO  16           2HB      PRO  16  -0.210   6.021  -1.239
   95    HB3  PRO  16           3HB      PRO  16  -0.451   6.154  -2.991
   96    HG2  PRO  16           2HG      PRO  16  -2.112   7.223  -0.773
   97    HG3  PRO  16           3HG      PRO  16  -1.733   7.938  -2.352
   98    HD2  PRO  16           2HD      PRO  16  -4.102   6.662  -1.741
   99    HD3  PRO  16           3HD      PRO  16  -3.468   6.885  -3.380
  100    H    CYS  17           H        CYS  17   0.311   3.683  -0.739
  101    HA   CYS  17           HA       CYS  17  -1.264   2.460   1.382
  102    HB2  CYS  17           2HB      CYS  17   0.770   1.400   0.186
  103    HB3  CYS  17           3HB      CYS  17   1.742   2.444   1.216
  104    H    CYS  18           H        CYS  18  -0.628   2.754   3.674
  105    HA   CYS  18           HA       CYS  18  -0.448   5.560   4.306
  106    HB2  CYS  18           2HB      CYS  18  -0.695   3.134   6.093
  107    HB3  CYS  18           3HB      CYS  18  -0.775   4.801   6.651
  108    HA   PRO  19           HA       PRO  19   4.036   5.143   4.969
  109    HB2  PRO  19           2HB      PRO  19   4.686   7.731   4.579
  110    HB3  PRO  19           3HB      PRO  19   4.281   6.658   3.227
  111    HG2  PRO  19           2HG      PRO  19   2.647   8.775   4.507
  112    HG3  PRO  19           3HG      PRO  19   2.726   8.277   2.807
  113    HD2  PRO  19           2HD      PRO  19   0.749   7.524   4.626
  114    HD3  PRO  19           3HD      PRO  19   1.089   6.732   3.076
  115    H    GLY  20           H        GLY  20   5.636   6.485   6.382
  116    HA2  GLY  20           2HA      GLY  20   6.018   7.817   8.322
  117    HA3  GLY  20           3HA      GLY  20   4.328   7.619   8.756
  118    H    LEU  21           H        LEU  21   4.154   4.810   8.480
  119    HA   LEU  21           HA       LEU  21   5.472   4.001  10.945
  120    HB2  LEU  21           2HB      LEU  21   3.389   2.646   9.231
  121    HB3  LEU  21           3HB      LEU  21   4.047   1.950  10.697
  122    HG   LEU  21           HG       LEU  21   2.795   4.657  10.851
  123   HD11  LEU  21          1HD1      LEU  21   1.258   2.066  10.742
  124   HD12  LEU  21          2HD1      LEU  21   1.186   3.373   9.560
  125   HD13  LEU  21          3HD1      LEU  21   0.596   3.634  11.201
  126   HD21  LEU  21          3HD2      LEU  21   2.163   3.855  13.076
  127   HD22  LEU  21          1HD2      LEU  21   3.901   3.716  12.814
  128   HD23  LEU  21          2HD2      LEU  21   2.877   2.284  12.715
  129    H    GLY  22           H        GLY  22   5.435   3.099   7.527
  130    HA2  GLY  22           2HA      GLY  22   7.680   2.405   6.674
  131    HA3  GLY  22           3HA      GLY  22   7.720   1.293   8.033
  132    H    LEU  23           H        LEU  23   5.243   2.111   5.607
  133    HA   LEU  23           HA       LEU  23   5.041  -0.759   4.966
  134    HB2  LEU  23           2HB      LEU  23   2.887   1.357   4.834
  135    HB3  LEU  23           3HB      LEU  23   2.692  -0.306   4.320
  136    HG   LEU  23           HG       LEU  23   3.439   0.355   7.160
  137   HD11  LEU  23          1HD1      LEU  23   1.074   0.298   7.737
  138   HD12  LEU  23          2HD1      LEU  23   0.650   0.158   6.031
  139   HD13  LEU  23          3HD1      LEU  23   1.419   1.628   6.632
  140   HD21  LEU  23          3HD2      LEU  23   1.898  -1.963   6.000
  141   HD22  LEU  23          1HD2      LEU  23   2.503  -1.797   7.648
  142   HD23  LEU  23          2HD2      LEU  23   3.634  -1.987   6.309
  143    H    THR  24           H        THR  24   4.728  -1.373   2.814
  144    HA   THR  24           HA       THR  24   5.048   0.687   0.761
  145    HB   THR  24           HB       THR  24   7.328  -0.059   1.210
  146    HG1  THR  24           HG1      THR  24   6.259   0.083  -1.095
  147   HG21  THR  24          3HG2      THR  24   8.057  -2.366   0.767
  148   HG22  THR  24          1HG2      THR  24   6.380  -2.846   0.509
  149   HG23  THR  24          2HG2      THR  24   6.905  -2.300   2.100
  150    H    CYS  25           H        CYS  25   4.438   0.035  -1.370
  151    HA   CYS  25           HA       CYS  25   2.409  -2.068  -1.379
  152    HB2  CYS  25           2HB      CYS  25   2.963   0.285  -3.185
  153    HB3  CYS  25           3HB      CYS  25   1.812  -0.972  -3.608
  154    H    ILE  26           H        ILE  26   2.800  -3.976  -2.292
  155    HA   ILE  26           HA       ILE  26   4.850  -4.155  -4.397
  156    HB   ILE  26           HB       ILE  26   4.418  -6.214  -2.209
  157   HG12  ILE  26          2HG1      ILE  26   7.010  -4.780  -2.574
  158   HG13  ILE  26          3HG1      ILE  26   5.691  -3.891  -1.822
  159   HG21  ILE  26          1HG2      ILE  26   6.380  -7.350  -3.134
  160   HG22  ILE  26          2HG2      ILE  26   6.477  -6.149  -4.423
  161   HG23  ILE  26          3HG2      ILE  26   5.092  -7.237  -4.334
  162   HD11  ILE  26          3HD1      ILE  26   5.528  -5.567  -0.080
  163   HD12  ILE  26          1HD1      ILE  26   7.170  -4.935  -0.179
  164   HD13  ILE  26          2HD1      ILE  26   6.793  -6.521  -0.854
  165    HA   PRO  27           HA       PRO  27   5.314  -4.986  -6.255
  166    HB2  PRO  27           2HB      PRO  27   3.997  -4.662  -8.805
  167    HB3  PRO  27           3HB      PRO  27   5.218  -5.858  -8.345
  168    HG2  PRO  27           2HG      PRO  27   2.621  -6.462  -8.929
  169    HG3  PRO  27           3HG      PRO  27   3.680  -7.458  -7.912
  170    HD2  PRO  27           2HD      PRO  27   1.532  -5.554  -7.112
  171    HD3  PRO  27           3HD      PRO  27   1.993  -7.107  -6.386
  172    H    GLY  28           H        GLY  28   2.142  -3.573  -7.073
  173    HA2  GLY  28           2HA      GLY  28   1.481  -1.351  -6.712
  174    HA3  GLY  28           3HA      GLY  28   3.162  -0.910  -6.464
  175    H    ASN  29           H        ASN  29   2.006  -2.746  -9.238
  176    HA   ASN  29           HA       ASN  29   2.090  -0.388 -10.943
  177    HB2  ASN  29           2HB      ASN  29   3.573  -1.644 -12.607
  178    HB3  ASN  29           3HB      ASN  29   4.349  -0.969 -11.183
  179   HD21  ASN  29          1HD2      ASN  29   3.448  -3.853 -12.864
  180   HD22  ASN  29          2HD2      ASN  29   4.340  -4.960 -11.882
  181    HA   PRO  30           HA       PRO  30   0.257   0.250 -10.779
  182    HB2  PRO  30           2HB      PRO  30  -2.436   0.490 -10.910
  183    HB3  PRO  30           3HB      PRO  30  -1.382   0.797 -12.301
  184    HG2  PRO  30           2HG      PRO  30  -3.210  -1.444 -11.811
  185    HG3  PRO  30           3HG      PRO  30  -2.558  -0.828 -13.337
  186    HD2  PRO  30           2HD      PRO  30  -1.669  -3.103 -11.839
  187    HD3  PRO  30           3HD      PRO  30  -1.011  -2.471 -13.359
  188    H    ASP  31           H        ASP  31  -1.477  -2.683  -9.940
  189    HA   ASP  31           HA       ASP  31  -2.210  -1.694  -7.307
  190    HB2  ASP  31           2HB      ASP  31  -3.292  -3.956  -7.052
  191    HB3  ASP  31           3HB      ASP  31  -3.925  -2.971  -8.363
  192    H    GLY  32           H        GLY  32  -1.637  -2.708  -5.349
  193    HA2  GLY  32           2HA      GLY  32   0.534  -4.643  -5.336
  194    HA3  GLY  32           3HA      GLY  32   0.935  -3.052  -4.711
  195    H    THR  33           H        THR  33   1.393  -4.641  -2.867
  196    HA   THR  33           HA       THR  33  -0.992  -4.773  -1.137
  197    HB   THR  33           HB       THR  33   1.284  -6.659  -0.674
  198    HG1  THR  33           HG1      THR  33   0.959  -7.510  -2.590
  199   HG21  THR  33          3HG2      THR  33  -0.544  -6.549   0.950
  200   HG22  THR  33          1HG2      THR  33  -0.525  -8.116   0.140
  201   HG23  THR  33          2HG2      THR  33  -1.711  -6.897  -0.326
  202    H    CYS  34           H        CYS  34  -0.736  -4.127   0.990
  203    HA   CYS  34           HA       CYS  34   1.590  -2.459   1.495
  204    HB2  CYS  34           2HB      CYS  34  -1.089  -2.766   2.816
  205    HB3  CYS  34           3HB      CYS  34   0.216  -1.911   3.629
  206    H    TYR  35           H        TYR  35   3.326  -3.353   2.299
  207    HA   TYR  35           HA       TYR  35   3.079  -5.269   4.526
  208    HB2  TYR  35           2HB      TYR  35   4.870  -5.340   2.118
  209    HB3  TYR  35           3HB      TYR  35   5.395  -6.087   3.620
  210    HD1  TYR  35           HD2      TYR  35   3.793  -7.846   4.662
  211    HD2  TYR  35           HD1      TYR  35   3.548  -6.544   0.614
  212    HE1  TYR  35           HE2      TYR  35   2.552  -9.888   4.085
  213    HE2  TYR  35           HE1      TYR  35   2.309  -8.587   0.031
  214    HH   TYR  35           HH       TYR  35   0.986 -10.667   2.360
  215    H    TYR  36           H        TYR  36   4.912  -5.281   6.021
  216    HA   TYR  36           HA       TYR  36   5.916  -2.576   6.471
  217    HB2  TYR  36           2HB      TYR  36   4.759  -4.109   8.235
  218    HB3  TYR  36           3HB      TYR  36   6.333  -4.887   8.347
  219    HD1  TYR  36           HD2      TYR  36   4.431  -1.829   9.030
  220    HD2  TYR  36           HD1      TYR  36   8.222  -3.734   9.343
  221    HE1  TYR  36           HE2      TYR  36   5.164  -0.098  10.614
  222    HE2  TYR  36           HE1      TYR  36   8.965  -2.008  10.929
  223    HH   TYR  36           HH       TYR  36   8.406   0.312  11.522
  224    H    LEU  37           H        LEU  37   8.012  -1.996   6.394
  225    HA   LEU  37           HA       LEU  37   9.933  -3.984   5.417
  226    HB2  LEU  37           2HB      LEU  37   9.887  -0.972   5.321
  227    HB3  LEU  37           3HB      LEU  37  11.319  -1.897   4.916
  228    HG   LEU  37           HG       LEU  37   8.752  -2.483   3.495
  229   HD11  LEU  37          1HD1      LEU  37   8.869  -0.113   3.285
  230   HD12  LEU  37          2HD1      LEU  37   9.459  -0.807   1.775
  231   HD13  LEU  37          3HD1      LEU  37  10.601  -0.169   2.957
  232   HD21  LEU  37          3HD2      LEU  37  10.673  -3.953   3.140
  233   HD22  LEU  37          1HD2      LEU  37  11.655  -2.566   2.669
  234   HD23  LEU  37          2HD2      LEU  37  10.285  -3.054   1.673
  Start of MODEL   11
    1    H1   PCA   1           H        PCA   1  -9.055   8.538   5.858
    2    HA   PCA   1           HA       PCA   1  -8.219  10.560   4.917
    3    HB2  PCA   1           3HB      PCA   1  -6.050  10.532   5.942
    4    HB3  PCA   1           2HB      PCA   1  -5.491   9.982   4.315
    5    HG2  PCA   1           3HG      PCA   1  -5.090   8.262   6.054
    6    HG3  PCA   1           2HG      PCA   1  -5.633   9.471   7.246
    7    H    GLY   2           H        GLY   2  -7.079   7.393   3.740
    8    HA2  GLY   2           2HA      GLY   2  -8.221   6.892   1.482
    9    HA3  GLY   2           3HA      GLY   2  -7.333   8.312   0.954
   10    H    CYS   3           H        CYS   3  -6.207   5.789   3.163
   11    HA   CYS   3           HA       CYS   3  -4.342   4.813   1.114
   12    HB2  CYS   3           2HB      CYS   3  -2.507   4.792   2.752
   13    HB3  CYS   3           3HB      CYS   3  -3.106   6.425   2.484
   14    H    ALA   4           H        ALA   4  -3.524   2.672   1.485
   15    HA   ALA   4           HA       ALA   4  -5.433   0.993   2.912
   16    HB1  ALA   4           3HB      ALA   4  -3.162  -0.174   1.397
   17    HB2  ALA   4           1HB      ALA   4  -4.419   0.669   0.489
   18    HB3  ALA   4           2HB      ALA   4  -4.839  -0.706   1.510
   19    H    PHE   5           H        PHE   5  -4.840  -0.630   4.387
   20    HA   PHE   5           HA       PHE   5  -2.420  -0.011   5.910
   21    HB2  PHE   5           2HB      PHE   5  -3.511  -1.457   7.698
   22    HB3  PHE   5           3HB      PHE   5  -4.319   0.056   7.327
   23    HD1  PHE   5           HD2      PHE   5  -4.451  -3.606   6.746
   24    HD2  PHE   5           HD1      PHE   5  -6.563   0.089   6.660
   25    HE1  PHE   5           HE2      PHE   5  -6.561  -4.824   6.404
   26    HE2  PHE   5           HE1      PHE   5  -8.677  -1.124   6.323
   27    HZ   PHE   5           HZ       PHE   5  -8.677  -3.582   6.194
   28    H    GLU   6           H        GLU   6  -1.502  -2.053   7.084
   29    HA   GLU   6           HA       GLU   6  -0.258  -3.677   5.153
   30    HB2  GLU   6           2HB      GLU   6   0.472  -3.005   7.560
   31    HB3  GLU   6           3HB      GLU   6  -0.417  -4.435   8.054
   32    HG2  GLU   6           2HG      GLU   6   1.006  -5.797   6.567
   33    HG3  GLU   6           3HG      GLU   6   1.932  -4.351   6.171
   34    H    GLY   7           H        GLY   7  -0.759  -5.563   4.250
   35    HA2  GLY   7           2HA      GLY   7  -1.545  -7.822   4.361
   36    HA3  GLY   7           3HA      GLY   7  -2.718  -7.325   5.562
   37    H    GLU   8           H        GLU   8  -2.734  -5.071   3.055
   38    HA   GLU   8           HA       GLU   8  -4.756  -6.579   1.551
   39    HB2  GLU   8           2HB      GLU   8  -6.260  -4.657   1.476
   40    HB3  GLU   8           3HB      GLU   8  -5.961  -5.147   3.134
   41    HG2  GLU   8           2HG      GLU   8  -4.715  -3.246   3.603
   42    HG3  GLU   8           3HG      GLU   8  -4.378  -2.928   1.903
   43    H    SER   9           H        SER   9  -5.472  -5.114  -0.444
   44    HA   SER   9           HA       SER   9  -3.031  -4.653  -1.959
   45    HB2  SER   9           2HB      SER   9  -4.602  -4.547  -3.916
   46    HB3  SER   9           3HB      SER   9  -4.660  -6.067  -3.026
   47    HG   SER   9           HG       SER   9  -6.448  -4.727  -1.843
   48    H    CYS  10           H        CYS  10  -2.549  -2.781  -3.070
   49    HA   CYS  10           HA       CYS  10  -4.153  -0.384  -2.531
   50    HB2  CYS  10           2HB      CYS  10  -1.913   0.827  -2.143
   51    HB3  CYS  10           3HB      CYS  10  -2.522  -0.184  -0.839
   52    H    ASN  11           H        ASN  11  -4.458   0.810  -4.295
   53    HA   ASN  11           HA       ASN  11  -2.903   0.211  -6.704
   54    HB2  ASN  11           2HB      ASN  11  -5.641   1.236  -6.180
   55    HB3  ASN  11           3HB      ASN  11  -4.831   1.848  -7.619
   56   HD21  ASN  11          1HD2      ASN  11  -4.161   0.362  -9.217
   57   HD22  ASN  11          2HD2      ASN  11  -4.940  -1.172  -9.378
   58    H    VAL  12           H        VAL  12  -1.308   1.486  -7.282
   59    HA   VAL  12           HA       VAL  12  -0.743   3.958  -5.968
   60    HB   VAL  12           HB       VAL  12   1.194   4.129  -7.535
   61   HG11  VAL  12          1HG1      VAL  12   1.401   2.972  -5.405
   62   HG12  VAL  12          2HG1      VAL  12   2.400   2.201  -6.638
   63   HG13  VAL  12          3HG1      VAL  12   0.870   1.467  -6.157
   64   HG21  VAL  12          3HG2      VAL  12   0.165   1.507  -8.635
   65   HG22  VAL  12          1HG2      VAL  12   1.734   2.227  -8.996
   66   HG23  VAL  12          2HG2      VAL  12   0.253   3.037  -9.507
   67    H    GLN  13           H        GLN  13  -3.119   3.586  -8.035
   68    HA   GLN  13           HA       GLN  13  -2.570   5.934  -9.706
   69    HB2  GLN  13           2HB      GLN  13  -3.564   3.559 -10.445
   70    HB3  GLN  13           3HB      GLN  13  -5.069   4.340 -10.000
   71    HG2  GLN  13           2HG      GLN  13  -3.130   5.587 -11.925
   72    HG3  GLN  13           3HG      GLN  13  -4.366   4.441 -12.438
   73   HE21  GLN  13          1HE2      GLN  13  -3.712   7.647 -11.334
   74   HE22  GLN  13          2HE2      GLN  13  -5.296   8.287 -11.588
   75    H    PHE  14           H        PHE  14  -4.731   4.716  -7.198
   76    HA   PHE  14           HA       PHE  14  -5.690   7.426  -6.696
   77    HB2  PHE  14           2HB      PHE  14  -8.085   6.301  -6.450
   78    HB3  PHE  14           3HB      PHE  14  -7.520   6.921  -7.997
   79    HD1  PHE  14           HD1      PHE  14  -8.139   3.879  -6.032
   80    HD2  PHE  14           HD2      PHE  14  -7.026   5.472  -9.814
   81    HE1  PHE  14           HE1      PHE  14  -8.410   1.653  -7.043
   82    HE2  PHE  14           HE2      PHE  14  -7.300   3.252 -10.835
   83    HZ   PHE  14           HZ       PHE  14  -7.981   1.342  -9.446
   84    H    TYR  15           H        TYR  15  -5.224   4.128  -5.588
   85    HA   TYR  15           HA       TYR  15  -5.873   5.036  -2.855
   86    HB2  TYR  15           2HB      TYR  15  -7.364   3.220  -4.025
   87    HB3  TYR  15           3HB      TYR  15  -6.044   2.139  -3.599
   88    HD1  TYR  15           HD1      TYR  15  -8.685   4.333  -2.259
   89    HD2  TYR  15           HD2      TYR  15  -5.696   1.453  -1.325
   90    HE1  TYR  15           HE1      TYR  15  -9.635   4.087  -0.005
   91    HE2  TYR  15           HE2      TYR  15  -6.640   1.200   0.931
   92    HH   TYR  15           HH       TYR  15  -9.679   2.417   1.802
   93    HA   PRO  16           HA       PRO  16  -1.420   3.777  -2.756
   94    HB2  PRO  16           2HB      PRO  16  -0.510   5.845  -1.252
   95    HB3  PRO  16           3HB      PRO  16  -0.750   5.980  -3.003
   96    HG2  PRO  16           2HG      PRO  16  -2.441   6.997  -0.784
   97    HG3  PRO  16           3HG      PRO  16  -2.084   7.725  -2.362
   98    HD2  PRO  16           2HD      PRO  16  -4.414   6.376  -1.745
   99    HD3  PRO  16           3HD      PRO  16  -3.796   6.633  -3.386
  100    H    CYS  17           H        CYS  17   0.081   3.589  -0.723
  101    HA   CYS  17           HA       CYS  17  -1.463   2.261   1.359
  102    HB2  CYS  17           2HB      CYS  17   0.643   1.319   0.196
  103    HB3  CYS  17           3HB      CYS  17   1.542   2.415   1.240
  104    H    CYS  18           H        CYS  18  -0.897   2.576   3.663
  105    HA   CYS  18           HA       CYS  18  -0.868   5.383   4.314
  106    HB2  CYS  18           2HB      CYS  18  -1.015   2.943   6.095
  107    HB3  CYS  18           3HB      CYS  18  -1.215   4.604   6.643
  108    HA   PRO  19           HA       PRO  19   3.619   5.182   5.049
  109    HB2  PRO  19           2HB      PRO  19   4.147   7.804   4.705
  110    HB3  PRO  19           3HB      PRO  19   3.816   6.731   3.332
  111    HG2  PRO  19           2HG      PRO  19   2.056   8.742   4.618
  112    HG3  PRO  19           3HG      PRO  19   2.191   8.282   2.911
  113    HD2  PRO  19           2HD      PRO  19   0.219   7.397   4.670
  114    HD3  PRO  19           3HD      PRO  19   0.638   6.643   3.121
  115    H    GLY  20           H        GLY  20   5.130   6.576   6.505
  116    HA2  GLY  20           2HA      GLY  20   5.404   7.913   8.466
  117    HA3  GLY  20           3HA      GLY  20   3.728   7.594   8.881
  118    H    LEU  21           H        LEU  21   3.763   4.778   8.539
  119    HA   LEU  21           HA       LEU  21   5.103   4.018  11.009
  120    HB2  LEU  21           2HB      LEU  21   3.140   2.551   9.246
  121    HB3  LEU  21           3HB      LEU  21   3.825   1.881  10.712
  122    HG   LEU  21           HG       LEU  21   2.386   4.493  10.886
  123   HD11  LEU  21          1HD1      LEU  21   1.033   1.803  10.715
  124   HD12  LEU  21          2HD1      LEU  21   0.887   3.122   9.553
  125   HD13  LEU  21          3HD1      LEU  21   0.259   3.315  11.189
  126   HD21  LEU  21          3HD2      LEU  21   2.603   2.101  12.716
  127   HD22  LEU  21          1HD2      LEU  21   1.780   3.616  13.089
  128   HD23  LEU  21          2HD2      LEU  21   3.527   3.597  12.852
  129    H    GLY  22           H        GLY  22   5.162   3.182   7.575
  130    HA2  GLY  22           2HA      GLY  22   7.450   2.654   6.724
  131    HA3  GLY  22           3HA      GLY  22   7.565   1.531   8.071
  132    H    LEU  23           H        LEU  23   5.005   2.190   5.687
  133    HA   LEU  23           HA       LEU  23   5.006  -0.677   5.007
  134    HB2  LEU  23           2HB      LEU  23   2.729   1.305   4.870
  135    HB3  LEU  23           3HB      LEU  23   2.638  -0.364   4.350
  136    HG   LEU  23           HG       LEU  23   3.336   0.319   7.195
  137   HD11  LEU  23          1HD1      LEU  23   0.972   0.133   7.763
  138   HD12  LEU  23          2HD1      LEU  23   0.563  -0.002   6.053
  139   HD13  LEU  23          3HD1      LEU  23   1.257   1.495   6.679
  140   HD21  LEU  23          3HD2      LEU  23   1.934  -2.065   5.992
  141   HD22  LEU  23          1HD2      LEU  23   2.483  -1.882   7.658
  142   HD23  LEU  23          2HD2      LEU  23   3.660  -1.999   6.350
  143    H    THR  24           H        THR  24   4.721  -1.294   2.845
  144    HA   THR  24           HA       THR  24   4.947   0.797   0.810
  145    HB   THR  24           HB       THR  24   7.259   0.153   1.265
  146    HG1  THR  24           HG1      THR  24   7.436  -1.004  -1.043
  147   HG21  THR  24          3HG2      THR  24   6.943  -2.115   2.124
  148   HG22  THR  24          1HG2      THR  24   8.095  -2.114   0.788
  149   HG23  THR  24          2HG2      THR  24   6.441  -2.665   0.527
  150    H    CYS  25           H        CYS  25   4.370   0.139  -1.326
  151    HA   CYS  25           HA       CYS  25   2.447  -2.062  -1.362
  152    HB2  CYS  25           2HB      CYS  25   2.882   0.348  -3.119
  153    HB3  CYS  25           3HB      CYS  25   1.823  -0.968  -3.599
  154    H    ILE  26           H        ILE  26   2.936  -3.940  -2.291
  155    HA   ILE  26           HA       ILE  26   4.993  -3.999  -4.396
  156    HB   ILE  26           HB       ILE  26   4.669  -6.095  -2.224
  157   HG12  ILE  26          2HG1      ILE  26   7.181  -4.520  -2.570
  158   HG13  ILE  26          3HG1      ILE  26   5.816  -3.711  -1.810
  159   HG21  ILE  26          1HG2      ILE  26   6.727  -5.898  -4.432
  160   HG22  ILE  26          2HG2      ILE  26   5.401  -7.058  -4.359
  161   HG23  ILE  26          3HG2      ILE  26   6.689  -7.116  -3.156
  162   HD11  ILE  26          3HD1      ILE  26   7.354  -4.696  -0.180
  163   HD12  ILE  26          1HD1      ILE  26   7.050  -6.291  -0.868
  164   HD13  ILE  26          2HD1      ILE  26   5.743  -5.406  -0.084
  165    HA   PRO  27           HA       PRO  27   5.502  -4.806  -6.259
  166    HB2  PRO  27           2HB      PRO  27   4.173  -4.528  -8.807
  167    HB3  PRO  27           3HB      PRO  27   5.444  -5.673  -8.353
  168    HG2  PRO  27           2HG      PRO  27   2.869  -6.376  -8.943
  169    HG3  PRO  27           3HG      PRO  27   3.976  -7.342  -7.947
  170    HD2  PRO  27           2HD      PRO  27   1.745  -5.557  -7.107
  171    HD3  PRO  27           3HD      PRO  27   2.295  -7.089  -6.400
  172    H    GLY  28           H        GLY  28   2.266  -3.547  -7.060
  173    HA2  GLY  28           2HA      GLY  28   1.492  -1.367  -6.679
  174    HA3  GLY  28           3HA      GLY  28   3.147  -0.842  -6.427
  175    H    ASN  29           H        ASN  29   2.060  -2.689  -9.236
  176    HA   ASN  29           HA       ASN  29   2.000  -0.297 -10.890
  177    HB2  ASN  29           2HB      ASN  29   3.574  -1.363 -12.577
  178    HB3  ASN  29           3HB      ASN  29   4.304  -0.730 -11.110
  179   HD21  ASN  29          1HD2      ASN  29   5.199  -2.146  -9.623
  180   HD22  ASN  29          2HD2      ASN  29   5.517  -3.803  -9.995
  181    HA   PRO  30           HA       PRO  30   0.134   0.228 -10.769
  182    HB2  PRO  30           2HB      PRO  30  -2.569   0.288 -10.918
  183    HB3  PRO  30           3HB      PRO  30  -1.529   0.681 -12.296
  184    HG2  PRO  30           2HG      PRO  30  -3.200  -1.688 -11.841
  185    HG3  PRO  30           3HG      PRO  30  -2.592  -1.005 -13.357
  186    HD2  PRO  30           2HD      PRO  30  -1.549  -3.236 -11.900
  187    HD3  PRO  30           3HD      PRO  30  -0.923  -2.524 -13.397
  188    H    ASP  31           H        ASP  31  -1.410  -2.821  -9.986
  189    HA   ASP  31           HA       ASP  31  -2.294  -1.968  -7.358
  190    HB2  ASP  31           2HB      ASP  31  -2.429  -4.615  -8.810
  191    HB3  ASP  31           3HB      ASP  31  -3.008  -4.389  -7.163
  192    H    GLY  32           H        GLY  32  -1.576  -2.819  -5.399
  193    HA2  GLY  32           2HA      GLY  32   0.807  -4.500  -5.357
  194    HA3  GLY  32           3HA      GLY  32   0.985  -2.878  -4.709
  195    H    THR  33           H        THR  33   1.590  -4.587  -2.924
  196    HA   THR  33           HA       THR  33  -0.791  -4.887  -1.205
  197    HB   THR  33           HB       THR  33   1.570  -6.685  -0.809
  198    HG1  THR  33           HG1      THR  33  -0.476  -7.106  -2.752
  199   HG21  THR  33          3HG2      THR  33  -0.160  -8.244  -0.030
  200   HG22  THR  33          1HG2      THR  33  -1.409  -7.078  -0.467
  201   HG23  THR  33          2HG2      THR  33  -0.263  -6.703   0.820
  202    H    CYS  34           H        CYS  34  -0.583  -4.242   0.919
  203    HA   CYS  34           HA       CYS  34   1.688  -2.520   1.484
  204    HB2  CYS  34           2HB      CYS  34  -0.972  -2.948   2.816
  205    HB3  CYS  34           3HB      CYS  34   0.304  -2.023   3.600
  206    H    TYR  35           H        TYR  35   3.437  -3.321   2.324
  207    HA   TYR  35           HA       TYR  35   3.249  -5.289   4.508
  208    HB2  TYR  35           2HB      TYR  35   5.071  -5.252   2.121
  209    HB3  TYR  35           3HB      TYR  35   5.605  -6.001   3.619
  210    HD1  TYR  35           HD2      TYR  35   4.076  -7.846   4.609
  211    HD2  TYR  35           HD1      TYR  35   3.803  -6.478   0.585
  212    HE1  TYR  35           HE2      TYR  35   2.925  -9.926   3.985
  213    HE2  TYR  35           HE1      TYR  35   2.654  -8.558  -0.045
  214    HH   TYR  35           HH       TYR  35   1.405 -10.736   2.234
  215    H    TYR  36           H        TYR  36   5.075  -5.240   6.021
  216    HA   TYR  36           HA       TYR  36   5.947  -2.495   6.510
  217    HB2  TYR  36           2HB      TYR  36   4.851  -4.092   8.250
  218    HB3  TYR  36           3HB      TYR  36   6.453  -4.809   8.361
  219    HD1  TYR  36           HD2      TYR  36   4.441  -1.817   9.048
  220    HD2  TYR  36           HD1      TYR  36   8.281  -3.613   9.404
  221    HE1  TYR  36           HE2      TYR  36   5.100  -0.078  10.656
  222    HE2  TYR  36           HE1      TYR  36   8.950  -1.879  11.014
  223    HH   TYR  36           HH       TYR  36   8.315   0.419  11.615
  224    H    LEU  37           H        LEU  37   8.006  -1.812   6.424
  225    HA   LEU  37           HA       LEU  37  10.028  -3.695   5.449
  226    HB2  LEU  37           2HB      LEU  37   9.836  -0.689   5.381
  227    HB3  LEU  37           3HB      LEU  37  11.313  -1.538   4.974
  228    HG   LEU  37           HG       LEU  37   8.782  -2.233   3.536
  229   HD11  LEU  37          1HD1      LEU  37   9.416  -0.510   1.835
  230   HD12  LEU  37          2HD1      LEU  37  10.523   0.170   3.028
  231   HD13  LEU  37          3HD1      LEU  37   8.789   0.142   3.349
  232   HD21  LEU  37          3HD2      LEU  37  10.348  -2.712   1.715
  233   HD22  LEU  37          1HD2      LEU  37  10.769  -3.609   3.175
  234   HD23  LEU  37          2HD2      LEU  37  11.690  -2.174   2.725
  Start of MODEL   12
    1    H1   PCA   1           H        PCA   1  -8.554  11.605   3.976
    2    HA   PCA   1           HA       PCA   1  -6.576  10.685   3.022
    3    HB2  PCA   1           3HB      PCA   1  -5.256  10.589   5.025
    4    HB3  PCA   1           2HB      PCA   1  -5.651   8.827   4.978
    5    HG2  PCA   1           3HG      PCA   1  -6.583   9.924   6.996
    6    HG3  PCA   1           2HG      PCA   1  -5.705  11.392   6.493
    7    H    GLY   2           H        GLY   2  -6.476   8.872   1.730
    8    HA2  GLY   2           2HA      GLY   2  -8.285   6.624   2.378
    9    HA3  GLY   2           3HA      GLY   2  -8.162   7.291   0.757
   10    H    CYS   3           H        CYS   3  -5.873   6.202   3.264
   11    HA   CYS   3           HA       CYS   3  -4.311   4.840   1.190
   12    HB2  CYS   3           2HB      CYS   3  -2.508   4.769   2.849
   13    HB3  CYS   3           3HB      CYS   3  -3.093   6.413   2.623
   14    H    ALA   4           H        ALA   4  -3.477   2.684   1.588
   15    HA   ALA   4           HA       ALA   4  -5.467   1.000   2.897
   16    HB1  ALA   4           3HB      ALA   4  -3.152  -0.167   1.455
   17    HB2  ALA   4           1HB      ALA   4  -4.367   0.699   0.512
   18    HB3  ALA   4           2HB      ALA   4  -4.836  -0.686   1.499
   19    H    PHE   5           H        PHE   5  -5.037  -0.538   4.423
   20    HA   PHE   5           HA       PHE   5  -2.778  -0.034   6.170
   21    HB2  PHE   5           2HB      PHE   5  -4.815  -2.206   6.621
   22    HB3  PHE   5           3HB      PHE   5  -3.946  -1.244   7.810
   23    HD1  PHE   5           HD2      PHE   5  -4.689   1.021   8.358
   24    HD2  PHE   5           HD1      PHE   5  -6.814  -1.410   5.587
   25    HE1  PHE   5           HE2      PHE   5  -6.619   2.541   8.506
   26    HE2  PHE   5           HE1      PHE   5  -8.743   0.106   5.727
   27    HZ   PHE   5           HZ       PHE   5  -8.641   2.081   7.182
   28    H    GLU   6           H        GLU   6  -1.880  -2.204   7.231
   29    HA   GLU   6           HA       GLU   6  -0.392  -3.548   5.190
   30    HB2  GLU   6           2HB      GLU   6   0.381  -2.901   7.552
   31    HB3  GLU   6           3HB      GLU   6  -0.486  -4.324   8.102
   32    HG2  GLU   6           2HG      GLU   6   0.925  -5.717   6.633
   33    HG3  GLU   6           3HG      GLU   6   1.828  -4.276   6.172
   34    H    GLY   7           H        GLY   7  -0.607  -5.547   4.358
   35    HA2  GLY   7           2HA      GLY   7  -1.277  -7.814   4.333
   36    HA3  GLY   7           3HA      GLY   7  -2.456  -7.461   5.580
   37    H    GLU   8           H        GLU   8  -2.605  -5.159   3.090
   38    HA   GLU   8           HA       GLU   8  -4.612  -6.708   1.614
   39    HB2  GLU   8           2HB      GLU   8  -6.147  -4.771   1.575
   40    HB3  GLU   8           3HB      GLU   8  -5.881  -5.383   3.197
   41    HG2  GLU   8           2HG      GLU   8  -4.356  -3.534   3.655
   42    HG3  GLU   8           3HG      GLU   8  -4.591  -2.932   2.014
   43    H    SER   9           H        SER   9  -5.405  -5.233  -0.354
   44    HA   SER   9           HA       SER   9  -3.005  -4.724  -1.910
   45    HB2  SER   9           2HB      SER   9  -4.621  -4.572  -3.826
   46    HB3  SER   9           3HB      SER   9  -4.665  -6.109  -2.964
   47    HG   SER   9           HG       SER   9  -6.764  -5.308  -3.352
   48    H    CYS  10           H        CYS  10  -2.551  -2.844  -3.021
   49    HA   CYS  10           HA       CYS  10  -4.124  -0.442  -2.423
   50    HB2  CYS  10           2HB      CYS  10  -1.905   0.768  -2.026
   51    HB3  CYS  10           3HB      CYS  10  -2.449  -0.311  -0.747
   52    H    ASN  11           H        ASN  11  -4.444   0.768  -4.179
   53    HA   ASN  11           HA       ASN  11  -2.883   0.194  -6.594
   54    HB2  ASN  11           2HB      ASN  11  -5.664   1.068  -6.081
   55    HB3  ASN  11           3HB      ASN  11  -4.885   1.769  -7.496
   56   HD21  ASN  11          1HD2      ASN  11  -4.185   0.403  -9.161
   57   HD22  ASN  11          2HD2      ASN  11  -4.844  -1.182  -9.360
   58    H    VAL  12           H        VAL  12  -1.336   1.524  -7.178
   59    HA   VAL  12           HA       VAL  12  -0.885   4.025  -5.867
   60    HB   VAL  12           HB       VAL  12   1.080   4.261  -7.362
   61   HG11  VAL  12          1HG1      VAL  12   0.833   1.530  -6.111
   62   HG12  VAL  12          2HG1      VAL  12   1.245   3.020  -5.261
   63   HG13  VAL  12          3HG1      VAL  12   2.335   2.374  -6.487
   64   HG21  VAL  12          3HG2      VAL  12   1.713   2.428  -8.872
   65   HG22  VAL  12          1HG2      VAL  12   0.221   3.212  -9.392
   66   HG23  VAL  12          2HG2      VAL  12   0.159   1.650  -8.576
   67    H    GLN  13           H        GLN  13  -3.214   3.532  -7.967
   68    HA   GLN  13           HA       GLN  13  -2.733   5.904  -9.630
   69    HB2  GLN  13           2HB      GLN  13  -3.485   3.546 -10.509
   70    HB3  GLN  13           3HB      GLN  13  -5.075   4.067  -9.981
   71    HG2  GLN  13           2HG      GLN  13  -5.038   4.640 -12.226
   72    HG3  GLN  13           3HG      GLN  13  -4.649   6.156 -11.417
   73   HE21  GLN  13          1HE2      GLN  13  -3.440   3.551 -13.373
   74   HE22  GLN  13          2HE2      GLN  13  -1.967   4.318 -13.849
   75    H    PHE  14           H        PHE  14  -4.816   4.645  -7.098
   76    HA   PHE  14           HA       PHE  14  -5.978   7.290  -6.724
   77    HB2  PHE  14           2HB      PHE  14  -8.302   6.063  -6.454
   78    HB3  PHE  14           3HB      PHE  14  -7.752   6.602  -8.036
   79    HD1  PHE  14           HD1      PHE  14  -8.308   3.692  -5.877
   80    HD2  PHE  14           HD2      PHE  14  -7.119   5.036  -9.731
   81    HE1  PHE  14           HE1      PHE  14  -8.482   1.390  -6.727
   82    HE2  PHE  14           HE2      PHE  14  -7.294   2.739 -10.592
   83    HZ   PHE  14           HZ       PHE  14  -7.968   0.915  -9.086
   84    H    TYR  15           H        TYR  15  -5.299   4.082  -5.490
   85    HA   TYR  15           HA       TYR  15  -5.958   5.059  -2.787
   86    HB2  TYR  15           2HB      TYR  15  -7.505   3.253  -3.820
   87    HB3  TYR  15           3HB      TYR  15  -6.170   2.150  -3.521
   88    HD1  TYR  15           HD1      TYR  15  -8.503   4.513  -1.841
   89    HD2  TYR  15           HD2      TYR  15  -5.858   1.209  -1.388
   90    HE1  TYR  15           HE1      TYR  15  -9.297   4.200   0.465
   91    HE2  TYR  15           HE2      TYR  15  -6.648   0.889   0.918
   92    HH   TYR  15           HH       TYR  15  -7.710   2.205   2.702
   93    HA   PRO  16           HA       PRO  16  -1.496   3.843  -2.703
   94    HB2  PRO  16           2HB      PRO  16  -0.622   5.889  -1.146
   95    HB3  PRO  16           3HB      PRO  16  -0.863   6.061  -2.894
   96    HG2  PRO  16           2HG      PRO  16  -2.581   6.987  -0.655
   97    HG3  PRO  16           3HG      PRO  16  -2.226   7.767  -2.208
   98    HD2  PRO  16           2HD      PRO  16  -4.539   6.375  -1.658
   99    HD3  PRO  16           3HD      PRO  16  -3.899   6.663  -3.285
  100    H    CYS  17           H        CYS  17   0.014   3.631  -0.679
  101    HA   CYS  17           HA       CYS  17  -1.503   2.232   1.379
  102    HB2  CYS  17           2HB      CYS  17   0.583   1.313   0.187
  103    HB3  CYS  17           3HB      CYS  17   1.500   2.414   1.208
  104    H    CYS  18           H        CYS  18  -0.947   2.503   3.684
  105    HA   CYS  18           HA       CYS  18  -0.897   5.296   4.399
  106    HB2  CYS  18           2HB      CYS  18  -1.050   2.817   6.124
  107    HB3  CYS  18           3HB      CYS  18  -1.236   4.464   6.712
  108    HA   PRO  19           HA       PRO  19   3.590   5.058   5.122
  109    HB2  PRO  19           2HB      PRO  19   4.137   7.675   4.780
  110    HB3  PRO  19           3HB      PRO  19   3.794   6.608   3.406
  111    HG2  PRO  19           2HG      PRO  19   2.058   8.639   4.693
  112    HG3  PRO  19           3HG      PRO  19   2.176   8.165   2.988
  113    HD2  PRO  19           2HD      PRO  19   0.215   7.307   4.783
  114    HD3  PRO  19           3HD      PRO  19   0.595   6.559   3.221
  115    H    GLY  20           H        GLY  20   5.113   6.451   6.575
  116    HA2  GLY  20           2HA      GLY  20   5.388   7.793   8.535
  117    HA3  GLY  20           3HA      GLY  20   3.717   7.459   8.960
  118    H    LEU  21           H        LEU  21   3.775   4.645   8.606
  119    HA   LEU  21           HA       LEU  21   5.143   3.888  11.062
  120    HB2  LEU  21           2HB      LEU  21   3.161   2.418   9.323
  121    HB3  LEU  21           3HB      LEU  21   3.869   1.747  10.777
  122    HG   LEU  21           HG       LEU  21   2.865   3.957  11.860
  123   HD11  LEU  21          1HD1      LEU  21   1.046   3.441   9.509
  124   HD12  LEU  21          2HD1      LEU  21   2.029   4.883   9.768
  125   HD13  LEU  21          3HD1      LEU  21   0.700   4.513  10.866
  126   HD21  LEU  21          3HD2      LEU  21   0.874   2.653  12.455
  127   HD22  LEU  21          1HD2      LEU  21   2.349   1.691  12.559
  128   HD23  LEU  21          2HD2      LEU  21   1.263   1.494  11.183
  129    H    GLY  22           H        GLY  22   5.191   3.106   7.623
  130    HA2  GLY  22           2HA      GLY  22   7.466   2.573   6.753
  131    HA3  GLY  22           3HA      GLY  22   7.584   1.430   8.082
  132    H    LEU  23           H        LEU  23   5.061   2.154   5.676
  133    HA   LEU  23           HA       LEU  23   4.993  -0.713   4.996
  134    HB2  LEU  23           2HB      LEU  23   2.774   1.329   4.804
  135    HB3  LEU  23           3HB      LEU  23   2.646  -0.348   4.319
  136    HG   LEU  23           HG       LEU  23   3.321   0.380   7.158
  137   HD11  LEU  23          1HD1      LEU  23   0.945   0.270   7.695
  138   HD12  LEU  23          2HD1      LEU  23   0.558   0.112   5.982
  139   HD13  LEU  23          3HD1      LEU  23   1.284   1.600   6.588
  140   HD21  LEU  23          3HD2      LEU  23   1.872  -1.991   5.987
  141   HD22  LEU  23          1HD2      LEU  23   2.403  -1.786   7.656
  142   HD23  LEU  23          2HD2      LEU  23   3.593  -1.963   6.367
  143    H    THR  24           H        THR  24   4.742  -1.324   2.832
  144    HA   THR  24           HA       THR  24   5.030   0.760   0.797
  145    HB   THR  24           HB       THR  24   7.324   0.089   1.266
  146    HG1  THR  24           HG1      THR  24   6.826  -1.236  -1.154
  147   HG21  THR  24          3HG2      THR  24   8.132  -2.199   0.831
  148   HG22  THR  24          1HG2      THR  24   6.469  -2.732   0.584
  149   HG23  THR  24          2HG2      THR  24   6.983  -2.154   2.168
  150    H    CYS  25           H        CYS  25   4.416   0.148  -1.321
  151    HA   CYS  25           HA       CYS  25   2.493  -2.052  -1.392
  152    HB2  CYS  25           2HB      CYS  25   2.919   0.400  -3.091
  153    HB3  CYS  25           3HB      CYS  25   1.879  -0.913  -3.620
  154    H    ILE  26           H        ILE  26   2.984  -3.913  -2.348
  155    HA   ILE  26           HA       ILE  26   5.031  -3.936  -4.462
  156    HB   ILE  26           HB       ILE  26   4.716  -6.056  -2.313
  157   HG12  ILE  26          2HG1      ILE  26   7.233  -4.495  -2.666
  158   HG13  ILE  26          3HG1      ILE  26   5.877  -3.674  -1.904
  159   HG21  ILE  26          1HG2      ILE  26   5.426  -7.006  -4.460
  160   HG22  ILE  26          2HG2      ILE  26   6.723  -7.078  -3.268
  161   HG23  ILE  26          3HG2      ILE  26   6.758  -5.851  -4.534
  162   HD11  ILE  26          3HD1      ILE  26   5.800  -5.338  -0.163
  163   HD12  ILE  26          1HD1      ILE  26   7.431  -4.684  -0.289
  164   HD13  ILE  26          2HD1      ILE  26   7.065  -6.274  -0.959
  165    HA   PRO  27           HA       PRO  27   5.530  -4.695  -6.340
  166    HB2  PRO  27           2HB      PRO  27   4.182  -4.376  -8.877
  167    HB3  PRO  27           3HB      PRO  27   5.470  -5.514  -8.453
  168    HG2  PRO  27           2HG      PRO  27   2.909  -6.246  -9.043
  169    HG3  PRO  27           3HG      PRO  27   4.026  -7.207  -8.053
  170    HD2  PRO  27           2HD      PRO  27   1.780  -5.445  -7.201
  171    HD3  PRO  27           3HD      PRO  27   2.328  -6.988  -6.515
  172    H    GLY  28           H        GLY  28   2.284  -3.431  -7.119
  173    HA2  GLY  28           2HA      GLY  28   1.508  -1.259  -6.683
  174    HA3  GLY  28           3HA      GLY  28   3.166  -0.736  -6.433
  175    H    ASN  29           H        ASN  29   2.122  -2.554  -9.261
  176    HA   ASN  29           HA       ASN  29   2.022  -0.144 -10.890
  177    HB2  ASN  29           2HB      ASN  29   3.606  -1.182 -12.587
  178    HB3  ASN  29           3HB      ASN  29   4.332  -0.552 -11.117
  179   HD21  ASN  29          1HD2      ASN  29   5.251  -1.966  -9.648
  180   HD22  ASN  29          2HD2      ASN  29   5.583  -3.618 -10.029
  181    HA   PRO  30           HA       PRO  30   0.160   0.372 -10.780
  182    HB2  PRO  30           2HB      PRO  30  -2.540   0.420 -10.929
  183    HB3  PRO  30           3HB      PRO  30  -1.503   0.811 -12.311
  184    HG2  PRO  30           2HG      PRO  30  -3.161  -1.567 -11.839
  185    HG3  PRO  30           3HG      PRO  30  -2.567  -0.884 -13.361
  186    HD2  PRO  30           2HD      PRO  30  -1.500  -3.105 -11.908
  187    HD3  PRO  30           3HD      PRO  30  -0.883  -2.386 -13.406
  188    H    ASP  31           H        ASP  31  -1.358  -2.688  -9.983
  189    HA   ASP  31           HA       ASP  31  -2.152  -1.776  -7.335
  190    HB2  ASP  31           2HB      ASP  31  -3.132  -4.088  -7.122
  191    HB3  ASP  31           3HB      ASP  31  -3.812  -3.107  -8.413
  192    H    GLY  32           H        GLY  32  -1.546  -2.840  -5.402
  193    HA2  GLY  32           2HA      GLY  32   0.708  -4.668  -5.429
  194    HA3  GLY  32           3HA      GLY  32   1.052  -3.072  -4.782
  195    H    THR  33           H        THR  33   1.585  -4.637  -2.954
  196    HA   THR  33           HA       THR  33  -0.784  -4.880  -1.213
  197    HB   THR  33           HB       THR  33   1.535  -6.719  -0.787
  198    HG1  THR  33           HG1      THR  33   0.156  -6.665  -3.087
  199   HG21  THR  33          3HG2      THR  33  -0.312  -6.679   0.821
  200   HG22  THR  33          1HG2      THR  33  -0.235  -8.234  -0.009
  201   HG23  THR  33          2HG2      THR  33  -1.454  -7.046  -0.472
  202    H    CYS  34           H        CYS  34  -0.504  -4.300   0.942
  203    HA   CYS  34           HA       CYS  34   1.785  -2.572   1.442
  204    HB2  CYS  34           2HB      CYS  34  -0.839  -2.981   2.856
  205    HB3  CYS  34           3HB      CYS  34   0.459  -2.030   3.568
  206    H    TYR  35           H        TYR  35   3.538  -3.352   2.293
  207    HA   TYR  35           HA       TYR  35   3.359  -5.347   4.455
  208    HB2  TYR  35           2HB      TYR  35   5.192  -5.259   2.076
  209    HB3  TYR  35           3HB      TYR  35   5.726  -6.023   3.566
  210    HD1  TYR  35           HD1      TYR  35   4.246  -7.912   4.516
  211    HD2  TYR  35           HD2      TYR  35   3.909  -6.459   0.526
  212    HE1  TYR  35           HE1      TYR  35   3.121  -9.995   3.857
  213    HE2  TYR  35           HE2      TYR  35   2.781  -8.540  -0.137
  214    HH   TYR  35           HH       TYR  35   1.589 -10.786   2.105
  215    H    TYR  36           H        TYR  36   5.129  -5.282   6.002
  216    HA   TYR  36           HA       TYR  36   5.993  -2.541   6.514
  217    HB2  TYR  36           2HB      TYR  36   4.863  -4.106   8.237
  218    HB3  TYR  36           3HB      TYR  36   6.434  -4.888   8.351
  219    HD1  TYR  36           HD1      TYR  36   4.589  -1.751   8.968
  220    HD2  TYR  36           HD2      TYR  36   8.246  -3.855   9.525
  221    HE1  TYR  36           HE1      TYR  36   5.303  -0.067  10.612
  222    HE2  TYR  36           HE2      TYR  36   8.969  -2.176  11.169
  223    HH   TYR  36           HH       TYR  36   8.493   0.168  11.739
  224    H    LEU  37           H        LEU  37   8.039  -1.846   6.422
  225    HA   LEU  37           HA       LEU  37  10.091  -3.724   5.503
  226    HB2  LEU  37           2HB      LEU  37   9.873  -0.720   5.393
  227    HB3  LEU  37           3HB      LEU  37  11.361  -1.563   5.012
  228    HG   LEU  37           HG       LEU  37   8.850  -2.294   3.556
  229   HD11  LEU  37          1HD1      LEU  37  10.590   0.105   3.019
  230   HD12  LEU  37          2HD1      LEU  37   8.857   0.086   3.348
  231   HD13  LEU  37          3HD1      LEU  37   9.477  -0.590   1.842
  232   HD21  LEU  37          3HD2      LEU  37  10.437  -2.790   1.759
  233   HD22  LEU  37          1HD2      LEU  37  10.851  -3.662   3.236
  234   HD23  LEU  37          2HD2      LEU  37  11.766  -2.227   2.773
  Start of MODEL   13
    1    H1   PCA   1           H        PCA   1  -9.051  11.369   3.391
    2    HA   PCA   1           HA       PCA   1  -6.518  10.731   2.858
    3    HB2  PCA   1           3HB      PCA   1  -5.722  10.793   5.122
    4    HB3  PCA   1           2HB      PCA   1  -6.303   9.083   5.174
    5    HG2  PCA   1           3HG      PCA   1  -7.541  10.523   6.767
    6    HG3  PCA   1           2HG      PCA   1  -6.400  11.824   6.337
    7    H    GLY   2           H        GLY   2  -6.298   8.721   1.894
    8    HA2  GLY   2           2HA      GLY   2  -8.253   6.616   2.474
    9    HA3  GLY   2           3HA      GLY   2  -8.184   7.239   0.833
   10    H    CYS   3           H        CYS   3  -5.860   6.178   3.320
   11    HA   CYS   3           HA       CYS   3  -4.302   4.827   1.236
   12    HB2  CYS   3           2HB      CYS   3  -2.495   4.749   2.890
   13    HB3  CYS   3           3HB      CYS   3  -3.081   6.394   2.672
   14    H    ALA   4           H        ALA   4  -3.461   2.670   1.626
   15    HA   ALA   4           HA       ALA   4  -5.447   0.977   2.929
   16    HB1  ALA   4           3HB      ALA   4  -3.131  -0.183   1.484
   17    HB2  ALA   4           1HB      ALA   4  -4.343   0.689   0.543
   18    HB3  ALA   4           2HB      ALA   4  -4.816  -0.700   1.522
   19    H    PHE   5           H        PHE   5  -5.015  -0.564   4.450
   20    HA   PHE   5           HA       PHE   5  -2.754  -0.064   6.197
   21    HB2  PHE   5           2HB      PHE   5  -4.788  -2.240   6.641
   22    HB3  PHE   5           3HB      PHE   5  -3.920  -1.282   7.834
   23    HD1  PHE   5           HD2      PHE   5  -4.664   0.980   8.392
   24    HD2  PHE   5           HD1      PHE   5  -6.789  -1.442   5.613
   25    HE1  PHE   5           HE2      PHE   5  -6.594   2.498   8.547
   26    HE2  PHE   5           HE1      PHE   5  -8.719   0.071   5.761
   27    HZ   PHE   5           HZ       PHE   5  -8.618   2.041   7.223
   28    H    GLU   6           H        GLU   6  -1.858  -2.241   7.251
   29    HA   GLU   6           HA       GLU   6  -0.367  -3.573   5.203
   30    HB2  GLU   6           2HB      GLU   6   0.401  -2.934   7.572
   31    HB3  GLU   6           3HB      GLU   6  -0.457  -4.368   8.109
   32    HG2  GLU   6           2HG      GLU   6   0.963  -5.742   6.635
   33    HG3  GLU   6           3HG      GLU   6   1.853  -4.292   6.175
   34    H    GLY   7           H        GLY   7  -0.583  -5.565   4.357
   35    HA2  GLY   7           2HA      GLY   7  -1.248  -7.833   4.318
   36    HA3  GLY   7           3HA      GLY   7  -2.421  -7.493   5.574
   37    H    GLU   8           H        GLU   8  -2.575  -5.182   3.085
   38    HA   GLU   8           HA       GLU   8  -4.598  -6.723   1.621
   39    HB2  GLU   8           2HB      GLU   8  -6.128  -4.783   1.594
   40    HB3  GLU   8           3HB      GLU   8  -5.853  -5.396   3.214
   41    HG2  GLU   8           2HG      GLU   8  -4.322  -3.549   3.662
   42    HG3  GLU   8           3HG      GLU   8  -4.564  -2.948   2.022
   43    H    SER   9           H        SER   9  -5.397  -5.247  -0.342
   44    HA   SER   9           HA       SER   9  -3.004  -4.738  -1.911
   45    HB2  SER   9           2HB      SER   9  -5.919  -4.822  -2.720
   46    HB3  SER   9           3HB      SER   9  -4.559  -4.660  -3.830
   47    HG   SER   9           HG       SER   9  -5.599  -6.876  -3.088
   48    H    CYS  10           H        CYS  10  -2.541  -2.853  -2.997
   49    HA   CYS  10           HA       CYS  10  -4.128  -0.458  -2.406
   50    HB2  CYS  10           2HB      CYS  10  -1.915   0.759  -2.000
   51    HB3  CYS  10           3HB      CYS  10  -2.456  -0.326  -0.725
   52    H    ASN  11           H        ASN  11  -4.435   0.769  -4.154
   53    HA   ASN  11           HA       ASN  11  -2.871   0.197  -6.568
   54    HB2  ASN  11           2HB      ASN  11  -5.654   1.069  -6.061
   55    HB3  ASN  11           3HB      ASN  11  -4.871   1.773  -7.472
   56   HD21  ASN  11          1HD2      ASN  11  -4.167   0.410  -9.139
   57   HD22  ASN  11          2HD2      ASN  11  -4.825  -1.174  -9.343
   58    H    VAL  12           H        VAL  12  -1.327   1.528  -7.152
   59    HA   VAL  12           HA       VAL  12  -0.874   4.025  -5.833
   60    HB   VAL  12           HB       VAL  12   1.088   4.268  -7.333
   61   HG11  VAL  12          1HG1      VAL  12   0.849   1.535  -6.083
   62   HG12  VAL  12          2HG1      VAL  12   1.257   3.025  -5.232
   63   HG13  VAL  12          3HG1      VAL  12   2.348   2.384  -6.461
   64   HG21  VAL  12          3HG2      VAL  12   0.225   3.219  -9.361
   65   HG22  VAL  12          1HG2      VAL  12   0.167   1.656  -8.545
   66   HG23  VAL  12          2HG2      VAL  12   1.720   2.437  -8.845
   67    H    GLN  13           H        GLN  13  -3.204   3.538  -7.933
   68    HA   GLN  13           HA       GLN  13  -2.726   5.915  -9.589
   69    HB2  GLN  13           2HB      GLN  13  -3.476   3.561 -10.476
   70    HB3  GLN  13           3HB      GLN  13  -5.066   4.077  -9.944
   71    HG2  GLN  13           2HG      GLN  13  -5.032   4.657 -12.187
   72    HG3  GLN  13           3HG      GLN  13  -4.646   6.172 -11.373
   73   HE21  GLN  13          1HE2      GLN  13  -3.433   3.577 -13.340
   74   HE22  GLN  13          2HE2      GLN  13  -1.962   4.349 -13.814
   75    H    PHE  14           H        PHE  14  -4.812   4.644  -7.064
   76    HA   PHE  14           HA       PHE  14  -5.976   7.287  -6.681
   77    HB2  PHE  14           2HB      PHE  14  -8.298   6.056  -6.414
   78    HB3  PHE  14           3HB      PHE  14  -7.749   6.600  -7.994
   79    HD1  PHE  14           HD2      PHE  14  -8.297   3.683  -5.843
   80    HD2  PHE  14           HD1      PHE  14  -7.113   5.040  -9.695
   81    HE1  PHE  14           HE2      PHE  14  -8.472   1.384  -6.700
   82    HE2  PHE  14           HE1      PHE  14  -7.281   2.744 -10.561
   83    HZ   PHE  14           HZ       PHE  14  -7.953   0.915  -9.059
   84    H    TYR  15           H        TYR  15  -5.291   4.078  -5.454
   85    HA   TYR  15           HA       TYR  15  -5.952   5.049  -2.750
   86    HB2  TYR  15           2HB      TYR  15  -7.497   3.243  -3.784
   87    HB3  TYR  15           3HB      TYR  15  -6.160   2.140  -3.491
   88    HD1  TYR  15           HD1      TYR  15  -8.494   4.495  -1.800
   89    HD2  TYR  15           HD2      TYR  15  -5.841   1.195  -1.360
   90    HE1  TYR  15           HE1      TYR  15  -9.283   4.175   0.506
   91    HE2  TYR  15           HE2      TYR  15  -6.626   0.868   0.946
   92    HH   TYR  15           HH       TYR  15  -7.687   2.177   2.735
   93    HA   PRO  16           HA       PRO  16  -1.487   3.839  -2.669
   94    HB2  PRO  16           2HB      PRO  16  -0.617   5.884  -1.109
   95    HB3  PRO  16           3HB      PRO  16  -0.858   6.058  -2.857
   96    HG2  PRO  16           2HG      PRO  16  -2.576   6.978  -0.616
   97    HG3  PRO  16           3HG      PRO  16  -2.223   7.761  -2.168
   98    HD2  PRO  16           2HD      PRO  16  -4.534   6.365  -1.619
   99    HD3  PRO  16           3HD      PRO  16  -3.895   6.656  -3.246
  100    H    CYS  17           H        CYS  17   0.023   3.620  -0.650
  101    HA   CYS  17           HA       CYS  17  -1.491   2.218   1.408
  102    HB2  CYS  17           2HB      CYS  17   0.597   1.307   0.209
  103    HB3  CYS  17           3HB      CYS  17   1.512   2.403   1.239
  104    H    CYS  18           H        CYS  18  -0.926   2.483   3.714
  105    HA   CYS  18           HA       CYS  18  -0.881   5.275   4.435
  106    HB2  CYS  18           2HB      CYS  18  -1.022   2.791   6.153
  107    HB3  CYS  18           3HB      CYS  18  -1.209   4.437   6.747
  108    HA   PRO  19           HA       PRO  19   3.610   5.048   5.138
  109    HB2  PRO  19           2HB      PRO  19   4.147   7.668   4.802
  110    HB3  PRO  19           3HB      PRO  19   3.803   6.604   3.426
  111    HG2  PRO  19           2HG      PRO  19   2.065   8.625   4.725
  112    HG3  PRO  19           3HG      PRO  19   2.178   8.156   3.019
  113    HD2  PRO  19           2HD      PRO  19   0.226   7.288   4.819
  114    HD3  PRO  19           3HD      PRO  19   0.602   6.545   3.254
  115    H    GLY  20           H        GLY  20   5.135   6.443   6.586
  116    HA2  GLY  20           2HA      GLY  20   5.429   7.765   8.552
  117    HA3  GLY  20           3HA      GLY  20   3.754   7.454   8.976
  118    H    LEU  21           H        LEU  21   3.787   4.635   8.607
  119    HA   LEU  21           HA       LEU  21   5.131   3.856  11.070
  120    HB2  LEU  21           2HB      LEU  21   3.158   2.398   9.310
  121    HB3  LEU  21           3HB      LEU  21   3.837   1.735  10.782
  122    HG   LEU  21           HG       LEU  21   2.411   4.353  10.942
  123   HD11  LEU  21          1HD1      LEU  21   1.040   1.673  10.764
  124   HD12  LEU  21          2HD1      LEU  21   0.910   2.993   9.600
  125   HD13  LEU  21          3HD1      LEU  21   0.273   3.191  11.233
  126   HD21  LEU  21          3HD2      LEU  21   1.787   3.481  13.142
  127   HD22  LEU  21          1HD2      LEU  21   3.535   3.449  12.914
  128   HD23  LEU  21          2HD2      LEU  21   2.600   1.960  12.774
  129    H    GLY  22           H        GLY  22   5.197   3.091   7.628
  130    HA2  GLY  22           2HA      GLY  22   7.468   2.540   6.766
  131    HA3  GLY  22           3HA      GLY  22   7.574   1.395   8.096
  132    H    LEU  23           H        LEU  23   5.066   2.136   5.680
  133    HA   LEU  23           HA       LEU  23   4.988  -0.729   4.992
  134    HB2  LEU  23           2HB      LEU  23   2.769   1.315   4.807
  135    HB3  LEU  23           3HB      LEU  23   2.641  -0.364   4.326
  136    HG   LEU  23           HG       LEU  23   3.319   0.373   7.162
  137   HD11  LEU  23          1HD1      LEU  23   1.279   1.587   6.592
  138   HD12  LEU  23          2HD1      LEU  23   0.944   0.258   7.702
  139   HD13  LEU  23          3HD1      LEU  23   0.555   0.096   5.989
  140   HD21  LEU  23          3HD2      LEU  23   1.873  -2.005   6.002
  141   HD22  LEU  23          1HD2      LEU  23   2.409  -1.794   7.668
  142   HD23  LEU  23          2HD2      LEU  23   3.595  -1.972   6.376
  143    H    THR  24           H        THR  24   4.743  -1.332   2.828
  144    HA   THR  24           HA       THR  24   5.024   0.761   0.801
  145    HB   THR  24           HB       THR  24   7.320   0.096   1.266
  146    HG1  THR  24           HG1      THR  24   6.462   0.383  -0.992
  147   HG21  THR  24          3HG2      THR  24   6.468  -2.725   0.577
  148   HG22  THR  24          1HG2      THR  24   6.992  -2.151   2.160
  149   HG23  THR  24          2HG2      THR  24   8.132  -2.191   0.815
  150    H    CYS  25           H        CYS  25   4.404   0.161  -1.316
  151    HA   CYS  25           HA       CYS  25   2.491  -2.047  -1.396
  152    HB2  CYS  25           2HB      CYS  25   2.903   0.415  -3.084
  153    HB3  CYS  25           3HB      CYS  25   1.865  -0.899  -3.614
  154    H    ILE  26           H        ILE  26   2.994  -3.902  -2.358
  155    HA   ILE  26           HA       ILE  26   5.031  -3.903  -4.482
  156    HB   ILE  26           HB       ILE  26   4.743  -6.034  -2.340
  157   HG12  ILE  26          2HG1      ILE  26   7.246  -4.451  -2.691
  158   HG13  ILE  26          3HG1      ILE  26   5.885  -3.642  -1.925
  159   HG21  ILE  26          1HG2      ILE  26   6.759  -7.031  -3.307
  160   HG22  ILE  26          2HG2      ILE  26   6.774  -5.798  -4.568
  161   HG23  ILE  26          3HG2      ILE  26   5.456  -6.968  -4.494
  162   HD11  ILE  26          3HD1      ILE  26   7.456  -4.652  -0.320
  163   HD12  ILE  26          1HD1      ILE  26   7.083  -6.240  -0.989
  164   HD13  ILE  26          2HD1      ILE  26   5.824  -5.303  -0.186
  165    HA   PRO  27           HA       PRO  27   5.530  -4.657  -6.360
  166    HB2  PRO  27           2HB      PRO  27   4.181  -4.354  -8.896
  167    HB3  PRO  27           3HB      PRO  27   5.475  -5.485  -8.469
  168    HG2  PRO  27           2HG      PRO  27   2.916  -6.231  -9.057
  169    HG3  PRO  27           3HG      PRO  27   4.039  -7.185  -8.068
  170    HD2  PRO  27           2HD      PRO  27   1.785  -5.432  -7.214
  171    HD3  PRO  27           3HD      PRO  27   2.341  -6.972  -6.528
  172    H    GLY  28           H        GLY  28   2.271  -3.423  -7.131
  173    HA2  GLY  28           2HA      GLY  28   1.475  -1.257  -6.720
  174    HA3  GLY  28           3HA      GLY  28   3.125  -0.719  -6.455
  175    H    ASN  29           H        ASN  29   2.089  -2.548  -9.281
  176    HA   ASN  29           HA       ASN  29   2.031  -0.142 -10.921
  177    HB2  ASN  29           2HB      ASN  29   3.589  -1.260 -12.614
  178    HB3  ASN  29           3HB      ASN  29   4.322  -0.580 -11.170
  179   HD21  ASN  29          1HD2      ASN  29   3.598  -3.464 -12.935
  180   HD22  ASN  29          2HD2      ASN  29   4.553  -4.543 -11.982
  181    HA   PRO  30           HA       PRO  30   0.165   0.388 -10.760
  182    HB2  PRO  30           2HB      PRO  30  -2.537   0.472 -10.894
  183    HB3  PRO  30           3HB      PRO  30  -1.501   0.871 -12.275
  184    HG2  PRO  30           2HG      PRO  30  -3.193  -1.486 -11.835
  185    HG3  PRO  30           3HG      PRO  30  -2.582  -0.797 -13.347
  186    HD2  PRO  30           2HD      PRO  30  -1.555  -3.049 -11.907
  187    HD3  PRO  30           3HD      PRO  30  -0.934  -2.337 -13.407
  188    H    ASP  31           H        ASP  31  -1.391  -2.661  -9.993
  189    HA   ASP  31           HA       ASP  31  -2.174  -1.777  -7.335
  190    HB2  ASP  31           2HB      ASP  31  -3.144  -4.094  -7.140
  191    HB3  ASP  31           3HB      ASP  31  -3.827  -3.107  -8.423
  192    H    GLY  32           H        GLY  32  -1.562  -2.848  -5.408
  193    HA2  GLY  32           2HA      GLY  32   0.694  -4.673  -5.446
  194    HA3  GLY  32           3HA      GLY  32   1.041  -3.079  -4.798
  195    H    THR  33           H        THR  33   1.580  -4.635  -2.969
  196    HA   THR  33           HA       THR  33  -0.783  -4.885  -1.223
  197    HB   THR  33           HB       THR  33   1.539  -6.722  -0.803
  198    HG1  THR  33           HG1      THR  33   1.217  -7.283  -2.880
  199   HG21  THR  33          3HG2      THR  33  -0.229  -8.239  -0.023
  200   HG22  THR  33          1HG2      THR  33  -1.449  -7.052  -0.483
  201   HG23  THR  33          2HG2      THR  33  -0.305  -6.685   0.808
  202    H    CYS  34           H        CYS  34  -0.491  -4.323   0.939
  203    HA   CYS  34           HA       CYS  34   1.794  -2.587   1.432
  204    HB2  CYS  34           2HB      CYS  34  -0.826  -3.003   2.851
  205    HB3  CYS  34           3HB      CYS  34   0.473  -2.056   3.567
  206    H    TYR  35           H        TYR  35   3.551  -3.363   2.279
  207    HA   TYR  35           HA       TYR  35   3.383  -5.369   4.431
  208    HB2  TYR  35           2HB      TYR  35   5.218  -5.256   2.055
  209    HB3  TYR  35           3HB      TYR  35   5.751  -6.030   3.541
  210    HD1  TYR  35           HD1      TYR  35   4.275  -7.931   4.472
  211    HD2  TYR  35           HD2      TYR  35   3.943  -6.449   0.493
  212    HE1  TYR  35           HE1      TYR  35   3.159 -10.013   3.794
  213    HE2  TYR  35           HE2      TYR  35   2.824  -8.528  -0.189
  214    HH   TYR  35           HH       TYR  35   2.668 -10.866   0.549
  215    H    TYR  36           H        TYR  36   5.147  -5.301   5.982
  216    HA   TYR  36           HA       TYR  36   5.999  -2.559   6.505
  217    HB2  TYR  36           2HB      TYR  36   4.873  -4.144   8.218
  218    HB3  TYR  36           3HB      TYR  36   6.455  -4.903   8.338
  219    HD1  TYR  36           HD2      TYR  36   4.558  -1.800   8.957
  220    HD2  TYR  36           HD1      TYR  36   8.251  -3.840   9.515
  221    HE1  TYR  36           HE2      TYR  36   5.239  -0.107  10.604
  222    HE2  TYR  36           HE1      TYR  36   8.941  -2.151  11.163
  223    HH   TYR  36           HH       TYR  36   6.786   0.098  12.504
  224    H    LEU  37           H        LEU  37   8.041  -1.855   6.413
  225    HA   LEU  37           HA       LEU  37  10.104  -3.722   5.496
  226    HB2  LEU  37           2HB      LEU  37   9.873  -0.719   5.389
  227    HB3  LEU  37           3HB      LEU  37  11.365  -1.556   5.008
  228    HG   LEU  37           HG       LEU  37   8.858  -2.296   3.549
  229   HD11  LEU  37          1HD1      LEU  37  10.588   0.111   3.013
  230   HD12  LEU  37          2HD1      LEU  37   8.856   0.086   3.347
  231   HD13  LEU  37          3HD1      LEU  37   9.474  -0.587   1.839
  232   HD21  LEU  37          3HD2      LEU  37  10.449  -2.782   1.753
  233   HD22  LEU  37          1HD2      LEU  37  10.865  -3.654   3.228
  234   HD23  LEU  37          2HD2      LEU  37  11.774  -2.214   2.769
  Start of MODEL   14
    1    H1   PCA   1           H        PCA   1  -9.252  11.381   2.939
    2    HA   PCA   1           HA       PCA   1  -6.947  10.789   1.738
    3    HB2  PCA   1           3HB      PCA   1  -5.501  11.528   3.507
    4    HB3  PCA   1           2HB      PCA   1  -5.764   9.866   4.164
    5    HG2  PCA   1           3HG      PCA   1  -6.648  11.608   5.690
    6    HG3  PCA   1           2HG      PCA   1  -5.916  12.810   4.595
    7    H    GLY   2           H        GLY   2  -6.729   8.608   1.271
    8    HA2  GLY   2           2HA      GLY   2  -8.126   6.645   2.955
    9    HA3  GLY   2           3HA      GLY   2  -8.547   6.754   1.252
   10    H    CYS   3           H        CYS   3  -5.942   6.045   3.515
   11    HA   CYS   3           HA       CYS   3  -4.416   4.714   1.395
   12    HB2  CYS   3           2HB      CYS   3  -2.568   4.667   3.013
   13    HB3  CYS   3           3HB      CYS   3  -3.179   6.302   2.787
   14    H    ALA   4           H        ALA   4  -3.554   2.579   1.737
   15    HA   ALA   4           HA       ALA   4  -5.441   0.848   3.143
   16    HB1  ALA   4           3HB      ALA   4  -3.248  -0.364   1.593
   17    HB2  ALA   4           1HB      ALA   4  -4.374   0.638   0.674
   18    HB3  ALA   4           2HB      ALA   4  -4.972  -0.736   1.603
   19    H    PHE   5           H        PHE   5  -4.784  -0.833   4.539
   20    HA   PHE   5           HA       PHE   5  -2.325  -0.233   6.010
   21    HB2  PHE   5           2HB      PHE   5  -3.355  -1.741   7.788
   22    HB3  PHE   5           3HB      PHE   5  -4.169  -0.215   7.493
   23    HD1  PHE   5           HD2      PHE   5  -4.332  -3.854   6.767
   24    HD2  PHE   5           HD1      PHE   5  -6.439  -0.158   6.937
   25    HE1  PHE   5           HE2      PHE   5  -6.457  -5.055   6.460
   26    HE2  PHE   5           HE1      PHE   5  -8.567  -1.354   6.635
   27    HZ   PHE   5           HZ       PHE   5  -8.577  -3.805   6.394
   28    H    GLU   6           H        GLU   6  -1.327  -2.268   7.086
   29    HA   GLU   6           HA       GLU   6  -0.125  -3.840   5.104
   30    HB2  GLU   6           2HB      GLU   6   0.614  -3.243   7.537
   31    HB3  GLU   6           3HB      GLU   6  -0.233  -4.719   7.967
   32    HG2  GLU   6           2HG      GLU   6   1.206  -5.964   6.391
   33    HG3  GLU   6           3HG      GLU   6   2.094  -4.475   6.071
   34    H    GLY   7           H        GLY   7  -0.621  -5.693   4.143
   35    HA2  GLY   7           2HA      GLY   7  -1.387  -7.986   4.282
   36    HA3  GLY   7           3HA      GLY   7  -2.642  -7.452   5.383
   37    H    GLU   8           H        GLU   8  -3.113  -5.079   3.454
   38    HA   GLU   8           HA       GLU   8  -4.814  -6.624   1.620
   39    HB2  GLU   8           2HB      GLU   8  -6.291  -4.678   1.502
   40    HB3  GLU   8           3HB      GLU   8  -6.065  -5.198   3.162
   41    HG2  GLU   8           2HG      GLU   8  -4.746  -3.334   3.685
   42    HG3  GLU   8           3HG      GLU   8  -4.464  -2.952   1.987
   43    H    SER   9           H        SER   9  -5.450  -5.161  -0.391
   44    HA   SER   9           HA       SER   9  -2.950  -4.669  -1.809
   45    HB2  SER   9           2HB      SER   9  -4.725  -6.170  -2.765
   46    HB3  SER   9           3HB      SER   9  -5.761  -4.752  -2.926
   47    HG   SER   9           HG       SER   9  -4.247  -5.535  -4.753
   48    H    CYS  10           H        CYS  10  -2.415  -2.771  -2.795
   49    HA   CYS  10           HA       CYS  10  -4.155  -0.439  -2.371
   50    HB2  CYS  10           2HB      CYS  10  -1.963   0.847  -1.934
   51    HB3  CYS  10           3HB      CYS  10  -2.593  -0.161  -0.637
   52    H    ASN  11           H        ASN  11  -4.428   0.778  -4.127
   53    HA   ASN  11           HA       ASN  11  -2.812   0.204  -6.498
   54    HB2  ASN  11           2HB      ASN  11  -5.580   1.159  -6.038
   55    HB3  ASN  11           3HB      ASN  11  -4.753   1.814  -7.448
   56   HD21  ASN  11          1HD2      ASN  11  -4.083   0.408  -9.087
   57   HD22  ASN  11          2HD2      ASN  11  -4.783  -1.160  -9.273
   58    H    VAL  12           H        VAL  12  -1.228   1.488  -7.052
   59    HA   VAL  12           HA       VAL  12  -0.723   3.979  -5.748
   60    HB   VAL  12           HB       VAL  12   1.264   4.154  -7.221
   61   HG11  VAL  12          1HG1      VAL  12   1.350   2.885  -5.119
   62   HG12  VAL  12          2HG1      VAL  12   2.458   2.245  -6.332
   63   HG13  VAL  12          3HG1      VAL  12   0.938   1.414  -6.003
   64   HG21  VAL  12          3HG2      VAL  12   1.854   2.303  -8.730
   65   HG22  VAL  12          1HG2      VAL  12   0.396   3.142  -9.264
   66   HG23  VAL  12          2HG2      VAL  12   0.269   1.580  -8.455
   67    H    GLN  13           H        GLN  13  -3.037   3.528  -7.866
   68    HA   GLN  13           HA       GLN  13  -2.507   5.849  -9.574
   69    HB2  GLN  13           2HB      GLN  13  -3.334   3.541 -10.423
   70    HB3  GLN  13           3HB      GLN  13  -4.893   4.025  -9.774
   71    HG2  GLN  13           2HG      GLN  13  -5.058   5.844 -11.279
   72    HG3  GLN  13           3HG      GLN  13  -3.375   5.672 -11.779
   73   HE21  GLN  13          1HE2      GLN  13  -2.805   4.002 -13.175
   74   HE22  GLN  13          2HE2      GLN  13  -3.979   3.139 -14.102
   75    H    PHE  14           H        PHE  14  -4.573   4.727  -6.965
   76    HA   PHE  14           HA       PHE  14  -5.585   7.415  -6.550
   77    HB2  PHE  14           2HB      PHE  14  -7.995   6.319  -6.341
   78    HB3  PHE  14           3HB      PHE  14  -7.396   6.921  -7.882
   79    HD1  PHE  14           HD1      PHE  14  -8.153   3.918  -5.919
   80    HD2  PHE  14           HD2      PHE  14  -6.823   5.433  -9.665
   81    HE1  PHE  14           HE1      PHE  14  -8.443   1.689  -6.921
   82    HE2  PHE  14           HE2      PHE  14  -7.116   3.212 -10.674
   83    HZ   PHE  14           HZ       PHE  14  -7.915   1.340  -9.300
   84    H    TYR  15           H        TYR  15  -5.187   4.113  -5.424
   85    HA   TYR  15           HA       TYR  15  -5.874   5.033  -2.705
   86    HB2  TYR  15           2HB      TYR  15  -7.348   3.219  -3.888
   87    HB3  TYR  15           3HB      TYR  15  -6.030   2.135  -3.460
   88    HD1  TYR  15           HD1      TYR  15  -8.755   4.221  -2.168
   89    HD2  TYR  15           HD2      TYR  15  -5.618   1.536  -1.144
   90    HE1  TYR  15           HE1      TYR  15  -9.716   3.965   0.081
   91    HE2  TYR  15           HE2      TYR  15  -6.572   1.273   1.108
   92    HH   TYR  15           HH       TYR  15  -9.686   2.333   1.922
   93    HA   PRO  16           HA       PRO  16  -1.418   3.792  -2.538
   94    HB2  PRO  16           2HB      PRO  16  -0.546   5.852  -0.999
   95    HB3  PRO  16           3HB      PRO  16  -0.752   5.998  -2.754
   96    HG2  PRO  16           2HG      PRO  16  -2.492   6.991  -0.562
   97    HG3  PRO  16           3HG      PRO  16  -2.107   7.732  -2.127
   98    HD2  PRO  16           2HD      PRO  16  -4.444   6.371  -1.570
   99    HD3  PRO  16           3HD      PRO  16  -3.789   6.636  -3.196
  100    H    CYS  17           H        CYS  17   0.041   3.515  -0.529
  101    HA   CYS  17           HA       CYS  17  -1.521   2.194   1.535
  102    HB2  CYS  17           2HB      CYS  17   0.603   1.275   0.364
  103    HB3  CYS  17           3HB      CYS  17   1.484   2.331   1.463
  104    H    CYS  18           H        CYS  18  -0.909   2.459   3.854
  105    HA   CYS  18           HA       CYS  18  -0.923   5.254   4.555
  106    HB2  CYS  18           2HB      CYS  18  -1.002   2.778   6.288
  107    HB3  CYS  18           3HB      CYS  18  -1.216   4.423   6.876
  108    HA   PRO  19           HA       PRO  19   3.577   5.129   5.217
  109    HB2  PRO  19           2HB      PRO  19   4.044   7.769   4.926
  110    HB3  PRO  19           3HB      PRO  19   3.719   6.720   3.534
  111    HG2  PRO  19           2HG      PRO  19   1.933   8.665   4.886
  112    HG3  PRO  19           3HG      PRO  19   2.054   8.242   3.168
  113    HD2  PRO  19           2HD      PRO  19   0.127   7.280   4.936
  114    HD3  PRO  19           3HD      PRO  19   0.539   6.567   3.366
  115    H    GLY  20           H        GLY  20   5.081   6.527   6.680
  116    HA2  GLY  20           2HA      GLY  20   5.357   7.820   8.670
  117    HA3  GLY  20           3HA      GLY  20   3.696   7.451   9.103
  118    H    LEU  21           H        LEU  21   3.780   4.651   8.694
  119    HA   LEU  21           HA       LEU  21   5.208   3.857  11.106
  120    HB2  LEU  21           2HB      LEU  21   3.186   2.416   9.389
  121    HB3  LEU  21           3HB      LEU  21   3.942   1.708  10.801
  122    HG   LEU  21           HG       LEU  21   2.962   3.876  11.982
  123   HD11  LEU  21          1HD1      LEU  21   2.066   4.873   9.950
  124   HD12  LEU  21          2HD1      LEU  21   0.768   4.459  11.069
  125   HD13  LEU  21          3HD1      LEU  21   1.081   3.438   9.665
  126   HD21  LEU  21          3HD2      LEU  21   1.342   1.435  11.268
  127   HD22  LEU  21          1HD2      LEU  21   0.991   2.550  12.590
  128   HD23  LEU  21          2HD2      LEU  21   2.467   1.586  12.618
  129    H    GLY  22           H        GLY  22   5.130   3.073   7.656
  130    HA2  GLY  22           2HA      GLY  22   7.401   2.601   6.714
  131    HA3  GLY  22           3HA      GLY  22   7.570   1.445   8.027
  132    H    LEU  23           H        LEU  23   5.010   2.167   5.652
  133    HA   LEU  23           HA       LEU  23   4.999  -0.690   4.925
  134    HB2  LEU  23           2HB      LEU  23   2.689   1.259   4.932
  135    HB3  LEU  23           3HB      LEU  23   2.606  -0.385   4.335
  136    HG   LEU  23           HG       LEU  23   3.372   0.180   7.189
  137   HD11  LEU  23          1HD1      LEU  23   1.031  -0.081   7.812
  138   HD12  LEU  23          2HD1      LEU  23   0.577  -0.153   6.109
  139   HD13  LEU  23          3HD1      LEU  23   1.256   1.331   6.779
  140   HD21  LEU  23          3HD2      LEU  23   3.718  -2.092   6.226
  141   HD22  LEU  23          1HD2      LEU  23   1.983  -2.180   5.924
  142   HD23  LEU  23          2HD2      LEU  23   2.587  -2.057   7.577
  143    H    THR  24           H        THR  24   4.685  -1.249   2.758
  144    HA   THR  24           HA       THR  24   4.789   0.898   0.773
  145    HB   THR  24           HB       THR  24   7.136   0.327   1.160
  146    HG1  THR  24           HG1      THR  24   7.040  -0.880  -1.245
  147   HG21  THR  24          3HG2      THR  24   6.959  -1.961   1.962
  148   HG22  THR  24          1HG2      THR  24   8.025  -1.906   0.557
  149   HG23  THR  24          2HG2      THR  24   6.372  -2.497   0.389
  150    H    CYS  25           H        CYS  25   4.257   0.221  -1.400
  151    HA   CYS  25           HA       CYS  25   2.387  -2.027  -1.429
  152    HB2  CYS  25           2HB      CYS  25   2.729   0.383  -3.218
  153    HB3  CYS  25           3HB      CYS  25   1.628  -0.934  -3.585
  154    H    ILE  26           H        ILE  26   3.010  -3.888  -2.309
  155    HA   ILE  26           HA       ILE  26   4.917  -3.845  -4.552
  156    HB   ILE  26           HB       ILE  26   4.967  -5.947  -2.364
  157   HG12  ILE  26          2HG1      ILE  26   7.247  -4.062  -2.757
  158   HG13  ILE  26          3HG1      ILE  26   5.824  -3.443  -1.927
  159   HG21  ILE  26          1HG2      ILE  26   6.866  -5.429  -4.660
  160   HG22  ILE  26          2HG2      ILE  26   5.725  -6.768  -4.538
  161   HG23  ILE  26          3HG2      ILE  26   7.075  -6.655  -3.409
  162   HD11  ILE  26          3HD1      ILE  26   6.028  -5.114  -0.220
  163   HD12  ILE  26          1HD1      ILE  26   7.581  -4.302  -0.413
  164   HD13  ILE  26          2HD1      ILE  26   7.336  -5.909  -1.096
  165    HA   PRO  27           HA       PRO  27   5.441  -4.854  -6.439
  166    HB2  PRO  27           2HB      PRO  27   4.309  -4.624  -8.916
  167    HB3  PRO  27           3HB      PRO  27   4.990  -6.139  -8.295
  168    HG2  PRO  27           2HG      PRO  27   2.144  -5.267  -8.423
  169    HG3  PRO  27           3HG      PRO  27   2.856  -6.855  -8.773
  170    HD2  PRO  27           2HD      PRO  27   1.604  -6.321  -6.441
  171    HD3  PRO  27           3HD      PRO  27   2.965  -7.449  -6.557
  172    H    GLY  28           H        GLY  28   2.123  -3.612  -6.984
  173    HA2  GLY  28           2HA      GLY  28   1.323  -1.453  -6.693
  174    HA3  GLY  28           3HA      GLY  28   2.954  -0.924  -6.321
  175    H    ASN  29           H        ASN  29   1.854  -2.615  -9.241
  176    HA   ASN  29           HA       ASN  29   2.020  -0.182 -10.813
  177    HB2  ASN  29           2HB      ASN  29   3.573  -1.327 -12.491
  178    HB3  ASN  29           3HB      ASN  29   4.292  -0.729 -11.004
  179   HD21  ASN  29          1HD2      ASN  29   3.493  -3.514 -12.888
  180   HD22  ASN  29          2HD2      ASN  29   4.356  -4.670 -11.937
  181    HA   PRO  30           HA       PRO  30   0.165   0.427 -10.683
  182    HB2  PRO  30           2HB      PRO  30  -2.533   0.597 -10.804
  183    HB3  PRO  30           3HB      PRO  30  -1.490   1.008 -12.176
  184    HG2  PRO  30           2HG      PRO  30  -3.233  -1.327 -11.791
  185    HG3  PRO  30           3HG      PRO  30  -2.648  -0.584 -13.288
  186    HD2  PRO  30           2HD      PRO  30  -1.638  -2.920 -12.003
  187    HD3  PRO  30           3HD      PRO  30  -0.998  -2.116 -13.447
  188    H    ASP  31           H        ASP  31  -1.480  -2.601 -10.023
  189    HA   ASP  31           HA       ASP  31  -2.281  -1.809  -7.351
  190    HB2  ASP  31           2HB      ASP  31  -3.168  -4.166  -7.212
  191    HB3  ASP  31           3HB      ASP  31  -3.872  -3.177  -8.482
  192    H    GLY  32           H        GLY  32  -1.565  -2.710  -5.428
  193    HA2  GLY  32           2HA      GLY  32   0.748  -4.491  -5.476
  194    HA3  GLY  32           3HA      GLY  32   0.996  -2.896  -4.789
  195    H    THR  33           H        THR  33   1.595  -4.566  -3.027
  196    HA   THR  33           HA       THR  33  -0.762  -4.936  -1.292
  197    HB   THR  33           HB       THR  33   1.646  -6.681  -0.943
  198    HG1  THR  33           HG1      THR  33  -0.395  -7.061  -2.896
  199   HG21  THR  33          3HG2      THR  33  -1.318  -7.132  -0.545
  200   HG22  THR  33          1HG2      THR  33  -0.145  -6.767   0.721
  201   HG23  THR  33          2HG2      THR  33  -0.045  -8.291  -0.161
  202    H    CYS  34           H        CYS  34  -0.539  -4.356   0.856
  203    HA   CYS  34           HA       CYS  34   1.667  -2.553   1.425
  204    HB2  CYS  34           2HB      CYS  34  -0.967  -3.118   2.750
  205    HB3  CYS  34           3HB      CYS  34   0.280  -2.203   3.589
  206    H    TYR  35           H        TYR  35   3.467  -3.308   2.214
  207    HA   TYR  35           HA       TYR  35   3.394  -5.341   4.346
  208    HB2  TYR  35           2HB      TYR  35   5.207  -5.148   1.953
  209    HB3  TYR  35           3HB      TYR  35   5.746  -5.957   3.417
  210    HD1  TYR  35           HD2      TYR  35   4.154  -7.843   4.321
  211    HD2  TYR  35           HD1      TYR  35   4.084  -6.370   0.325
  212    HE1  TYR  35           HE2      TYR  35   3.064  -9.917   3.581
  213    HE2  TYR  35           HE1      TYR  35   2.997  -8.446  -0.421
  214    HH   TYR  35           HH       TYR  35   2.777 -10.779   0.315
  215    H    TYR  36           H        TYR  36   5.258  -5.270   5.818
  216    HA   TYR  36           HA       TYR  36   6.026  -2.507   6.383
  217    HB2  TYR  36           2HB      TYR  36   5.025  -4.195   8.092
  218    HB3  TYR  36           3HB      TYR  36   6.653  -4.861   8.147
  219    HD1  TYR  36           HD2      TYR  36   4.561  -1.957   8.967
  220    HD2  TYR  36           HD1      TYR  36   8.459  -3.645   9.201
  221    HE1  TYR  36           HE2      TYR  36   5.194  -0.252  10.621
  222    HE2  TYR  36           HE1      TYR  36   9.103  -1.944  10.856
  223    HH   TYR  36           HH       TYR  36   6.845   0.051  12.415
  224    H    LEU  37           H        LEU  37   8.057  -1.742   6.286
  225    HA   LEU  37           HA       LEU  37  10.134  -3.519   5.227
  226    HB2  LEU  37           2HB      LEU  37   9.805  -0.524   5.211
  227    HB3  LEU  37           3HB      LEU  37  11.318  -1.295   4.776
  228    HG   LEU  37           HG       LEU  37   8.809  -2.092   3.353
  229   HD11  LEU  37          1HD1      LEU  37   9.313  -0.316   1.678
  230   HD12  LEU  37          2HD1      LEU  37  10.431   0.394   2.842
  231   HD13  LEU  37          3HD1      LEU  37   8.711   0.293   3.220
  232   HD21  LEU  37          3HD2      LEU  37  11.699  -1.870   2.506
  233   HD22  LEU  37          1HD2      LEU  37  10.373  -2.472   1.511
  234   HD23  LEU  37          2HD2      LEU  37  10.865  -3.357   2.955
  Start of MODEL   15
    1    H1   PCA   1           H        PCA   1 -11.262   8.292   4.803
    2    HA   PCA   1           HA       PCA   1  -9.236   7.074   5.085
    3    HB2  PCA   1           3HB      PCA   1 -10.189   4.877   5.253
    4    HB3  PCA   1           2HB      PCA   1  -9.623   4.703   3.547
    5    HG2  PCA   1           3HG      PCA   1 -12.091   4.555   3.716
    6    HG3  PCA   1           2HG      PCA   1 -11.883   4.597   5.486
    7    H    GLY   2           H        GLY   2  -7.433   7.224   3.785
    8    HA2  GLY   2           2HA      GLY   2  -7.876   7.683   0.897
    9    HA3  GLY   2           3HA      GLY   2  -6.707   8.588   1.845
   10    H    CYS   3           H        CYS   3  -5.398   6.701   3.259
   11    HA   CYS   3           HA       CYS   3  -3.989   5.219   1.163
   12    HB2  CYS   3           2HB      CYS   3  -2.159   5.047   2.794
   13    HB3  CYS   3           3HB      CYS   3  -2.641   6.720   2.543
   14    H    ALA   4           H        ALA   4  -3.252   3.022   1.567
   15    HA   ALA   4           HA       ALA   4  -5.310   1.447   2.901
   16    HB1  ALA   4           3HB      ALA   4  -3.037   0.175   1.474
   17    HB2  ALA   4           1HB      ALA   4  -4.232   1.064   0.526
   18    HB3  ALA   4           2HB      ALA   4  -4.735  -0.292   1.537
   19    H    PHE   5           H        PHE   5  -4.960  -0.084   4.451
   20    HA   PHE   5           HA       PHE   5  -2.685   0.332   6.200
   21    HB2  PHE   5           2HB      PHE   5  -4.825  -1.735   6.667
   22    HB3  PHE   5           3HB      PHE   5  -3.915  -0.803   7.850
   23    HD1  PHE   5           HD1      PHE   5  -4.550   1.500   8.371
   24    HD2  PHE   5           HD2      PHE   5  -6.779  -0.855   5.616
   25    HE1  PHE   5           HE1      PHE   5  -6.404   3.114   8.493
   26    HE2  PHE   5           HE2      PHE   5  -8.635   0.751   5.735
   27    HZ   PHE   5           HZ       PHE   5  -8.443   2.736   7.167
   28    H    GLU   6           H        GLU   6  -1.897  -1.866   7.292
   29    HA   GLU   6           HA       GLU   6  -0.467  -3.303   5.271
   30    HB2  GLU   6           2HB      GLU   6   0.330  -2.657   7.626
   31    HB3  GLU   6           3HB      GLU   6  -0.597  -4.035   8.192
   32    HG2  GLU   6           2HG      GLU   6   0.755  -5.507   6.750
   33    HG3  GLU   6           3HG      GLU   6   1.715  -4.112   6.260
   34    H    GLY   7           H        GLY   7  -0.777  -5.297   4.462
   35    HA2  GLY   7           2HA      GLY   7  -1.545  -7.531   4.459
   36    HA3  GLY   7           3HA      GLY   7  -2.696  -7.118   5.714
   37    H    GLU   8           H        GLU   8  -2.744  -4.855   3.170
   38    HA   GLU   8           HA       GLU   8  -4.850  -6.324   1.752
   39    HB2  GLU   8           2HB      GLU   8  -6.283  -4.312   1.687
   40    HB3  GLU   8           3HB      GLU   8  -6.029  -4.900   3.320
   41    HG2  GLU   8           2HG      GLU   8  -4.403  -3.121   3.715
   42    HG3  GLU   8           3HG      GLU   8  -4.632  -2.546   2.064
   43    H    SER   9           H        SER   9  -5.584  -4.856  -0.242
   44    HA   SER   9           HA       SER   9  -3.177  -4.502  -1.830
   45    HB2  SER   9           2HB      SER   9  -4.804  -4.306  -3.734
   46    HB3  SER   9           3HB      SER   9  -4.917  -5.821  -2.839
   47    HG   SER   9           HG       SER   9  -6.897  -5.335  -2.371
   48    H    CYS  10           H        CYS  10  -2.607  -2.666  -2.940
   49    HA   CYS  10           HA       CYS  10  -4.063  -0.178  -2.397
   50    HB2  CYS  10           2HB      CYS  10  -1.799   0.929  -2.004
   51    HB3  CYS  10           3HB      CYS  10  -2.376  -0.125  -0.719
   52    H    ASN  11           H        ASN  11  -4.321   1.015  -4.174
   53    HA   ASN  11           HA       ASN  11  -2.788   0.323  -6.575
   54    HB2  ASN  11           2HB      ASN  11  -5.526   1.334  -6.084
   55    HB3  ASN  11           3HB      ASN  11  -4.713   1.976  -7.508
   56   HD21  ASN  11          1HD2      ASN  11  -4.084   0.555  -9.154
   57   HD22  ASN  11          2HD2      ASN  11  -4.813  -1.001  -9.327
   58    H    VAL  12           H        VAL  12  -1.188   1.568  -7.195
   59    HA   VAL  12           HA       VAL  12  -0.607   4.063  -5.924
   60    HB   VAL  12           HB       VAL  12   1.353   4.185  -7.442
   61   HG11  VAL  12          1HG1      VAL  12   2.530   2.265  -6.538
   62   HG12  VAL  12          2HG1      VAL  12   0.997   1.489  -6.141
   63   HG13  VAL  12          3HG1      VAL  12   1.473   2.974  -5.316
   64   HG21  VAL  12          3HG2      VAL  12   1.886   2.297  -8.922
   65   HG22  VAL  12          1HG2      VAL  12   0.426   3.138  -9.443
   66   HG23  VAL  12          2HG2      VAL  12   0.301   1.597  -8.596
   67    H    GLN  13           H        GLN  13  -2.966   3.644  -8.017
   68    HA   GLN  13           HA       GLN  13  -2.384   5.973  -9.707
   69    HB2  GLN  13           2HB      GLN  13  -3.241   3.640 -10.555
   70    HB3  GLN  13           3HB      GLN  13  -4.806   4.239 -10.035
   71    HG2  GLN  13           2HG      GLN  13  -4.740   4.779 -12.289
   72    HG3  GLN  13           3HG      GLN  13  -4.287   6.287 -11.499
   73   HE21  GLN  13          1HE2      GLN  13  -3.188   3.607 -13.418
   74   HE22  GLN  13          2HE2      GLN  13  -1.683   4.304 -13.901
   75    H    PHE  14           H        PHE  14  -4.518   4.840  -7.158
   76    HA   PHE  14           HA       PHE  14  -5.559   7.539  -6.816
   77    HB2  PHE  14           2HB      PHE  14  -7.937   6.424  -6.534
   78    HB3  PHE  14           3HB      PHE  14  -7.362   6.918  -8.122
   79    HD1  PHE  14           HD2      PHE  14  -8.052   4.064  -5.928
   80    HD2  PHE  14           HD1      PHE  14  -6.799   5.304  -9.798
   81    HE1  PHE  14           HE2      PHE  14  -8.336   1.763  -6.751
   82    HE2  PHE  14           HE1      PHE  14  -7.076   3.005 -10.629
   83    HZ   PHE  14           HZ       PHE  14  -7.837   1.234  -9.102
   84    H    TYR  15           H        TYR  15  -5.027   4.318  -5.544
   85    HA   TYR  15           HA       TYR  15  -5.654   5.353  -2.854
   86    HB2  TYR  15           2HB      TYR  15  -7.252   3.581  -3.882
   87    HB3  TYR  15           3HB      TYR  15  -5.957   2.442  -3.542
   88    HD1  TYR  15           HD2      TYR  15  -8.259   4.890  -1.955
   89    HD2  TYR  15           HD1      TYR  15  -5.677   1.558  -1.374
   90    HE1  TYR  15           HE2      TYR  15  -9.091   4.654   0.347
   91    HE2  TYR  15           HE1      TYR  15  -6.507   1.311   0.927
   92    HH   TYR  15           HH       TYR  15  -7.573   2.689   2.658
   93    HA   PRO  16           HA       PRO  16  -1.237   3.973  -2.746
   94    HB2  PRO  16           2HB      PRO  16  -0.283   6.020  -1.236
   95    HB3  PRO  16           3HB      PRO  16  -0.516   6.159  -2.988
   96    HG2  PRO  16           2HG      PRO  16  -2.193   7.210  -0.774
   97    HG3  PRO  16           3HG      PRO  16  -1.811   7.933  -2.348
   98    HD2  PRO  16           2HD      PRO  16  -4.176   6.646  -1.755
   99    HD3  PRO  16           3HD      PRO  16  -3.533   6.873  -3.390
  100    H    CYS  17           H        CYS  17   0.255   3.688  -0.748
  101    HA   CYS  17           HA       CYS  17  -1.319   2.439   1.361
  102    HB2  CYS  17           2HB      CYS  17   0.698   1.373   0.168
  103    HB3  CYS  17           3HB      CYS  17   1.688   2.437   1.161
  104    H    CYS  18           H        CYS  18  -0.707   2.722   3.655
  105    HA   CYS  18           HA       CYS  18  -0.493   5.522   4.310
  106    HB2  CYS  18           2HB      CYS  18  -0.753   3.088   6.085
  107    HB3  CYS  18           3HB      CYS  18  -0.835   4.754   6.646
  108    HA   PRO  19           HA       PRO  19   3.986   5.048   4.971
  109    HB2  PRO  19           2HB      PRO  19   4.677   7.616   4.531
  110    HB3  PRO  19           3HB      PRO  19   4.251   6.525   3.200
  111    HG2  PRO  19           2HG      PRO  19   2.659   8.699   4.436
  112    HG3  PRO  19           3HG      PRO  19   2.716   8.155   2.750
  113    HD2  PRO  19           2HD      PRO  19   0.745   7.481   4.617
  114    HD3  PRO  19           3HD      PRO  19   1.041   6.665   3.072
  115    H    GLY  20           H        GLY  20   5.609   6.402   6.353
  116    HA2  GLY  20           2HA      GLY  20   6.001   7.781   8.261
  117    HA3  GLY  20           3HA      GLY  20   4.316   7.585   8.713
  118    H    LEU  21           H        LEU  21   4.173   4.759   8.466
  119    HA   LEU  21           HA       LEU  21   5.506   4.005  10.943
  120    HB2  LEU  21           2HB      LEU  21   3.413   2.609   9.275
  121    HB3  LEU  21           3HB      LEU  21   4.085   1.948  10.751
  122    HG   LEU  21           HG       LEU  21   3.246   4.263  11.752
  123   HD11  LEU  21          1HD1      LEU  21   1.377   3.786   9.432
  124   HD12  LEU  21          2HD1      LEU  21   2.460   5.164   9.631
  125   HD13  LEU  21          3HD1      LEU  21   1.117   4.930  10.750
  126   HD21  LEU  21          3HD2      LEU  21   1.174   3.125  12.408
  127   HD22  LEU  21          1HD2      LEU  21   2.579   2.066  12.541
  128   HD23  LEU  21          2HD2      LEU  21   1.470   1.894  11.180
  129    H    GLY  22           H        GLY  22   5.454   3.060   7.540
  130    HA2  GLY  22           2HA      GLY  22   7.705   2.349   6.699
  131    HA3  GLY  22           3HA      GLY  22   7.723   1.236   8.058
  132    H    LEU  23           H        LEU  23   5.292   2.094   5.602
  133    HA   LEU  23           HA       LEU  23   5.016  -0.776   4.984
  134    HB2  LEU  23           2HB      LEU  23   2.932   1.401   4.757
  135    HB3  LEU  23           3HB      LEU  23   2.696  -0.277   4.315
  136    HG   LEU  23           HG       LEU  23   3.423   0.487   7.133
  137   HD11  LEU  23          1HD1      LEU  23   1.454   1.800   6.526
  138   HD12  LEU  23          2HD1      LEU  23   1.048   0.526   7.677
  139   HD13  LEU  23          3HD1      LEU  23   0.646   0.334   5.970
  140   HD21  LEU  23          3HD2      LEU  23   2.388  -1.609   7.694
  141   HD22  LEU  23          1HD2      LEU  23   3.565  -1.889   6.411
  142   HD23  LEU  23          2HD2      LEU  23   1.843  -1.833   6.032
  143    H    THR  24           H        THR  24   4.751  -1.409   2.834
  144    HA   THR  24           HA       THR  24   5.154   0.625   0.767
  145    HB   THR  24           HB       THR  24   7.405  -0.164   1.250
  146    HG1  THR  24           HG1      THR  24   6.172  -0.615  -1.172
  147   HG21  THR  24          3HG2      THR  24   6.380  -2.944   0.634
  148   HG22  THR  24          1HG2      THR  24   6.962  -2.363   2.194
  149   HG23  THR  24          2HG2      THR  24   8.077  -2.510   0.835
  150    H    CYS  25           H        CYS  25   4.500   0.027  -1.339
  151    HA   CYS  25           HA       CYS  25   2.466  -2.072  -1.387
  152    HB2  CYS  25           2HB      CYS  25   3.009   0.345  -3.102
  153    HB3  CYS  25           3HB      CYS  25   1.908  -0.921  -3.625
  154    H    ILE  26           H        ILE  26   2.876  -3.967  -2.311
  155    HA   ILE  26           HA       ILE  26   4.894  -4.107  -4.449
  156    HB   ILE  26           HB       ILE  26   4.525  -6.184  -2.265
  157   HG12  ILE  26          2HG1      ILE  26   7.095  -4.724  -2.660
  158   HG13  ILE  26          3HG1      ILE  26   5.779  -3.841  -1.898
  159   HG21  ILE  26          1HG2      ILE  26   6.487  -7.288  -3.227
  160   HG22  ILE  26          2HG2      ILE  26   6.547  -6.080  -4.511
  161   HG23  ILE  26          3HG2      ILE  26   5.178  -7.187  -4.405
  162   HD11  ILE  26          3HD1      ILE  26   6.872  -6.472  -0.927
  163   HD12  ILE  26          1HD1      ILE  26   5.653  -5.477  -0.134
  164   HD13  ILE  26          2HD1      ILE  26   7.308  -4.889  -0.283
  165    HA   PRO  27           HA       PRO  27   5.345  -4.932  -6.312
  166    HB2  PRO  27           2HB      PRO  27   3.994  -4.618  -8.846
  167    HB3  PRO  27           3HB      PRO  27   5.233  -5.803  -8.402
  168    HG2  PRO  27           2HG      PRO  27   2.636  -6.433  -8.957
  169    HG3  PRO  27           3HG      PRO  27   3.717  -7.419  -7.952
  170    HD2  PRO  27           2HD      PRO  27   1.560  -5.537  -7.126
  171    HD3  PRO  27           3HD      PRO  27   2.043  -7.087  -6.408
  172    H    GLY  28           H        GLY  28   2.147  -3.553  -7.092
  173    HA2  GLY  28           2HA      GLY  28   1.461  -1.342  -6.727
  174    HA3  GLY  28           3HA      GLY  28   3.138  -0.881  -6.477
  175    H    ASN  29           H        ASN  29   2.004  -2.716  -9.263
  176    HA   ASN  29           HA       ASN  29   2.063  -0.343 -10.951
  177    HB2  ASN  29           2HB      ASN  29   3.553  -1.574 -12.626
  178    HB3  ASN  29           3HB      ASN  29   4.326  -0.906 -11.198
  179   HD21  ASN  29          1HD2      ASN  29   3.444  -3.781 -12.905
  180   HD22  ASN  29          2HD2      ASN  29   4.345  -4.890 -11.934
  181    HA   PRO  30           HA       PRO  30   0.228   0.285 -10.787
  182    HB2  PRO  30           2HB      PRO  30  -2.465   0.511 -10.916
  183    HB3  PRO  30           3HB      PRO  30  -1.415   0.825 -12.308
  184    HG2  PRO  30           2HG      PRO  30  -3.228  -1.429 -11.814
  185    HG3  PRO  30           3HG      PRO  30  -2.590  -0.802 -13.342
  186    HD2  PRO  30           2HD      PRO  30  -1.676  -3.077 -11.863
  187    HD3  PRO  30           3HD      PRO  30  -1.026  -2.428 -13.379
  188    H    ASP  31           H        ASP  31  -1.480  -2.665  -9.959
  189    HA   ASP  31           HA       ASP  31  -2.210  -1.691  -7.317
  190    HB2  ASP  31           2HB      ASP  31  -3.295  -3.953  -7.076
  191    HB3  ASP  31           3HB      ASP  31  -3.931  -2.957  -8.376
  192    H    GLY  32           H        GLY  32  -1.646  -2.751  -5.370
  193    HA2  GLY  32           2HA      GLY  32   0.513  -4.690  -5.376
  194    HA3  GLY  32           3HA      GLY  32   0.942  -3.104  -4.758
  195    H    THR  33           H        THR  33   1.406  -4.645  -2.899
  196    HA   THR  33           HA       THR  33  -0.963  -4.742  -1.145
  197    HB   THR  33           HB       THR  33   1.264  -6.692  -0.705
  198    HG1  THR  33           HG1      THR  33  -0.246  -6.622  -2.962
  199   HG21  THR  33          3HG2      THR  33  -0.576  -8.096   0.123
  200   HG22  THR  33          1HG2      THR  33  -1.734  -6.849  -0.340
  201   HG23  THR  33          2HG2      THR  33  -0.551  -6.528   0.928
  202    H    CYS  34           H        CYS  34  -0.633  -4.165   1.009
  203    HA   CYS  34           HA       CYS  34   1.735  -2.535   1.466
  204    HB2  CYS  34           2HB      CYS  34  -0.891  -2.805   2.909
  205    HB3  CYS  34           3HB      CYS  34   0.455  -1.902   3.594
  206    H    TYR  35           H        TYR  35   3.458  -3.396   2.301
  207    HA   TYR  35           HA       TYR  35   3.205  -5.369   4.477
  208    HB2  TYR  35           2HB      TYR  35   5.045  -5.337   2.103
  209    HB3  TYR  35           3HB      TYR  35   5.555  -6.116   3.594
  210    HD1  TYR  35           HD2      TYR  35   4.044  -7.971   4.536
  211    HD2  TYR  35           HD1      TYR  35   3.700  -6.484   0.560
  212    HE1  TYR  35           HE2      TYR  35   2.854 -10.019   3.878
  213    HE2  TYR  35           HE1      TYR  35   2.511  -8.531  -0.104
  214    HH   TYR  35           HH       TYR  35   1.284 -10.759   2.138
  215    H    TYR  36           H        TYR  36   4.963  -5.361   6.034
  216    HA   TYR  36           HA       TYR  36   5.927  -2.651   6.541
  217    HB2  TYR  36           2HB      TYR  36   4.708  -4.187   8.250
  218    HB3  TYR  36           3HB      TYR  36   6.271  -4.978   8.414
  219    HD1  TYR  36           HD2      TYR  36   4.431  -1.824   8.941
  220    HD2  TYR  36           HD1      TYR  36   8.066  -3.933   9.607
  221    HE1  TYR  36           HE2      TYR  36   5.117  -0.118  10.572
  222    HE2  TYR  36           HE1      TYR  36   8.761  -2.231  11.240
  223    HH   TYR  36           HH       TYR  36   8.283   0.124  11.762
  224    H    LEU  37           H        LEU  37   7.996  -2.044   6.443
  225    HA   LEU  37           HA       LEU  37   9.983  -4.028   5.602
  226    HB2  LEU  37           2HB      LEU  37   9.895  -1.021   5.402
  227    HB3  LEU  37           3HB      LEU  37  11.344  -1.942   5.054
  228    HG   LEU  37           HG       LEU  37   8.807  -2.596   3.604
  229   HD11  LEU  37          1HD1      LEU  37   9.508  -0.974   1.848
  230   HD12  LEU  37          2HD1      LEU  37  10.666  -0.305   2.997
  231   HD13  LEU  37          3HD1      LEU  37   8.938  -0.221   3.338
  232   HD21  LEU  37          3HD2      LEU  37  11.727  -2.689   2.836
  233   HD22  LEU  37          1HD2      LEU  37  10.377  -3.220   1.832
  234   HD23  LEU  37          2HD2      LEU  37  10.744  -4.066   3.336
  Start of MODEL   16
    1    H1   PCA   1           H        PCA   1 -11.427   8.156   3.859
    2    HA   PCA   1           HA       PCA   1  -9.317   6.960   4.964
    3    HB2  PCA   1           3HB      PCA   1 -10.250   4.750   5.054
    4    HB3  PCA   1           2HB      PCA   1  -9.634   4.623   3.361
    5    HG2  PCA   1           3HG      PCA   1 -12.104   4.444   3.456
    6    HG3  PCA   1           2HG      PCA   1 -11.946   4.447   5.232
    7    H    GLY   2           H        GLY   2  -7.469   7.085   3.704
    8    HA2  GLY   2           2HA      GLY   2  -7.838   7.631   0.821
    9    HA3  GLY   2           3HA      GLY   2  -6.703   8.524   1.821
   10    H    CYS   3           H        CYS   3  -5.413   6.628   3.228
   11    HA   CYS   3           HA       CYS   3  -3.957   5.175   1.141
   12    HB2  CYS   3           2HB      CYS   3  -2.140   5.020   2.785
   13    HB3  CYS   3           3HB      CYS   3  -2.641   6.689   2.542
   14    H    ALA   4           H        ALA   4  -3.199   2.986   1.555
   15    HA   ALA   4           HA       ALA   4  -5.254   1.390   2.868
   16    HB1  ALA   4           3HB      ALA   4  -2.976   0.105   1.477
   17    HB2  ALA   4           1HB      ALA   4  -4.115   1.033   0.498
   18    HB3  ALA   4           2HB      ALA   4  -4.688  -0.318   1.477
   19    H    PHE   5           H        PHE   5  -4.906  -0.126   4.428
   20    HA   PHE   5           HA       PHE   5  -2.628   0.295   6.175
   21    HB2  PHE   5           2HB      PHE   5  -4.778  -1.757   6.660
   22    HB3  PHE   5           3HB      PHE   5  -3.863  -0.819   7.834
   23    HD1  PHE   5           HD2      PHE   5  -4.487   1.493   8.334
   24    HD2  PHE   5           HD1      PHE   5  -6.729  -0.878   5.604
   25    HE1  PHE   5           HE2      PHE   5  -6.334   3.115   8.444
   26    HE2  PHE   5           HE1      PHE   5  -8.576   0.740   5.706
   27    HZ   PHE   5           HZ       PHE   5  -8.374   2.735   7.121
   28    H    GLU   6           H        GLU   6  -1.841  -1.895   7.277
   29    HA   GLU   6           HA       GLU   6  -0.422  -3.351   5.266
   30    HB2  GLU   6           2HB      GLU   6   0.362  -2.706   7.632
   31    HB3  GLU   6           3HB      GLU   6  -0.565  -4.092   8.183
   32    HG2  GLU   6           2HG      GLU   6   0.797  -5.552   6.747
   33    HG3  GLU   6           3HG      GLU   6   1.750  -4.154   6.253
   34    H    GLY   7           H        GLY   7  -0.767  -5.324   4.432
   35    HA2  GLY   7           2HA      GLY   7  -1.545  -7.558   4.433
   36    HA3  GLY   7           3HA      GLY   7  -2.695  -7.138   5.687
   37    H    GLU   8           H        GLU   8  -2.743  -4.853   3.174
   38    HA   GLU   8           HA       GLU   8  -4.843  -6.310   1.733
   39    HB2  GLU   8           2HB      GLU   8  -6.272  -4.293   1.681
   40    HB3  GLU   8           3HB      GLU   8  -6.028  -4.903   3.307
   41    HG2  GLU   8           2HG      GLU   8  -4.413  -3.133   3.745
   42    HG3  GLU   8           3HG      GLU   8  -4.606  -2.541   2.096
   43    H    SER   9           H        SER   9  -5.576  -4.811  -0.244
   44    HA   SER   9           HA       SER   9  -3.165  -4.453  -1.829
   45    HB2  SER   9           2HB      SER   9  -6.085  -4.395  -2.627
   46    HB3  SER   9           3HB      SER   9  -4.723  -4.320  -3.744
   47    HG   SER   9           HG       SER   9  -5.883  -6.472  -2.730
   48    H    CYS  10           H        CYS  10  -2.666  -2.618  -3.019
   49    HA   CYS  10           HA       CYS  10  -4.101  -0.130  -2.449
   50    HB2  CYS  10           2HB      CYS  10  -1.810   0.972  -2.078
   51    HB3  CYS  10           3HB      CYS  10  -2.438  -0.019  -0.768
   52    H    ASN  11           H        ASN  11  -4.327   1.088  -4.228
   53    HA   ASN  11           HA       ASN  11  -2.771   0.375  -6.608
   54    HB2  ASN  11           2HB      ASN  11  -5.349   0.356  -6.586
   55    HB3  ASN  11           3HB      ASN  11  -5.232   2.111  -6.608
   56   HD21  ASN  11          1HD2      ASN  11  -4.137  -0.779  -8.338
   57   HD22  ASN  11          2HD2      ASN  11  -4.141  -0.054  -9.906
   58    H    VAL  12           H        VAL  12  -1.200   1.615  -7.257
   59    HA   VAL  12           HA       VAL  12  -0.535   4.059  -5.950
   60    HB   VAL  12           HB       VAL  12   1.389   4.165  -7.513
   61   HG11  VAL  12          1HG1      VAL  12   0.954   1.457  -6.257
   62   HG12  VAL  12          2HG1      VAL  12   1.544   2.902  -5.432
   63   HG13  VAL  12          3HG1      VAL  12   2.512   2.156  -6.705
   64   HG21  VAL  12          3HG2      VAL  12   0.225   1.644  -8.710
   65   HG22  VAL  12          1HG2      VAL  12   1.824   2.303  -9.057
   66   HG23  VAL  12          2HG2      VAL  12   0.379   3.203  -9.519
   67    H    GLN  13           H        GLN  13  -2.937   3.753  -8.072
   68    HA   GLN  13           HA       GLN  13  -2.298   6.148  -9.644
   69    HB2  GLN  13           2HB      GLN  13  -3.213   3.899 -10.617
   70    HB3  GLN  13           3HB      GLN  13  -4.764   4.488 -10.044
   71    HG2  GLN  13           2HG      GLN  13  -4.715   5.158 -12.263
   72    HG3  GLN  13           3HG      GLN  13  -4.227   6.611 -11.393
   73   HE21  GLN  13          1HE2      GLN  13  -2.089   7.306 -11.518
   74   HE22  GLN  13          2HE2      GLN  13  -1.007   6.735 -12.738
   75    H    PHE  14           H        PHE  14  -4.474   4.961  -7.154
   76    HA   PHE  14           HA       PHE  14  -5.430   7.677  -6.697
   77    HB2  PHE  14           2HB      PHE  14  -7.834   6.610  -6.436
   78    HB3  PHE  14           3HB      PHE  14  -7.259   7.158  -8.005
   79    HD1  PHE  14           HD2      PHE  14  -7.995   4.226  -5.931
   80    HD2  PHE  14           HD1      PHE  14  -6.757   5.609  -9.757
   81    HE1  PHE  14           HE2      PHE  14  -8.346   1.972  -6.853
   82    HE2  PHE  14           HE1      PHE  14  -7.102   3.359 -10.688
   83    HZ   PHE  14           HZ       PHE  14  -7.888   1.540  -9.232
   84    H    TYR  15           H        TYR  15  -4.998   4.390  -5.545
   85    HA   TYR  15           HA       TYR  15  -5.605   5.349  -2.821
   86    HB2  TYR  15           2HB      TYR  15  -7.184   3.594  -3.913
   87    HB3  TYR  15           3HB      TYR  15  -5.883   2.457  -3.593
   88    HD1  TYR  15           HD2      TYR  15  -8.248   4.816  -1.977
   89    HD2  TYR  15           HD1      TYR  15  -5.571   1.554  -1.429
   90    HE1  TYR  15           HE2      TYR  15  -9.088   4.520   0.314
   91    HE2  TYR  15           HE1      TYR  15  -6.409   1.248   0.862
   92    HH   TYR  15           HH       TYR  15  -7.527   2.570   2.607
   93    HA   PRO  16           HA       PRO  16  -1.180   3.987  -2.753
   94    HB2  PRO  16           2HB      PRO  16  -0.222   6.022  -1.230
   95    HB3  PRO  16           3HB      PRO  16  -0.462   6.176  -2.980
   96    HG2  PRO  16           2HG      PRO  16  -2.130   7.208  -0.750
   97    HG3  PRO  16           3HG      PRO  16  -1.757   7.943  -2.321
   98    HD2  PRO  16           2HD      PRO  16  -4.117   6.645  -1.721
   99    HD3  PRO  16           3HD      PRO  16  -3.487   6.892  -3.359
  100    H    CYS  17           H        CYS  17   0.322   3.715  -0.745
  101    HA   CYS  17           HA       CYS  17  -1.245   2.422   1.343
  102    HB2  CYS  17           2HB      CYS  17   0.803   1.406   0.154
  103    HB3  CYS  17           3HB      CYS  17   1.763   2.474   1.171
  104    H    CYS  18           H        CYS  18  -0.664   2.699   3.644
  105    HA   CYS  18           HA       CYS  18  -0.499   5.497   4.319
  106    HB2  CYS  18           2HB      CYS  18  -0.747   3.046   6.071
  107    HB3  CYS  18           3HB      CYS  18  -0.848   4.705   6.649
  108    HA   PRO  19           HA       PRO  19   3.982   5.096   5.011
  109    HB2  PRO  19           2HB      PRO  19   4.622   7.689   4.642
  110    HB3  PRO  19           3HB      PRO  19   4.233   6.622   3.281
  111    HG2  PRO  19           2HG      PRO  19   2.580   8.727   4.558
  112    HG3  PRO  19           3HG      PRO  19   2.671   8.233   2.857
  113    HD2  PRO  19           2HD      PRO  19   0.689   7.466   4.668
  114    HD3  PRO  19           3HD      PRO  19   1.035   6.687   3.113
  115    H    GLY  20           H        GLY  20   5.567   6.447   6.437
  116    HA2  GLY  20           2HA      GLY  20   5.932   7.768   8.387
  117    HA3  GLY  20           3HA      GLY  20   4.242   7.554   8.814
  118    H    LEU  21           H        LEU  21   4.114   4.736   8.494
  119    HA   LEU  21           HA       LEU  21   5.422   3.921  10.964
  120    HB2  LEU  21           2HB      LEU  21   3.358   2.555   9.235
  121    HB3  LEU  21           3HB      LEU  21   4.006   1.872  10.712
  122    HG   LEU  21           HG       LEU  21   2.733   4.570  10.840
  123   HD11  LEU  21          1HD1      LEU  21   0.537   3.535  11.167
  124   HD12  LEU  21          2HD1      LEU  21   1.213   1.969  10.722
  125   HD13  LEU  21          3HD1      LEU  21   1.148   3.271   9.534
  126   HD21  LEU  21          3HD2      LEU  21   2.807   2.203  12.713
  127   HD22  LEU  21          1HD2      LEU  21   2.080   3.772  13.060
  128   HD23  LEU  21          2HD2      LEU  21   3.822   3.642  12.819
  129    H    GLY  22           H        GLY  22   5.432   3.104   7.534
  130    HA2  GLY  22           2HA      GLY  22   7.657   2.407   6.668
  131    HA3  GLY  22           3HA      GLY  22   7.715   1.287   8.021
  132    H    LEU  23           H        LEU  23   5.249   2.111   5.586
  133    HA   LEU  23           HA       LEU  23   5.013  -0.761   4.965
  134    HB2  LEU  23           2HB      LEU  23   2.893   1.383   4.763
  135    HB3  LEU  23           3HB      LEU  23   2.679  -0.296   4.316
  136    HG   LEU  23           HG       LEU  23   3.423   0.462   7.130
  137   HD11  LEU  23          1HD1      LEU  23   1.436   1.759   6.556
  138   HD12  LEU  23          2HD1      LEU  23   1.051   0.470   7.696
  139   HD13  LEU  23          3HD1      LEU  23   0.636   0.292   5.991
  140   HD21  LEU  23          3HD2      LEU  23   1.854  -1.868   6.031
  141   HD22  LEU  23          1HD2      LEU  23   2.417  -1.649   7.688
  142   HD23  LEU  23          2HD2      LEU  23   3.581  -1.909   6.389
  143    H    THR  24           H        THR  24   4.741  -1.394   2.818
  144    HA   THR  24           HA       THR  24   5.083   0.647   0.747
  145    HB   THR  24           HB       THR  24   7.356  -0.099   1.213
  146    HG1  THR  24           HG1      THR  24   6.112  -0.578  -1.203
  147   HG21  THR  24          3HG2      THR  24   8.074  -2.425   0.790
  148   HG22  THR  24          1HG2      THR  24   6.387  -2.895   0.580
  149   HG23  THR  24          2HG2      THR  24   6.951  -2.315   2.146
  150    H    CYS  25           H        CYS  25   4.432   0.021  -1.359
  151    HA   CYS  25           HA       CYS  25   2.428  -2.106  -1.378
  152    HB2  CYS  25           2HB      CYS  25   2.949   0.276  -3.154
  153    HB3  CYS  25           3HB      CYS  25   1.826  -0.996  -3.610
  154    H    ILE  26           H        ILE  26   2.854  -4.009  -2.288
  155    HA   ILE  26           HA       ILE  26   4.876  -4.151  -4.421
  156    HB   ILE  26           HB       ILE  26   4.524  -6.211  -2.220
  157   HG12  ILE  26          2HG1      ILE  26   7.079  -4.726  -2.624
  158   HG13  ILE  26          3HG1      ILE  26   5.752  -3.854  -1.867
  159   HG21  ILE  26          1HG2      ILE  26   6.550  -6.105  -4.463
  160   HG22  ILE  26          2HG2      ILE  26   5.192  -7.225  -4.351
  161   HG23  ILE  26          3HG2      ILE  26   6.498  -7.304  -3.170
  162   HD11  ILE  26          3HD1      ILE  26   6.864  -6.471  -0.881
  163   HD12  ILE  26          1HD1      ILE  26   5.648  -5.470  -0.090
  164   HD13  ILE  26          2HD1      ILE  26   7.302  -4.883  -0.252
  165    HA   PRO  27           HA       PRO  27   5.329  -4.969  -6.284
  166    HB2  PRO  27           2HB      PRO  27   3.959  -4.675  -8.812
  167    HB3  PRO  27           3HB      PRO  27   5.219  -5.839  -8.375
  168    HG2  PRO  27           2HG      PRO  27   2.630  -6.510  -8.916
  169    HG3  PRO  27           3HG      PRO  27   3.731  -7.479  -7.917
  170    HD2  PRO  27           2HD      PRO  27   1.548  -5.632  -7.079
  171    HD3  PRO  27           3HD      PRO  27   2.062  -7.173  -6.363
  172    H    GLY  28           H        GLY  28   2.112  -3.632  -7.064
  173    HA2  GLY  28           2HA      GLY  28   1.405  -1.428  -6.665
  174    HA3  GLY  28           3HA      GLY  28   3.081  -0.947  -6.455
  175    H    ASN  29           H        ASN  29   1.946  -2.802  -9.225
  176    HA   ASN  29           HA       ASN  29   1.900  -0.420 -10.900
  177    HB2  ASN  29           2HB      ASN  29   3.398  -1.561 -12.609
  178    HB3  ASN  29           3HB      ASN  29   4.184  -0.934 -11.168
  179   HD21  ASN  29          1HD2      ASN  29   5.083  -2.354  -9.697
  180   HD22  ASN  29          2HD2      ASN  29   5.329  -4.028 -10.047
  181    HA   PRO  30           HA       PRO  30   0.077   0.236 -10.868
  182    HB2  PRO  30           2HB      PRO  30  -2.604   0.431 -10.943
  183    HB3  PRO  30           3HB      PRO  30  -1.614   0.623 -12.401
  184    HG2  PRO  30           2HG      PRO  30  -3.305  -1.656 -11.563
  185    HG3  PRO  30           3HG      PRO  30  -2.923  -1.065 -13.189
  186    HD2  PRO  30           2HD      PRO  30  -1.721  -3.252 -11.880
  187    HD3  PRO  30           3HD      PRO  30  -1.165  -2.479 -13.375
  188    H    ASP  31           H        ASP  31  -1.547  -2.711  -9.873
  189    HA   ASP  31           HA       ASP  31  -2.210  -1.638  -7.243
  190    HB2  ASP  31           2HB      ASP  31  -3.690  -3.195  -8.778
  191    HB3  ASP  31           3HB      ASP  31  -2.745  -4.472  -8.020
  192    H    GLY  32           H        GLY  32  -1.643  -2.747  -5.304
  193    HA2  GLY  32           2HA      GLY  32   0.504  -4.695  -5.351
  194    HA3  GLY  32           3HA      GLY  32   0.956  -3.114  -4.734
  195    H    THR  33           H        THR  33   1.421  -4.704  -2.894
  196    HA   THR  33           HA       THR  33  -0.934  -4.788  -1.120
  197    HB   THR  33           HB       THR  33   1.305  -6.723  -0.686
  198    HG1  THR  33           HG1      THR  33  -0.581  -6.836  -2.782
  199   HG21  THR  33          3HG2      THR  33  -1.692  -6.907  -0.327
  200   HG22  THR  33          1HG2      THR  33  -0.516  -6.570   0.945
  201   HG23  THR  33          2HG2      THR  33  -0.522  -8.141   0.143
  202    H    CYS  34           H        CYS  34  -0.617  -4.150   1.006
  203    HA   CYS  34           HA       CYS  34   1.762  -2.537   1.455
  204    HB2  CYS  34           2HB      CYS  34  -0.877  -2.772   2.875
  205    HB3  CYS  34           3HB      CYS  34   0.471  -1.890   3.583
  206    H    TYR  35           H        TYR  35   3.477  -3.370   2.329
  207    HA   TYR  35           HA       TYR  35   3.213  -5.308   4.533
  208    HB2  TYR  35           2HB      TYR  35   5.049  -5.350   2.154
  209    HB3  TYR  35           3HB      TYR  35   5.545  -6.109   3.660
  210    HD1  TYR  35           HD2      TYR  35   3.970  -7.906   4.642
  211    HD2  TYR  35           HD1      TYR  35   3.722  -6.522   0.622
  212    HE1  TYR  35           HE2      TYR  35   2.749  -9.947   4.020
  213    HE2  TYR  35           HE1      TYR  35   2.503  -8.563  -0.006
  214    HH   TYR  35           HH       TYR  35   1.194 -10.703   2.275
  215    H    TYR  36           H        TYR  36   5.000  -5.293   6.070
  216    HA   TYR  36           HA       TYR  36   5.973  -2.580   6.529
  217    HB2  TYR  36           2HB      TYR  36   4.795  -4.080   8.283
  218    HB3  TYR  36           3HB      TYR  36   6.344  -4.904   8.407
  219    HD1  TYR  36           HD1      TYR  36   4.589  -1.707   8.971
  220    HD2  TYR  36           HD2      TYR  36   8.191  -3.897   9.551
  221    HE1  TYR  36           HE1      TYR  36   5.356  -0.012  10.578
  222    HE2  TYR  36           HE2      TYR  36   8.967  -2.207  11.159
  223    HH   TYR  36           HH       TYR  36   8.556   0.161  11.684
  224    H    LEU  37           H        LEU  37   8.041  -1.966   6.398
  225    HA   LEU  37           HA       LEU  37  10.014  -3.940   5.507
  226    HB2  LEU  37           2HB      LEU  37   9.910  -0.933   5.334
  227    HB3  LEU  37           3HB      LEU  37  11.361  -1.842   4.958
  228    HG   LEU  37           HG       LEU  37   8.809  -2.504   3.540
  229   HD11  LEU  37          1HD1      LEU  37  10.634  -0.186   2.937
  230   HD12  LEU  37          2HD1      LEU  37   8.906  -0.131   3.283
  231   HD13  LEU  37          3HD1      LEU  37   9.484  -0.862   1.785
  232   HD21  LEU  37          3HD2      LEU  37  10.359  -3.096   1.739
  233   HD22  LEU  37          1HD2      LEU  37  10.750  -3.955   3.229
  234   HD23  LEU  37          2HD2      LEU  37  11.718  -2.568   2.732
  Start of MODEL   17
    1    H1   PCA   1           H        PCA   1  -9.499  10.253   5.282
    2    HA   PCA   1           HA       PCA   1  -7.680   8.717   5.322
    3    HB2  PCA   1           3HB      PCA   1  -8.723   7.008   6.648
    4    HB3  PCA   1           2HB      PCA   1  -8.914   6.159   5.065
    5    HG2  PCA   1           3HG      PCA   1 -11.106   6.703   6.087
    6    HG3  PCA   1           2HG      PCA   1 -10.199   7.252   7.520
    7    H    GLY   2           H        GLY   2  -6.552   7.995   3.539
    8    HA2  GLY   2           2HA      GLY   2  -8.006   7.153   1.138
    9    HA3  GLY   2           3HA      GLY   2  -6.974   8.567   1.009
   10    H    CYS   3           H        CYS   3  -6.048   5.951   3.109
   11    HA   CYS   3           HA       CYS   3  -4.174   4.910   1.101
   12    HB2  CYS   3           2HB      CYS   3  -2.357   4.889   2.744
   13    HB3  CYS   3           3HB      CYS   3  -2.941   6.528   2.481
   14    H    ALA   4           H        ALA   4  -3.409   2.760   1.498
   15    HA   ALA   4           HA       ALA   4  -5.360   1.136   2.936
   16    HB1  ALA   4           3HB      ALA   4  -4.802  -0.588   1.548
   17    HB2  ALA   4           1HB      ALA   4  -3.114  -0.092   1.432
   18    HB3  ALA   4           2HB      ALA   4  -4.351   0.770   0.516
   19    H    PHE   5           H        PHE   5  -4.803  -0.491   4.421
   20    HA   PHE   5           HA       PHE   5  -2.382   0.094   5.953
   21    HB2  PHE   5           2HB      PHE   5  -3.500  -1.351   7.730
   22    HB3  PHE   5           3HB      PHE   5  -4.284   0.176   7.364
   23    HD1  PHE   5           HD1      PHE   5  -4.462  -3.478   6.704
   24    HD2  PHE   5           HD2      PHE   5  -6.534   0.242   6.749
   25    HE1  PHE   5           HE1      PHE   5  -6.589  -4.662   6.352
   26    HE2  PHE   5           HE2      PHE   5  -8.664  -0.938   6.396
   27    HZ   PHE   5           HZ       PHE   5  -8.693  -3.391   6.198
   28    H    GLU   6           H        GLU   6  -1.522  -1.985   7.144
   29    HA   GLU   6           HA       GLU   6  -0.283  -3.613   5.202
   30    HB2  GLU   6           2HB      GLU   6   0.461  -2.947   7.607
   31    HB3  GLU   6           3HB      GLU   6  -0.440  -4.369   8.103
   32    HG2  GLU   6           2HG      GLU   6   0.963  -5.748   6.622
   33    HG3  GLU   6           3HG      GLU   6   1.896  -4.313   6.202
   34    H    GLY   7           H        GLY   7  -0.799  -5.504   4.315
   35    HA2  GLY   7           2HA      GLY   7  -1.620  -7.742   4.399
   36    HA3  GLY   7           3HA      GLY   7  -2.756  -7.253   5.639
   37    H    GLU   8           H        GLU   8  -2.678  -5.060   3.012
   38    HA   GLU   8           HA       GLU   8  -4.818  -6.486   1.607
   39    HB2  GLU   8           2HB      GLU   8  -6.267  -4.523   1.549
   40    HB3  GLU   8           3HB      GLU   8  -5.942  -4.996   3.206
   41    HG2  GLU   8           2HG      GLU   8  -4.582  -3.139   3.593
   42    HG3  GLU   8           3HG      GLU   8  -4.363  -2.827   1.873
   43    H    SER   9           H        SER   9  -5.517  -5.051  -0.399
   44    HA   SER   9           HA       SER   9  -3.085  -4.636  -1.944
   45    HB2  SER   9           2HB      SER   9  -4.677  -4.530  -3.886
   46    HB3  SER   9           3HB      SER   9  -4.742  -6.041  -2.981
   47    HG   SER   9           HG       SER   9  -6.816  -5.560  -3.044
   48    H    CYS  10           H        CYS  10  -2.560  -2.771  -3.031
   49    HA   CYS  10           HA       CYS  10  -4.149  -0.357  -2.507
   50    HB2  CYS  10           2HB      CYS  10  -1.899   0.834  -2.135
   51    HB3  CYS  10           3HB      CYS  10  -2.502  -0.177  -0.827
   52    H    ASN  11           H        ASN  11  -4.406   0.898  -4.241
   53    HA   ASN  11           HA       ASN  11  -2.902   0.260  -6.677
   54    HB2  ASN  11           2HB      ASN  11  -5.623   1.296  -6.119
   55    HB3  ASN  11           3HB      ASN  11  -4.823   1.950  -7.544
   56   HD21  ASN  11          1HD2      ASN  11  -4.175   0.512  -9.196
   57   HD22  ASN  11          2HD2      ASN  11  -4.959  -1.014  -9.396
   58    H    VAL  12           H        VAL  12  -1.286   1.515  -7.261
   59    HA   VAL  12           HA       VAL  12  -0.715   3.995  -5.953
   60    HB   VAL  12           HB       VAL  12   1.253   4.139  -7.466
   61   HG11  VAL  12          1HG1      VAL  12   0.885   1.450  -6.153
   62   HG12  VAL  12          2HG1      VAL  12   1.394   2.936  -5.350
   63   HG13  VAL  12          3HG1      VAL  12   2.426   2.198  -6.574
   64   HG21  VAL  12          3HG2      VAL  12   1.802   2.256  -8.947
   65   HG22  VAL  12          1HG2      VAL  12   0.342   3.094  -9.474
   66   HG23  VAL  12          2HG2      VAL  12   0.217   1.550  -8.633
   67    H    GLN  13           H        GLN  13  -3.080   3.615  -8.015
   68    HA   GLN  13           HA       GLN  13  -2.501   5.957  -9.694
   69    HB2  GLN  13           2HB      GLN  13  -3.341   3.629 -10.575
   70    HB3  GLN  13           3HB      GLN  13  -4.911   4.209 -10.048
   71    HG2  GLN  13           2HG      GLN  13  -4.849   4.781 -12.293
   72    HG3  GLN  13           3HG      GLN  13  -4.407   6.281 -11.482
   73   HE21  GLN  13          1HE2      GLN  13  -2.287   7.026 -11.614
   74   HE22  GLN  13          2HE2      GLN  13  -1.175   6.429 -12.794
   75    H    PHE  14           H        PHE  14  -4.625   4.773  -7.162
   76    HA   PHE  14           HA       PHE  14  -5.689   7.456  -6.779
   77    HB2  PHE  14           2HB      PHE  14  -8.058   6.320  -6.513
   78    HB3  PHE  14           3HB      PHE  14  -7.487   6.841  -8.094
   79    HD1  PHE  14           HD2      PHE  14  -8.163   3.951  -5.945
   80    HD2  PHE  14           HD1      PHE  14  -6.907   5.255  -9.792
   81    HE1  PHE  14           HE2      PHE  14  -8.431   1.661  -6.802
   82    HE2  PHE  14           HE1      PHE  14  -7.168   2.967 -10.658
   83    HZ   PHE  14           HZ       PHE  14  -7.922   1.170  -9.159
   84    H    TYR  15           H        TYR  15  -5.130   4.219  -5.557
   85    HA   TYR  15           HA       TYR  15  -5.757   5.212  -2.852
   86    HB2  TYR  15           2HB      TYR  15  -7.341   3.434  -3.919
   87    HB3  TYR  15           3HB      TYR  15  -6.045   2.306  -3.549
   88    HD1  TYR  15           HD1      TYR  15  -8.473   4.672  -2.064
   89    HD2  TYR  15           HD2      TYR  15  -5.703   1.527  -1.325
   90    HE1  TYR  15           HE1      TYR  15  -9.339   4.455   0.226
   91    HE2  TYR  15           HE2      TYR  15  -6.564   1.303   0.967
   92    HH   TYR  15           HH       TYR  15  -9.445   2.768   2.004
   93    HA   PRO  16           HA       PRO  16  -1.343   3.831  -2.773
   94    HB2  PRO  16           2HB      PRO  16  -0.374   5.874  -1.271
   95    HB3  PRO  16           3HB      PRO  16  -0.626   6.019  -3.020
   96    HG2  PRO  16           2HG      PRO  16  -2.278   7.063  -0.784
   97    HG3  PRO  16           3HG      PRO  16  -1.914   7.791  -2.361
   98    HD2  PRO  16           2HD      PRO  16  -4.271   6.496  -1.739
   99    HD3  PRO  16           3HD      PRO  16  -3.652   6.738  -3.382
  100    H    CYS  17           H        CYS  17   0.176   3.637  -0.738
  101    HA   CYS  17           HA       CYS  17  -1.378   2.322   1.347
  102    HB2  CYS  17           2HB      CYS  17   0.706   1.347   0.171
  103    HB3  CYS  17           3HB      CYS  17   1.629   2.427   1.210
  104    H    CYS  18           H        CYS  18  -0.801   2.632   3.647
  105    HA   CYS  18           HA       CYS  18  -0.713   5.438   4.295
  106    HB2  CYS  18           2HB      CYS  18  -0.899   3.008   6.084
  107    HB3  CYS  18           3HB      CYS  18  -1.074   4.673   6.623
  108    HA   PRO  19           HA       PRO  19   3.771   5.145   5.017
  109    HB2  PRO  19           2HB      PRO  19   4.356   7.751   4.647
  110    HB3  PRO  19           3HB      PRO  19   3.997   6.674   3.285
  111    HG2  PRO  19           2HG      PRO  19   2.288   8.738   4.556
  112    HG3  PRO  19           3HG      PRO  19   2.403   8.254   2.854
  113    HD2  PRO  19           2HD      PRO  19   0.424   7.435   4.640
  114    HD3  PRO  19           3HD      PRO  19   0.809   6.661   3.092
  115    H    GLY  20           H        GLY  20   5.316   6.521   6.455
  116    HA2  GLY  20           2HA      GLY  20   5.630   7.865   8.403
  117    HA3  GLY  20           3HA      GLY  20   3.947   7.594   8.824
  118    H    LEU  21           H        LEU  21   3.902   4.778   8.514
  119    HA   LEU  21           HA       LEU  21   5.229   4.005  10.986
  120    HB2  LEU  21           2HB      LEU  21   3.220   2.577   9.243
  121    HB3  LEU  21           3HB      LEU  21   3.893   1.901  10.713
  122    HG   LEU  21           HG       LEU  21   2.526   4.552  10.867
  123   HD11  LEU  21          1HD1      LEU  21   0.368   3.432  11.190
  124   HD12  LEU  21          2HD1      LEU  21   1.102   1.898  10.720
  125   HD13  LEU  21          3HD1      LEU  21   0.985   3.214   9.552
  126   HD21  LEU  21          3HD2      LEU  21   3.649   3.646  12.838
  127   HD22  LEU  21          1HD2      LEU  21   2.686   2.172  12.719
  128   HD23  LEU  21          2HD2      LEU  21   1.903   3.711  13.081
  129    H    GLY  22           H        GLY  22   5.265   3.150   7.559
  130    HA2  GLY  22           2HA      GLY  22   7.535   2.550   6.713
  131    HA3  GLY  22           3HA      GLY  22   7.618   1.430   8.065
  132    H    LEU  23           H        LEU  23   5.080   2.151   5.675
  133    HA   LEU  23           HA       LEU  23   5.006  -0.719   5.004
  134    HB2  LEU  23           2HB      LEU  23   2.776   1.316   4.857
  135    HB3  LEU  23           3HB      LEU  23   2.646  -0.357   4.360
  136    HG   LEU  23           HG       LEU  23   3.361   0.354   7.194
  137   HD11  LEU  23          1HD1      LEU  23   0.996   0.215   7.767
  138   HD12  LEU  23          2HD1      LEU  23   0.583   0.060   6.059
  139   HD13  LEU  23          3HD1      LEU  23   1.302   1.555   6.660
  140   HD21  LEU  23          3HD2      LEU  23   1.923  -2.026   6.028
  141   HD22  LEU  23          1HD2      LEU  23   2.472  -1.825   7.691
  142   HD23  LEU  23          2HD2      LEU  23   3.648  -1.982   6.387
  143    H    THR  24           H        THR  24   4.708  -1.333   2.843
  144    HA   THR  24           HA       THR  24   4.968   0.748   0.804
  145    HB   THR  24           HB       THR  24   7.272   0.076   1.260
  146    HG1  THR  24           HG1      THR  24   7.655   0.166  -0.813
  147   HG21  THR  24          3HG2      THR  24   6.417  -2.733   0.527
  148   HG22  THR  24          1HG2      THR  24   6.925  -2.186   2.125
  149   HG23  THR  24          2HG2      THR  24   8.078  -2.202   0.790
  150    H    CYS  25           H        CYS  25   4.384   0.094  -1.329
  151    HA   CYS  25           HA       CYS  25   2.435  -2.084  -1.364
  152    HB2  CYS  25           2HB      CYS  25   2.900   0.321  -3.122
  153    HB3  CYS  25           3HB      CYS  25   1.831  -0.986  -3.607
  154    H    ILE  26           H        ILE  26   2.904  -3.968  -2.290
  155    HA   ILE  26           HA       ILE  26   4.968  -4.052  -4.388
  156    HB   ILE  26           HB       ILE  26   4.609  -6.143  -2.217
  157   HG12  ILE  26          2HG1      ILE  26   7.144  -4.605  -2.551
  158   HG13  ILE  26          3HG1      ILE  26   5.786  -3.770  -1.807
  159   HG21  ILE  26          1HG2      ILE  26   6.676  -5.972  -4.419
  160   HG22  ILE  26          2HG2      ILE  26   5.338  -7.119  -4.344
  161   HG23  ILE  26          3HG2      ILE  26   6.624  -7.186  -3.139
  162   HD11  ILE  26          3HD1      ILE  26   7.306  -4.779  -0.166
  163   HD12  ILE  26          1HD1      ILE  26   6.954  -6.370  -0.839
  164   HD13  ILE  26          2HD1      ILE  26   5.674  -5.437  -0.065
  165    HA   PRO  27           HA       PRO  27   5.475  -4.858  -6.248
  166    HB2  PRO  27           2HB      PRO  27   4.158  -4.566  -8.802
  167    HB3  PRO  27           3HB      PRO  27   5.419  -5.721  -8.344
  168    HG2  PRO  27           2HG      PRO  27   2.845  -6.408  -8.945
  169    HG3  PRO  27           3HG      PRO  27   3.938  -7.378  -7.938
  170    HD2  PRO  27           2HD      PRO  27   1.718  -5.569  -7.120
  171    HD3  PRO  27           3HD      PRO  27   2.243  -7.108  -6.407
  172    H    GLY  28           H        GLY  28   2.255  -3.567  -7.065
  173    HA2  GLY  28           2HA      GLY  28   1.502  -1.380  -6.676
  174    HA3  GLY  28           3HA      GLY  28   3.163  -0.870  -6.430
  175    H    ASN  29           H        ASN  29   2.066  -2.715  -9.231
  176    HA   ASN  29           HA       ASN  29   2.023  -0.326 -10.892
  177    HB2  ASN  29           2HB      ASN  29   3.577  -1.424 -12.581
  178    HB3  ASN  29           3HB      ASN  29   4.321  -0.787 -11.123
  179   HD21  ASN  29          1HD2      ASN  29   5.210  -2.199  -9.632
  180   HD22  ASN  29          2HD2      ASN  29   5.506  -3.863  -9.990
  181    HA   PRO  30           HA       PRO  30   0.174   0.248 -10.812
  182    HB2  PRO  30           2HB      PRO  30  -2.523   0.360 -10.959
  183    HB3  PRO  30           3HB      PRO  30  -1.481   0.694 -12.352
  184    HG2  PRO  30           2HG      PRO  30  -3.187  -1.638 -11.815
  185    HG3  PRO  30           3HG      PRO  30  -2.603  -0.992 -13.357
  186    HD2  PRO  30           2HD      PRO  30  -1.561  -3.213 -11.899
  187    HD3  PRO  30           3HD      PRO  30  -0.933  -2.509 -13.400
  188    H    ASP  31           H        ASP  31  -1.411  -2.763  -9.962
  189    HA   ASP  31           HA       ASP  31  -2.222  -1.813  -7.334
  190    HB2  ASP  31           2HB      ASP  31  -3.494  -3.472  -8.946
  191    HB3  ASP  31           3HB      ASP  31  -2.455  -4.670  -8.183
  192    H    GLY  32           H        GLY  32  -1.605  -2.863  -5.390
  193    HA2  GLY  32           2HA      GLY  32   0.692  -4.636  -5.379
  194    HA3  GLY  32           3HA      GLY  32   0.994  -3.028  -4.741
  195    H    THR  33           H        THR  33   1.528  -4.638  -2.912
  196    HA   THR  33           HA       THR  33  -0.857  -4.862  -1.188
  197    HB   THR  33           HB       THR  33   1.458  -6.706  -0.747
  198    HG1  THR  33           HG1      THR  33   1.113  -7.750  -2.549
  199   HG21  THR  33          3HG2      THR  33  -0.391  -6.656   0.860
  200   HG22  THR  33          1HG2      THR  33  -0.318  -8.214   0.036
  201   HG23  THR  33          2HG2      THR  33  -1.533  -7.024  -0.432
  202    H    CYS  34           H        CYS  34  -0.613  -4.229   0.945
  203    HA   CYS  34           HA       CYS  34   1.691  -2.534   1.470
  204    HB2  CYS  34           2HB      CYS  34  -0.975  -2.885   2.812
  205    HB3  CYS  34           3HB      CYS  34   0.323  -1.982   3.586
  206    H    TYR  35           H        TYR  35   3.424  -3.351   2.328
  207    HA   TYR  35           HA       TYR  35   3.195  -5.290   4.536
  208    HB2  TYR  35           2HB      TYR  35   5.025  -5.320   2.152
  209    HB3  TYR  35           3HB      TYR  35   5.528  -6.074   3.658
  210    HD1  TYR  35           HD1      TYR  35   3.922  -7.861   4.653
  211    HD2  TYR  35           HD2      TYR  35   3.755  -6.532   0.609
  212    HE1  TYR  35           HE1      TYR  35   2.723  -9.914   4.032
  213    HE2  TYR  35           HE2      TYR  35   2.553  -8.583  -0.016
  214    HH   TYR  35           HH       TYR  35   2.265 -10.874   0.810
  215    H    TYR  36           H        TYR  36   5.027  -5.261   6.043
  216    HA   TYR  36           HA       TYR  36   5.951  -2.530   6.504
  217    HB2  TYR  36           2HB      TYR  36   4.839  -4.100   8.261
  218    HB3  TYR  36           3HB      TYR  36   6.433  -4.837   8.369
  219    HD1  TYR  36           HD1      TYR  36   4.464  -1.811   9.039
  220    HD2  TYR  36           HD2      TYR  36   8.279  -3.660   9.400
  221    HE1  TYR  36           HE1      TYR  36   5.151  -0.070  10.634
  222    HE2  TYR  36           HE2      TYR  36   8.976  -1.924  10.996
  223    HH   TYR  36           HH       TYR  36   6.794   0.223  12.447
  224    H    LEU  37           H        LEU  37   8.021  -1.881   6.414
  225    HA   LEU  37           HA       LEU  37  10.008  -3.799   5.435
  226    HB2  LEU  37           2HB      LEU  37   9.869  -0.789   5.358
  227    HB3  LEU  37           3HB      LEU  37  11.325  -1.669   4.940
  228    HG   LEU  37           HG       LEU  37   8.767  -2.316   3.527
  229   HD11  LEU  37          1HD1      LEU  37   9.428  -0.609   1.814
  230   HD12  LEU  37          2HD1      LEU  37  10.546   0.055   3.005
  231   HD13  LEU  37          3HD1      LEU  37   8.812   0.054   3.328
  232   HD21  LEU  37          3HD2      LEU  37  10.724  -3.731   3.150
  233   HD22  LEU  37          1HD2      LEU  37  11.668  -2.314   2.686
  234   HD23  LEU  37          2HD2      LEU  37  10.305  -2.831   1.692
  Start of MODEL   18
    1    H1   PCA   1           H        PCA   1 -11.542   7.108   3.199
    2    HA   PCA   1           HA       PCA   1 -10.154   7.436   5.107
    3    HB2  PCA   1           3HB      PCA   1  -9.820   5.129   5.675
    4    HB3  PCA   1           2HB      PCA   1  -8.198   5.369   4.918
    5    HG2  PCA   1           3HG      PCA   1  -9.549   3.698   3.684
    6    HG3  PCA   1           2HG      PCA   1 -10.754   3.841   4.990
    7    H    GLY   2           H        GLY   2  -8.803   6.317   2.007
    8    HA2  GLY   2           2HA      GLY   2  -7.556   8.002   0.699
    9    HA3  GLY   2           3HA      GLY   2  -6.734   8.422   2.194
   10    H    CYS   3           H        CYS   3  -5.463   6.650   3.223
   11    HA   CYS   3           HA       CYS   3  -3.991   5.186   1.153
   12    HB2  CYS   3           2HB      CYS   3  -2.179   5.043   2.798
   13    HB3  CYS   3           3HB      CYS   3  -2.678   6.712   2.550
   14    H    ALA   4           H        ALA   4  -3.259   2.996   1.581
   15    HA   ALA   4           HA       ALA   4  -5.319   1.435   2.935
   16    HB1  ALA   4           3HB      ALA   4  -4.241   1.050   0.539
   17    HB2  ALA   4           1HB      ALA   4  -4.811  -0.289   1.539
   18    HB3  ALA   4           2HB      ALA   4  -3.095   0.109   1.498
   19    H    PHE   5           H        PHE   5  -4.949  -0.097   4.482
   20    HA   PHE   5           HA       PHE   5  -2.636   0.313   6.186
   21    HB2  PHE   5           2HB      PHE   5  -4.782  -1.733   6.712
   22    HB3  PHE   5           3HB      PHE   5  -3.844  -0.795   7.868
   23    HD1  PHE   5           HD2      PHE   5  -4.455   1.517   8.378
   24    HD2  PHE   5           HD1      PHE   5  -6.752  -0.852   5.693
   25    HE1  PHE   5           HE2      PHE   5  -6.297   3.141   8.523
   26    HE2  PHE   5           HE1      PHE   5  -8.594   0.768   5.830
   27    HZ   PHE   5           HZ       PHE   5  -8.363   2.764   7.240
   28    H    GLU   6           H        GLU   6  -1.832  -1.876   7.271
   29    HA   GLU   6           HA       GLU   6  -0.460  -3.340   5.234
   30    HB2  GLU   6           2HB      GLU   6   0.382  -2.702   7.575
   31    HB3  GLU   6           3HB      GLU   6  -0.554  -4.067   8.158
   32    HG2  GLU   6           2HG      GLU   6   0.756  -5.554   6.683
   33    HG3  GLU   6           3HG      GLU   6   1.734  -4.171   6.198
   34    H    GLY   7           H        GLY   7  -0.799  -5.336   4.438
   35    HA2  GLY   7           2HA      GLY   7  -1.595  -7.565   4.469
   36    HA3  GLY   7           3HA      GLY   7  -2.745  -7.117   5.715
   37    H    GLU   8           H        GLU   8  -2.786  -4.855   3.191
   38    HA   GLU   8           HA       GLU   8  -4.881  -6.319   1.749
   39    HB2  GLU   8           2HB      GLU   8  -6.312  -4.306   1.685
   40    HB3  GLU   8           3HB      GLU   8  -6.067  -4.901   3.317
   41    HG2  GLU   8           2HG      GLU   8  -4.442  -3.125   3.728
   42    HG3  GLU   8           3HG      GLU   8  -4.662  -2.542   2.078
   43    H    SER   9           H        SER   9  -5.604  -4.843  -0.242
   44    HA   SER   9           HA       SER   9  -3.188  -4.482  -1.817
   45    HB2  SER   9           2HB      SER   9  -6.103  -4.438  -2.628
   46    HB3  SER   9           3HB      SER   9  -4.736  -4.365  -3.739
   47    HG   SER   9           HG       SER   9  -4.092  -6.429  -2.775
   48    H    CYS  10           H        CYS  10  -2.632  -2.644  -2.938
   49    HA   CYS  10           HA       CYS  10  -4.100  -0.163  -2.400
   50    HB2  CYS  10           2HB      CYS  10  -1.824   0.949  -2.014
   51    HB3  CYS  10           3HB      CYS  10  -2.437  -0.066  -0.714
   52    H    ASN  11           H        ASN  11  -4.337   1.044  -4.172
   53    HA   ASN  11           HA       ASN  11  -2.798   0.347  -6.568
   54    HB2  ASN  11           2HB      ASN  11  -5.532   1.373  -6.086
   55    HB3  ASN  11           3HB      ASN  11  -4.709   2.015  -7.505
   56   HD21  ASN  11          1HD2      ASN  11  -4.081   0.597  -9.152
   57   HD22  ASN  11          2HD2      ASN  11  -4.818  -0.955  -9.334
   58    H    VAL  12           H        VAL  12  -1.187   1.582  -7.178
   59    HA   VAL  12           HA       VAL  12  -0.592   4.069  -5.901
   60    HB   VAL  12           HB       VAL  12   1.372   4.181  -7.415
   61   HG11  VAL  12          1HG1      VAL  12   2.533   2.250  -6.512
   62   HG12  VAL  12          2HG1      VAL  12   0.994   1.487  -6.117
   63   HG13  VAL  12          3HG1      VAL  12   1.482   2.968  -5.291
   64   HG21  VAL  12          3HG2      VAL  12   0.303   1.602  -8.575
   65   HG22  VAL  12          1HG2      VAL  12   1.896   2.290  -8.895
   66   HG23  VAL  12          2HG2      VAL  12   0.444   3.143  -9.420
   67    H    GLN  13           H        GLN  13  -2.950   3.675  -7.999
   68    HA   GLN  13           HA       GLN  13  -2.347   6.007  -9.679
   69    HB2  GLN  13           2HB      GLN  13  -3.217   3.683 -10.540
   70    HB3  GLN  13           3HB      GLN  13  -4.779   4.291 -10.022
   71    HG2  GLN  13           2HG      GLN  13  -4.704   4.842 -12.272
   72    HG3  GLN  13           3HG      GLN  13  -4.238   6.342 -11.474
   73   HE21  GLN  13          1HE2      GLN  13  -2.104   7.047 -11.605
   74   HE22  GLN  13          2HE2      GLN  13  -1.000   6.421 -12.778
   75    H    PHE  14           H        PHE  14  -4.502   4.872  -7.146
   76    HA   PHE  14           HA       PHE  14  -5.527   7.577  -6.795
   77    HB2  PHE  14           2HB      PHE  14  -7.911   6.471  -6.520
   78    HB3  PHE  14           3HB      PHE  14  -7.331   6.970  -8.105
   79    HD1  PHE  14           HD2      PHE  14  -8.037   4.107  -5.928
   80    HD2  PHE  14           HD1      PHE  14  -6.771   5.362  -9.788
   81    HE1  PHE  14           HE2      PHE  14  -8.330   1.812  -6.763
   82    HE2  PHE  14           HE1      PHE  14  -7.056   3.070 -10.632
   83    HZ   PHE  14           HZ       PHE  14  -7.828   1.294  -9.116
   84    H    TYR  15           H        TYR  15  -5.017   4.348  -5.533
   85    HA   TYR  15           HA       TYR  15  -5.644   5.377  -2.841
   86    HB2  TYR  15           2HB      TYR  15  -7.238   3.605  -3.884
   87    HB3  TYR  15           3HB      TYR  15  -5.946   2.467  -3.530
   88    HD1  TYR  15           HD2      TYR  15  -8.288   4.897  -1.984
   89    HD2  TYR  15           HD1      TYR  15  -5.656   1.615  -1.345
   90    HE1  TYR  15           HE2      TYR  15  -9.138   4.670   0.312
   91    HE2  TYR  15           HE1      TYR  15  -6.503   1.378   0.951
   92    HH   TYR  15           HH       TYR  15  -9.304   2.940   2.051
   93    HA   PRO  16           HA       PRO  16  -1.228   3.995  -2.738
   94    HB2  PRO  16           2HB      PRO  16  -0.275   6.030  -1.213
   95    HB3  PRO  16           3HB      PRO  16  -0.508   6.183  -2.964
   96    HG2  PRO  16           2HG      PRO  16  -2.188   7.214  -0.742
   97    HG3  PRO  16           3HG      PRO  16  -1.802   7.952  -2.308
   98    HD2  PRO  16           2HD      PRO  16  -4.169   6.662  -1.734
   99    HD3  PRO  16           3HD      PRO  16  -3.519   6.898  -3.366
  100    H    CYS  17           H        CYS  17   0.270   3.734  -0.726
  101    HA   CYS  17           HA       CYS  17  -1.298   2.440   1.362
  102    HB2  CYS  17           2HB      CYS  17   0.740   1.413   0.170
  103    HB3  CYS  17           3HB      CYS  17   1.710   2.482   1.178
  104    H    CYS  18           H        CYS  18  -0.718   2.718   3.660
  105    HA   CYS  18           HA       CYS  18  -0.537   5.515   4.335
  106    HB2  CYS  18           2HB      CYS  18  -0.800   3.067   6.090
  107    HB3  CYS  18           3HB      CYS  18  -0.896   4.728   6.663
  108    HA   PRO  19           HA       PRO  19   3.939   5.087   5.039
  109    HB2  PRO  19           2HB      PRO  19   4.595   7.678   4.678
  110    HB3  PRO  19           3HB      PRO  19   4.202   6.617   3.313
  111    HG2  PRO  19           2HG      PRO  19   2.558   8.726   4.593
  112    HG3  PRO  19           3HG      PRO  19   2.651   8.240   2.891
  113    HD2  PRO  19           2HD      PRO  19   0.659   7.476   4.691
  114    HD3  PRO  19           3HD      PRO  19   1.008   6.699   3.136
  115    H    GLY  20           H        GLY  20   5.527   6.423   6.475
  116    HA2  GLY  20           2HA      GLY  20   5.869   7.765   8.426
  117    HA3  GLY  20           3HA      GLY  20   4.188   7.501   8.862
  118    H    LEU  21           H        LEU  21   4.122   4.689   8.526
  119    HA   LEU  21           HA       LEU  21   5.479   3.883  10.973
  120    HB2  LEU  21           2HB      LEU  21   3.421   2.492   9.258
  121    HB3  LEU  21           3HB      LEU  21   4.112   1.799  10.711
  122    HG   LEU  21           HG       LEU  21   3.212   4.056  11.789
  123   HD11  LEU  21          1HD1      LEU  21   2.399   5.005   9.699
  124   HD12  LEU  21          2HD1      LEU  21   1.064   4.697  10.810
  125   HD13  LEU  21          3HD1      LEU  21   1.354   3.605   9.455
  126   HD21  LEU  21          3HD2      LEU  21   1.173   2.841  12.409
  127   HD22  LEU  21          1HD2      LEU  21   2.606   1.817  12.505
  128   HD23  LEU  21          2HD2      LEU  21   1.500   1.660  11.140
  129    H    GLY  22           H        GLY  22   5.469   3.099   7.537
  130    HA2  GLY  22           2HA      GLY  22   7.699   2.458   6.639
  131    HA3  GLY  22           3HA      GLY  22   7.794   1.325   7.979
  132    H    LEU  23           H        LEU  23   5.253   2.118   5.616
  133    HA   LEU  23           HA       LEU  23   5.064  -0.751   4.967
  134    HB2  LEU  23           2HB      LEU  23   2.927   1.378   4.792
  135    HB3  LEU  23           3HB      LEU  23   2.723  -0.295   4.317
  136    HG   LEU  23           HG       LEU  23   3.473   0.416   7.141
  137   HD11  LEU  23          1HD1      LEU  23   0.682   0.262   6.011
  138   HD12  LEU  23          2HD1      LEU  23   1.481   1.719   6.602
  139   HD13  LEU  23          3HD1      LEU  23   1.103   0.406   7.717
  140   HD21  LEU  23          3HD2      LEU  23   3.636  -1.938   6.363
  141   HD22  LEU  23          1HD2      LEU  23   1.912  -1.897   5.997
  142   HD23  LEU  23          2HD2      LEU  23   2.467  -1.708   7.661
  143    H    THR  24           H        THR  24   4.758  -1.379   2.819
  144    HA   THR  24           HA       THR  24   5.087   0.664   0.750
  145    HB   THR  24           HB       THR  24   7.364  -0.083   1.192
  146    HG1  THR  24           HG1      THR  24   6.759   0.324  -0.997
  147   HG21  THR  24          3HG2      THR  24   6.936  -2.307   2.126
  148   HG22  THR  24          1HG2      THR  24   8.086  -2.399   0.791
  149   HG23  THR  24          2HG2      THR  24   6.408  -2.881   0.545
  150    H    CYS  25           H        CYS  25   4.438   0.029  -1.359
  151    HA   CYS  25           HA       CYS  25   2.420  -2.085  -1.362
  152    HB2  CYS  25           2HB      CYS  25   2.944   0.295  -3.136
  153    HB3  CYS  25           3HB      CYS  25   1.825  -0.976  -3.602
  154    H    ILE  26           H        ILE  26   2.811  -3.987  -2.286
  155    HA   ILE  26           HA       ILE  26   4.852  -4.152  -4.401
  156    HB   ILE  26           HB       ILE  26   4.429  -6.211  -2.211
  157   HG12  ILE  26          2HG1      ILE  26   7.024  -4.791  -2.595
  158   HG13  ILE  26          3HG1      ILE  26   5.714  -3.885  -1.850
  159   HG21  ILE  26          1HG2      ILE  26   6.478  -6.157  -4.435
  160   HG22  ILE  26          2HG2      ILE  26   5.088  -7.238  -4.341
  161   HG23  ILE  26          3HG2      ILE  26   6.378  -7.357  -3.145
  162   HD11  ILE  26          3HD1      ILE  26   6.761  -6.524  -0.852
  163   HD12  ILE  26          1HD1      ILE  26   5.549  -5.506  -0.076
  164   HD13  ILE  26          2HD1      ILE  26   7.214  -4.943  -0.215
  165    HA   PRO  27           HA       PRO  27   5.311  -4.962  -6.262
  166    HB2  PRO  27           2HB      PRO  27   3.986  -4.630  -8.808
  167    HB3  PRO  27           3HB      PRO  27   5.214  -5.823  -8.358
  168    HG2  PRO  27           2HG      PRO  27   2.620  -6.437  -8.940
  169    HG3  PRO  27           3HG      PRO  27   3.686  -7.433  -7.929
  170    HD2  PRO  27           2HD      PRO  27   1.530  -5.543  -7.116
  171    HD3  PRO  27           3HD      PRO  27   1.998  -7.099  -6.400
  172    H    GLY  28           H        GLY  28   2.128  -3.562  -7.067
  173    HA2  GLY  28           2HA      GLY  28   1.455  -1.347  -6.691
  174    HA3  GLY  28           3HA      GLY  28   3.134  -0.897  -6.440
  175    H    ASN  29           H        ASN  29   1.993  -2.720  -9.229
  176    HA   ASN  29           HA       ASN  29   2.063  -0.347 -10.915
  177    HB2  ASN  29           2HB      ASN  29   3.554  -1.580 -12.587
  178    HB3  ASN  29           3HB      ASN  29   4.326  -0.915 -11.156
  179   HD21  ASN  29          1HD2      ASN  29   3.443  -3.787 -12.869
  180   HD22  ASN  29          2HD2      ASN  29   4.339  -4.898 -11.895
  181    HA   PRO  30           HA       PRO  30   0.229   0.289 -10.765
  182    HB2  PRO  30           2HB      PRO  30  -2.464   0.518 -10.897
  183    HB3  PRO  30           3HB      PRO  30  -1.411   0.831 -12.287
  184    HG2  PRO  30           2HG      PRO  30  -3.227  -1.421 -11.797
  185    HG3  PRO  30           3HG      PRO  30  -2.586  -0.795 -13.324
  186    HD2  PRO  30           2HD      PRO  30  -1.678  -3.071 -11.843
  187    HD3  PRO  30           3HD      PRO  30  -1.023  -2.422 -13.357
  188    H    ASP  31           H        ASP  31  -1.489  -2.655  -9.936
  189    HA   ASP  31           HA       ASP  31  -2.216  -1.677  -7.294
  190    HB2  ASP  31           2HB      ASP  31  -3.310  -3.935  -7.052
  191    HB3  ASP  31           3HB      ASP  31  -3.942  -2.937  -8.353
  192    H    GLY  32           H        GLY  32  -1.654  -2.734  -5.347
  193    HA2  GLY  32           2HA      GLY  32   0.500  -4.680  -5.353
  194    HA3  GLY  32           3HA      GLY  32   0.932  -3.094  -4.735
  195    H    THR  33           H        THR  33   1.392  -4.644  -2.879
  196    HA   THR  33           HA       THR  33  -0.976  -4.737  -1.124
  197    HB   THR  33           HB       THR  33   1.253  -6.683  -0.682
  198    HG1  THR  33           HG1      THR  33   0.120  -8.166  -2.097
  199   HG21  THR  33          3HG2      THR  33  -0.583  -8.091   0.145
  200   HG22  THR  33          1HG2      THR  33  -1.745  -6.850  -0.325
  201   HG23  THR  33          2HG2      THR  33  -0.569  -6.520   0.947
  202    H    CYS  34           H        CYS  34  -0.656  -4.132   1.018
  203    HA   CYS  34           HA       CYS  34   1.716  -2.510   1.475
  204    HB2  CYS  34           2HB      CYS  34  -0.921  -2.763   2.898
  205    HB3  CYS  34           3HB      CYS  34   0.425  -1.876   3.604
  206    H    TYR  35           H        TYR  35   3.433  -3.334   2.355
  207    HA   TYR  35           HA       TYR  35   3.173  -5.258   4.570
  208    HB2  TYR  35           2HB      TYR  35   4.971  -5.377   2.164
  209    HB3  TYR  35           3HB      TYR  35   5.464  -6.132   3.672
  210    HD1  TYR  35           HD2      TYR  35   3.822  -7.857   4.702
  211    HD2  TYR  35           HD1      TYR  35   3.626  -6.550   0.653
  212    HE1  TYR  35           HE2      TYR  35   2.539  -9.871   4.119
  213    HE2  TYR  35           HE1      TYR  35   2.345  -8.564   0.064
  214    HH   TYR  35           HH       TYR  35   0.964 -10.614   2.385
  215    H    TYR  36           H        TYR  36   4.987  -5.258   6.074
  216    HA   TYR  36           HA       TYR  36   6.019  -2.560   6.482
  217    HB2  TYR  36           2HB      TYR  36   4.863  -4.012   8.281
  218    HB3  TYR  36           3HB      TYR  36   6.388  -4.885   8.363
  219    HD1  TYR  36           HD1      TYR  36   4.738  -1.650   8.993
  220    HD2  TYR  36           HD2      TYR  36   8.315  -3.915   9.420
  221    HE1  TYR  36           HE1      TYR  36   5.606   0.026  10.569
  222    HE2  TYR  36           HE2      TYR  36   9.192  -2.245  10.996
  223    HH   TYR  36           HH       TYR  36   7.253   0.167  12.387
  224    H    LEU  37           H        LEU  37   8.104  -1.980   6.352
  225    HA   LEU  37           HA       LEU  37  10.019  -3.973   5.381
  226    HB2  LEU  37           2HB      LEU  37   9.963  -0.963   5.273
  227    HB3  LEU  37           3HB      LEU  37  11.400  -1.881   4.868
  228    HG   LEU  37           HG       LEU  37   8.831  -2.491   3.459
  229   HD11  LEU  37          1HD1      LEU  37   9.508  -0.817   1.732
  230   HD12  LEU  37          2HD1      LEU  37  10.664  -0.169   2.895
  231   HD13  LEU  37          3HD1      LEU  37   8.936  -0.117   3.246
  232   HD21  LEU  37          3HD2      LEU  37  11.733  -2.556   2.624
  233   HD22  LEU  37          1HD2      LEU  37  10.362  -3.056   1.633
  234   HD23  LEU  37          2HD2      LEU  37  10.760  -3.948   3.101
  Start of MODEL   19
    1    H1   PCA   1           H        PCA   1  -8.500  11.632   3.770
    2    HA   PCA   1           HA       PCA   1  -6.731  10.773   2.427
    3    HB2  PCA   1           3HB      PCA   1  -4.954  11.024   4.022
    4    HB3  PCA   1           2HB      PCA   1  -5.152   9.241   4.241
    5    HG2  PCA   1           3HG      PCA   1  -5.669  10.486   6.321
    6    HG3  PCA   1           2HG      PCA   1  -5.110  11.952   5.475
    7    H    GLY   2           H        GLY   2  -6.758   8.836   1.325
    8    HA2  GLY   2           2HA      GLY   2  -8.214   6.589   2.581
    9    HA3  GLY   2           3HA      GLY   2  -8.344   7.003   0.878
   10    H    CYS   3           H        CYS   3  -5.897   6.122   3.307
   11    HA   CYS   3           HA       CYS   3  -4.324   4.790   1.224
   12    HB2  CYS   3           2HB      CYS   3  -2.522   4.724   2.887
   13    HB3  CYS   3           3HB      CYS   3  -3.125   6.363   2.671
   14    H    ALA   4           H        ALA   4  -3.458   2.643   1.604
   15    HA   ALA   4           HA       ALA   4  -5.428   0.915   2.881
   16    HB1  ALA   4           3HB      ALA   4  -4.774  -0.732   1.457
   17    HB2  ALA   4           1HB      ALA   4  -3.086  -0.222   1.471
   18    HB3  ALA   4           2HB      ALA   4  -4.267   0.665   0.506
   19    H    PHE   5           H        PHE   5  -5.000  -0.608   4.412
   20    HA   PHE   5           HA       PHE   5  -2.753  -0.096   6.174
   21    HB2  PHE   5           2HB      PHE   5  -4.784  -2.278   6.608
   22    HB3  PHE   5           3HB      PHE   5  -3.926  -1.316   7.805
   23    HD1  PHE   5           HD2      PHE   5  -4.680   0.944   8.356
   24    HD2  PHE   5           HD1      PHE   5  -6.779  -1.485   5.563
   25    HE1  PHE   5           HE2      PHE   5  -6.616   2.457   8.496
   26    HE2  PHE   5           HE1      PHE   5  -8.713   0.023   5.695
   27    HZ   PHE   5           HZ       PHE   5  -8.628   1.994   7.157
   28    H    GLU   6           H        GLU   6  -1.845  -2.260   7.235
   29    HA   GLU   6           HA       GLU   6  -0.338  -3.591   5.201
   30    HB2  GLU   6           2HB      GLU   6   0.400  -2.952   7.583
   31    HB3  GLU   6           3HB      GLU   6  -0.450  -4.396   8.103
   32    HG2  GLU   6           2HG      GLU   6   0.996  -5.752   6.645
   33    HG3  GLU   6           3HG      GLU   6   1.872  -4.294   6.185
   34    H    GLY   7           H        GLY   7  -0.563  -5.566   4.330
   35    HA2  GLY   7           2HA      GLY   7  -1.214  -7.840   4.281
   36    HA3  GLY   7           3HA      GLY   7  -2.391  -7.510   5.537
   37    H    GLU   8           H        GLU   8  -2.566  -5.178   3.077
   38    HA   GLU   8           HA       GLU   8  -4.571  -6.724   1.594
   39    HB2  GLU   8           2HB      GLU   8  -6.113  -4.791   1.576
   40    HB3  GLU   8           3HB      GLU   8  -5.842  -5.421   3.190
   41    HG2  GLU   8           2HG      GLU   8  -4.331  -3.571   3.673
   42    HG3  GLU   8           3HG      GLU   8  -4.554  -2.956   2.035
   43    H    SER   9           H        SER   9  -5.382  -5.229  -0.355
   44    HA   SER   9           HA       SER   9  -2.991  -4.705  -1.923
   45    HB2  SER   9           2HB      SER   9  -5.907  -4.790  -2.730
   46    HB3  SER   9           3HB      SER   9  -4.548  -4.618  -3.841
   47    HG   SER   9           HG       SER   9  -5.258  -6.837  -2.245
   48    H    CYS  10           H        CYS  10  -2.591  -2.822  -3.076
   49    HA   CYS  10           HA       CYS  10  -4.162  -0.428  -2.464
   50    HB2  CYS  10           2HB      CYS  10  -1.938   0.791  -2.060
   51    HB3  CYS  10           3HB      CYS  10  -2.514  -0.260  -0.772
   52    H    ASN  11           H        ASN  11  -4.439   0.820  -4.216
   53    HA   ASN  11           HA       ASN  11  -2.840   0.234  -6.604
   54    HB2  ASN  11           2HB      ASN  11  -5.416   0.089  -6.592
   55    HB3  ASN  11           3HB      ASN  11  -5.383   1.848  -6.582
   56   HD21  ASN  11          1HD2      ASN  11  -4.139  -0.954  -8.357
   57   HD22  ASN  11          2HD2      ASN  11  -4.174  -0.203  -9.912
   58    H    VAL  12           H        VAL  12  -1.329   1.564  -7.218
   59    HA   VAL  12           HA       VAL  12  -0.799   4.013  -5.857
   60    HB   VAL  12           HB       VAL  12   1.131   4.247  -7.396
   61   HG11  VAL  12          1HG1      VAL  12   1.333   2.946  -5.343
   62   HG12  VAL  12          2HG1      VAL  12   2.347   2.278  -6.622
   63   HG13  VAL  12          3HG1      VAL  12   0.822   1.493  -6.205
   64   HG21  VAL  12          3HG2      VAL  12   1.673   2.445  -8.977
   65   HG22  VAL  12          1HG2      VAL  12   0.189   3.283  -9.433
   66   HG23  VAL  12          2HG2      VAL  12   0.106   1.699  -8.661
   67    H    GLN  13           H        GLN  13  -3.171   3.633  -7.989
   68    HA   GLN  13           HA       GLN  13  -2.643   6.083  -9.519
   69    HB2  GLN  13           2HB      GLN  13  -3.440   3.807 -10.536
   70    HB3  GLN  13           3HB      GLN  13  -5.021   4.310  -9.964
   71    HG2  GLN  13           2HG      GLN  13  -4.991   5.018 -12.171
   72    HG3  GLN  13           3HG      GLN  13  -4.583   6.478 -11.273
   73   HE21  GLN  13          1HE2      GLN  13  -3.409   3.988 -13.394
   74   HE22  GLN  13          2HE2      GLN  13  -1.932   4.770 -13.831
   75    H    PHE  14           H        PHE  14  -4.775   4.739  -7.069
   76    HA   PHE  14           HA       PHE  14  -5.869   7.394  -6.568
   77    HB2  PHE  14           2HB      PHE  14  -8.216   6.199  -6.339
   78    HB3  PHE  14           3HB      PHE  14  -7.663   6.805  -7.895
   79    HD1  PHE  14           HD1      PHE  14  -8.253   3.800  -5.878
   80    HD2  PHE  14           HD2      PHE  14  -7.075   5.318  -9.672
   81    HE1  PHE  14           HE1      PHE  14  -8.476   1.548  -6.842
   82    HE2  PHE  14           HE2      PHE  14  -7.300   3.071 -10.646
   83    HZ   PHE  14           HZ       PHE  14  -7.991   1.185  -9.227
   84    H    TYR  15           H        TYR  15  -5.270   4.114  -5.471
   85    HA   TYR  15           HA       TYR  15  -5.936   4.994  -2.735
   86    HB2  TYR  15           2HB      TYR  15  -7.430   3.189  -3.860
   87    HB3  TYR  15           3HB      TYR  15  -6.079   2.107  -3.558
   88    HD1  TYR  15           HD1      TYR  15  -8.535   4.342  -1.896
   89    HD2  TYR  15           HD2      TYR  15  -5.745   1.164  -1.419
   90    HE1  TYR  15           HE1      TYR  15  -9.364   3.965   0.388
   91    HE2  TYR  15           HE2      TYR  15  -6.569   0.779   0.865
   92    HH   TYR  15           HH       TYR  15  -7.733   2.020   2.638
   93    HA   PRO  16           HA       PRO  16  -1.455   3.839  -2.663
   94    HB2  PRO  16           2HB      PRO  16  -0.602   5.888  -1.099
   95    HB3  PRO  16           3HB      PRO  16  -0.840   6.063  -2.846
   96    HG2  PRO  16           2HG      PRO  16  -2.565   6.974  -0.608
   97    HG3  PRO  16           3HG      PRO  16  -2.220   7.755  -2.163
   98    HD2  PRO  16           2HD      PRO  16  -4.519   6.335  -1.600
   99    HD3  PRO  16           3HD      PRO  16  -3.894   6.643  -3.229
  100    H    CYS  17           H        CYS  17   0.049   3.623  -0.638
  101    HA   CYS  17           HA       CYS  17  -1.464   2.203   1.406
  102    HB2  CYS  17           2HB      CYS  17   0.651   1.328   0.222
  103    HB3  CYS  17           3HB      CYS  17   1.538   2.429   1.272
  104    H    CYS  18           H        CYS  18  -0.926   2.469   3.718
  105    HA   CYS  18           HA       CYS  18  -0.925   5.258   4.447
  106    HB2  CYS  18           2HB      CYS  18  -1.051   2.766   6.154
  107    HB3  CYS  18           3HB      CYS  18  -1.258   4.407   6.756
  108    HA   PRO  19           HA       PRO  19   3.563   5.095   5.179
  109    HB2  PRO  19           2HB      PRO  19   4.058   7.730   4.884
  110    HB3  PRO  19           3HB      PRO  19   3.742   6.678   3.491
  111    HG2  PRO  19           2HG      PRO  19   1.959   8.649   4.806
  112    HG3  PRO  19           3HG      PRO  19   2.095   8.210   3.093
  113    HD2  PRO  19           2HD      PRO  19   0.142   7.280   4.856
  114    HD3  PRO  19           3HD      PRO  19   0.553   6.562   3.288
  115    H    GLY  20           H        GLY  20   5.057   6.495   6.655
  116    HA2  GLY  20           2HA      GLY  20   5.323   7.789   8.641
  117    HA3  GLY  20           3HA      GLY  20   3.649   7.452   9.050
  118    H    LEU  21           H        LEU  21   3.714   4.641   8.642
  119    HA   LEU  21           HA       LEU  21   5.060   3.840  11.098
  120    HB2  LEU  21           2HB      LEU  21   3.095   2.394   9.320
  121    HB3  LEU  21           3HB      LEU  21   3.780   1.714  10.782
  122    HG   LEU  21           HG       LEU  21   2.336   4.321  10.978
  123   HD11  LEU  21          1HD1      LEU  21   0.207   3.140  11.256
  124   HD12  LEU  21          2HD1      LEU  21   0.984   1.634  10.769
  125   HD13  LEU  21          3HD1      LEU  21   0.844   2.965   9.620
  126   HD21  LEU  21          3HD2      LEU  21   1.721   3.416  13.168
  127   HD22  LEU  21          1HD2      LEU  21   3.469   3.402  12.937
  128   HD23  LEU  21          2HD2      LEU  21   2.547   1.907  12.779
  129    H    GLY  22           H        GLY  22   5.131   3.124   7.646
  130    HA2  GLY  22           2HA      GLY  22   7.395   2.596   6.765
  131    HA3  GLY  22           3HA      GLY  22   7.528   1.449   8.089
  132    H    LEU  23           H        LEU  23   5.013   2.169   5.672
  133    HA   LEU  23           HA       LEU  23   4.956  -0.698   4.989
  134    HB2  LEU  23           2HB      LEU  23   2.717   1.323   4.808
  135    HB3  LEU  23           3HB      LEU  23   2.604  -0.357   4.330
  136    HG   LEU  23           HG       LEU  23   3.285   0.388   7.163
  137   HD11  LEU  23          1HD1      LEU  23   0.913   0.257   7.712
  138   HD12  LEU  23          2HD1      LEU  23   0.518   0.089   6.002
  139   HD13  LEU  23          3HD1      LEU  23   1.234   1.587   6.599
  140   HD21  LEU  23          3HD2      LEU  23   3.576  -1.954   6.377
  141   HD22  LEU  23          1HD2      LEU  23   1.853  -2.001   6.008
  142   HD23  LEU  23          2HD2      LEU  23   2.393  -1.785   7.673
  143    H    THR  24           H        THR  24   4.723  -1.303   2.826
  144    HA   THR  24           HA       THR  24   4.972   0.794   0.799
  145    HB   THR  24           HB       THR  24   7.277   0.155   1.262
  146    HG1  THR  24           HG1      THR  24   7.082   0.596  -0.857
  147   HG21  THR  24          3HG2      THR  24   6.447  -2.674   0.582
  148   HG22  THR  24          1HG2      THR  24   6.991  -2.091   2.155
  149   HG23  THR  24          2HG2      THR  24   8.110  -2.127   0.792
  150    H    CYS  25           H        CYS  25   4.357   0.186  -1.320
  151    HA   CYS  25           HA       CYS  25   2.473  -2.047  -1.397
  152    HB2  CYS  25           2HB      CYS  25   2.854   0.412  -3.100
  153    HB3  CYS  25           3HB      CYS  25   1.812  -0.910  -3.601
  154    H    ILE  26           H        ILE  26   3.022  -3.900  -2.340
  155    HA   ILE  26           HA       ILE  26   5.032  -3.868  -4.490
  156    HB   ILE  26           HB       ILE  26   4.834  -5.997  -2.335
  157   HG12  ILE  26          2HG1      ILE  26   7.284  -4.339  -2.697
  158   HG13  ILE  26          3HG1      ILE  26   5.902  -3.564  -1.935
  159   HG21  ILE  26          1HG2      ILE  26   5.564  -6.908  -4.490
  160   HG22  ILE  26          2HG2      ILE  26   6.880  -6.920  -3.316
  161   HG23  ILE  26          3HG2      ILE  26   6.838  -5.690  -4.579
  162   HD11  ILE  26          3HD1      ILE  26   5.893  -5.187  -0.174
  163   HD12  ILE  26          1HD1      ILE  26   7.522  -4.536  -0.339
  164   HD13  ILE  26          2HD1      ILE  26   7.142  -6.134  -0.981
  165    HA   PRO  27           HA       PRO  27   5.537  -4.650  -6.361
  166    HB2  PRO  27           2HB      PRO  27   4.156  -4.427  -8.889
  167    HB3  PRO  27           3HB      PRO  27   5.482  -5.517  -8.455
  168    HG2  PRO  27           2HG      PRO  27   2.937  -6.337  -9.003
  169    HG3  PRO  27           3HG      PRO  27   4.092  -7.244  -8.006
  170    HD2  PRO  27           2HD      PRO  27   1.804  -5.529  -7.165
  171    HD3  PRO  27           3HD      PRO  27   2.402  -7.043  -6.455
  172    H    GLY  28           H        GLY  28   2.245  -3.508  -7.135
  173    HA2  GLY  28           2HA      GLY  28   1.402  -1.354  -6.741
  174    HA3  GLY  28           3HA      GLY  28   3.042  -0.772  -6.511
  175    H    ASN  29           H        ASN  29   2.035  -2.676  -9.298
  176    HA   ASN  29           HA       ASN  29   1.912  -0.283 -10.962
  177    HB2  ASN  29           2HB      ASN  29   3.427  -1.426 -12.677
  178    HB3  ASN  29           3HB      ASN  29   4.194  -0.729 -11.259
  179   HD21  ASN  29          1HD2      ASN  29   3.414  -3.639 -12.962
  180   HD22  ASN  29          2HD2      ASN  29   4.394  -4.704 -12.019
  181    HA   PRO  30           HA       PRO  30   0.060   0.306 -10.856
  182    HB2  PRO  30           2HB      PRO  30  -2.624   0.437 -10.924
  183    HB3  PRO  30           3HB      PRO  30  -1.642   0.690 -12.378
  184    HG2  PRO  30           2HG      PRO  30  -3.281  -1.645 -11.599
  185    HG3  PRO  30           3HG      PRO  30  -2.904  -1.012 -13.210
  186    HD2  PRO  30           2HD      PRO  30  -1.658  -3.197 -11.929
  187    HD3  PRO  30           3HD      PRO  30  -1.127  -2.397 -13.419
  188    H    ASP  31           H        ASP  31  -1.457  -2.714  -9.930
  189    HA   ASP  31           HA       ASP  31  -2.169  -1.728  -7.280
  190    HB2  ASP  31           2HB      ASP  31  -3.571  -3.321  -8.850
  191    HB3  ASP  31           3HB      ASP  31  -2.569  -4.568  -8.116
  192    H    GLY  32           H        GLY  32  -1.556  -2.851  -5.362
  193    HA2  GLY  32           2HA      GLY  32   0.678  -4.695  -5.438
  194    HA3  GLY  32           3HA      GLY  32   1.058  -3.107  -4.792
  195    H    THR  33           H        THR  33   1.594  -4.670  -2.965
  196    HA   THR  33           HA       THR  33  -0.762  -4.907  -1.206
  197    HB   THR  33           HB       THR  33   1.565  -6.737  -0.785
  198    HG1  THR  33           HG1      THR  33  -0.411  -7.817  -2.372
  199   HG21  THR  33          3HG2      THR  33  -1.422  -7.072  -0.459
  200   HG22  THR  33          1HG2      THR  33  -0.276  -6.699   0.829
  201   HG23  THR  33          2HG2      THR  33  -0.199  -8.255   0.002
  202    H    CYS  34           H        CYS  34  -0.473  -4.318   0.944
  203    HA   CYS  34           HA       CYS  34   1.813  -2.582   1.427
  204    HB2  CYS  34           2HB      CYS  34  -0.808  -2.993   2.843
  205    HB3  CYS  34           3HB      CYS  34   0.492  -2.053   3.568
  206    H    TYR  35           H        TYR  35   3.572  -3.340   2.280
  207    HA   TYR  35           HA       TYR  35   3.418  -5.346   4.433
  208    HB2  TYR  35           2HB      TYR  35   5.270  -5.204   2.070
  209    HB3  TYR  35           3HB      TYR  35   5.794  -5.984   3.556
  210    HD1  TYR  35           HD1      TYR  35   4.302  -7.895   4.462
  211    HD2  TYR  35           HD2      TYR  35   4.041  -6.403   0.481
  212    HE1  TYR  35           HE1      TYR  35   3.211  -9.981   3.756
  213    HE2  TYR  35           HE2      TYR  35   2.946  -8.487  -0.229
  214    HH   TYR  35           HH       TYR  35   1.725 -10.767   1.963
  215    H    TYR  36           H        TYR  36   5.190  -5.261   5.984
  216    HA   TYR  36           HA       TYR  36   6.001  -2.507   6.515
  217    HB2  TYR  36           2HB      TYR  36   4.890  -4.097   8.226
  218    HB3  TYR  36           3HB      TYR  36   6.473  -4.856   8.342
  219    HD1  TYR  36           HD2      TYR  36   4.584  -1.743   8.959
  220    HD2  TYR  36           HD1      TYR  36   8.260  -3.809   9.537
  221    HE1  TYR  36           HE2      TYR  36   5.268  -0.056  10.613
  222    HE2  TYR  36           HE1      TYR  36   8.952  -2.128  11.191
  223    HH   TYR  36           HH       TYR  36   6.805   0.135  12.523
  224    H    LEU  37           H        LEU  37   8.031  -1.776   6.413
  225    HA   LEU  37           HA       LEU  37  10.121  -3.619   5.508
  226    HB2  LEU  37           2HB      LEU  37   9.847  -0.621   5.380
  227    HB3  LEU  37           3HB      LEU  37  11.350  -1.439   5.004
  228    HG   LEU  37           HG       LEU  37   8.852  -2.223   3.552
  229   HD11  LEU  37          1HD1      LEU  37  10.550   0.201   2.993
  230   HD12  LEU  37          2HD1      LEU  37   8.821   0.159   3.338
  231   HD13  LEU  37          3HD1      LEU  37   9.436  -0.518   1.831
  232   HD21  LEU  37          3HD2      LEU  37  10.448  -2.699   1.758
  233   HD22  LEU  37          1HD2      LEU  37  10.877  -3.556   3.239
  234   HD23  LEU  37          2HD2      LEU  37  11.766  -2.107   2.769
  Start of MODEL   20
    1    H1   PCA   1           H        PCA   1  -8.675  11.611   3.627
    2    HA   PCA   1           HA       PCA   1  -6.631  10.546   3.026
    3    HB2  PCA   1           3HB      PCA   1  -5.634  10.489   5.210
    4    HB3  PCA   1           2HB      PCA   1  -6.118   8.748   5.180
    5    HG2  PCA   1           3HG      PCA   1  -7.277   9.993   6.982
    6    HG3  PCA   1           2HG      PCA   1  -6.252  11.387   6.556
    7    H    GLY   2           H        GLY   2  -6.443   8.665   1.844
    8    HA2  GLY   2           2HA      GLY   2  -8.329   6.465   2.390
    9    HA3  GLY   2           3HA      GLY   2  -8.205   7.143   0.774
   10    H    CYS   3           H        CYS   3  -5.853   6.145   3.260
   11    HA   CYS   3           HA       CYS   3  -4.317   4.751   1.189
   12    HB2  CYS   3           2HB      CYS   3  -2.479   4.748   2.817
   13    HB3  CYS   3           3HB      CYS   3  -3.091   6.377   2.552
   14    H    ALA   4           H        ALA   4  -3.505   2.613   1.553
   15    HA   ALA   4           HA       ALA   4  -5.397   0.940   3.015
   16    HB1  ALA   4           3HB      ALA   4  -4.858  -0.752   1.587
   17    HB2  ALA   4           1HB      ALA   4  -3.172  -0.251   1.455
   18    HB3  ALA   4           2HB      ALA   4  -4.423   0.619   0.566
   19    H    PHE   5           H        PHE   5  -4.781  -0.677   4.483
   20    HA   PHE   5           HA       PHE   5  -2.321  -0.070   5.944
   21    HB2  PHE   5           2HB      PHE   5  -3.375  -1.516   7.756
   22    HB3  PHE   5           3HB      PHE   5  -4.181   0.003   7.409
   23    HD1  PHE   5           HD1      PHE   5  -4.350  -3.656   6.814
   24    HD2  PHE   5           HD2      PHE   5  -6.444   0.051   6.812
   25    HE1  PHE   5           HE1      PHE   5  -6.476  -4.861   6.528
   26    HE2  PHE   5           HE2      PHE   5  -8.572  -1.148   6.524
   27    HZ   PHE   5           HZ       PHE   5  -8.590  -3.606   6.382
   28    H    GLU   6           H        GLU   6  -1.406  -2.128   7.109
   29    HA   GLU   6           HA       GLU   6  -0.189  -3.748   5.160
   30    HB2  GLU   6           2HB      GLU   6   0.548  -3.099   7.578
   31    HB3  GLU   6           3HB      GLU   6  -0.330  -4.545   8.048
   32    HG2  GLU   6           2HG      GLU   6   1.095  -5.860   6.507
   33    HG3  GLU   6           3HG      GLU   6   2.021  -4.399   6.172
   34    H    GLY   7           H        GLY   7  -0.697  -5.635   4.258
   35    HA2  GLY   7           2HA      GLY   7  -1.499  -7.885   4.349
   36    HA3  GLY   7           3HA      GLY   7  -2.646  -7.399   5.579
   37    H    GLU   8           H        GLU   8  -2.630  -5.170   3.009
   38    HA   GLU   8           HA       GLU   8  -4.713  -6.643   1.562
   39    HB2  GLU   8           2HB      GLU   8  -6.206  -4.710   1.513
   40    HB3  GLU   8           3HB      GLU   8  -5.889  -5.207   3.165
   41    HG2  GLU   8           2HG      GLU   8  -4.564  -3.328   3.597
   42    HG3  GLU   8           3HG      GLU   8  -4.357  -2.972   1.883
   43    H    SER   9           H        SER   9  -5.442  -5.198  -0.427
   44    HA   SER   9           HA       SER   9  -3.014  -4.714  -1.960
   45    HB2  SER   9           2HB      SER   9  -4.598  -4.644  -3.910
   46    HB3  SER   9           3HB      SER   9  -4.624  -6.161  -3.013
   47    HG   SER   9           HG       SER   9  -6.408  -4.532  -1.917
   48    H    CYS  10           H        CYS  10  -2.516  -2.827  -3.003
   49    HA   CYS  10           HA       CYS  10  -4.178  -0.460  -2.483
   50    HB2  CYS  10           2HB      CYS  10  -1.956   0.784  -2.105
   51    HB3  CYS  10           3HB      CYS  10  -2.541  -0.242  -0.801
   52    H    ASN  11           H        ASN  11  -4.447   0.822  -4.203
   53    HA   ASN  11           HA       ASN  11  -2.920   0.229  -6.636
   54    HB2  ASN  11           2HB      ASN  11  -5.664   1.244  -6.103
   55    HB3  ASN  11           3HB      ASN  11  -4.857   1.838  -7.551
   56   HD21  ASN  11          1HD2      ASN  11  -4.184   0.323  -9.130
   57   HD22  ASN  11          2HD2      ASN  11  -4.971  -1.209  -9.271
   58    H    VAL  12           H        VAL  12  -1.335   1.519  -7.205
   59    HA   VAL  12           HA       VAL  12  -0.803   3.995  -5.879
   60    HB   VAL  12           HB       VAL  12   1.145   4.193  -7.415
   61   HG11  VAL  12          1HG1      VAL  12   2.364   2.265  -6.552
   62   HG12  VAL  12          2HG1      VAL  12   0.841   1.490  -6.116
   63   HG13  VAL  12          3HG1      VAL  12   1.334   2.979  -5.310
   64   HG21  VAL  12          3HG2      VAL  12   1.713   2.348  -8.926
   65   HG22  VAL  12          1HG2      VAL  12   0.215   3.139  -9.417
   66   HG23  VAL  12          2HG2      VAL  12   0.160   1.585  -8.584
   67    H    GLN  13           H        GLN  13  -3.173   3.602  -7.932
   68    HA   GLN  13           HA       GLN  13  -2.651   5.937  -9.628
   69    HB2  GLN  13           2HB      GLN  13  -3.646   3.547 -10.326
   70    HB3  GLN  13           3HB      GLN  13  -5.148   4.338  -9.884
   71    HG2  GLN  13           2HG      GLN  13  -3.215   5.544 -11.841
   72    HG3  GLN  13           3HG      GLN  13  -4.469   4.406 -12.325
   73   HE21  GLN  13          1HE2      GLN  13  -3.766   7.618 -11.268
   74   HE22  GLN  13          2HE2      GLN  13  -5.344   8.275 -11.516
   75    H    PHE  14           H        PHE  14  -4.793   4.727  -7.101
   76    HA   PHE  14           HA       PHE  14  -5.761   7.437  -6.608
   77    HB2  PHE  14           2HB      PHE  14  -8.145   6.298  -6.331
   78    HB3  PHE  14           3HB      PHE  14  -7.597   6.907  -7.889
   79    HD1  PHE  14           HD2      PHE  14  -8.179   3.881  -5.888
   80    HD2  PHE  14           HD1      PHE  14  -7.110   5.442  -9.696
   81    HE1  PHE  14           HE2      PHE  14  -8.450   1.644  -6.874
   82    HE2  PHE  14           HE1      PHE  14  -7.374   3.208 -10.691
   83    HZ   PHE  14           HZ       PHE  14  -8.033   1.309  -9.276
   84    H    TYR  15           H        TYR  15  -5.253   4.153  -5.479
   85    HA   TYR  15           HA       TYR  15  -5.862   5.081  -2.745
   86    HB2  TYR  15           2HB      TYR  15  -7.399   3.281  -3.870
   87    HB3  TYR  15           3HB      TYR  15  -6.085   2.182  -3.474
   88    HD1  TYR  15           HD1      TYR  15  -8.639   4.442  -2.063
   89    HD2  TYR  15           HD2      TYR  15  -5.718   1.465  -1.222
   90    HE1  TYR  15           HE1      TYR  15  -9.539   4.212   0.213
   91    HE2  TYR  15           HE2      TYR  15  -6.612   1.227   1.057
   92    HH   TYR  15           HH       TYR  15  -7.905   2.550   2.676
   93    HA   PRO  16           HA       PRO  16  -1.422   3.783  -2.693
   94    HB2  PRO  16           2HB      PRO  16  -0.487   5.828  -1.173
   95    HB3  PRO  16           3HB      PRO  16  -0.746   5.988  -2.919
   96    HG2  PRO  16           2HG      PRO  16  -2.411   6.977  -0.668
   97    HG3  PRO  16           3HG      PRO  16  -2.064   7.729  -2.237
   98    HD2  PRO  16           2HD      PRO  16  -4.396   6.384  -1.627
   99    HD3  PRO  16           3HD      PRO  16  -3.785   6.657  -3.267
  100    H    CYS  17           H        CYS  17   0.102   3.594  -0.662
  101    HA   CYS  17           HA       CYS  17  -1.420   2.226   1.409
  102    HB2  CYS  17           2HB      CYS  17   0.697   1.325   0.228
  103    HB3  CYS  17           3HB      CYS  17   1.582   2.414   1.291
  104    H    CYS  18           H        CYS  18  -0.863   2.528   3.713
  105    HA   CYS  18           HA       CYS  18  -0.855   5.328   4.391
  106    HB2  CYS  18           2HB      CYS  18  -0.999   2.866   6.140
  107    HB3  CYS  18           3HB      CYS  18  -1.189   4.518   6.716
  108    HA   PRO  19           HA       PRO  19   3.631   5.154   5.140
  109    HB2  PRO  19           2HB      PRO  19   4.138   7.784   4.834
  110    HB3  PRO  19           3HB      PRO  19   3.821   6.729   3.445
  111    HG2  PRO  19           2HG      PRO  19   2.040   8.706   4.754
  112    HG3  PRO  19           3HG      PRO  19   2.185   8.273   3.040
  113    HD2  PRO  19           2HD      PRO  19   0.214   7.345   4.777
  114    HD3  PRO  19           3HD      PRO  19   0.646   6.616   3.220
  115    H    GLY  20           H        GLY  20   5.123   6.534   6.625
  116    HA2  GLY  20           2HA      GLY  20   5.377   7.844   8.607
  117    HA3  GLY  20           3HA      GLY  20   3.702   7.507   9.008
  118    H    LEU  21           H        LEU  21   3.754   4.699   8.627
  119    HA   LEU  21           HA       LEU  21   5.097   3.908  11.087
  120    HB2  LEU  21           2HB      LEU  21   3.135   2.460   9.307
  121    HB3  LEU  21           3HB      LEU  21   3.822   1.774  10.765
  122    HG   LEU  21           HG       LEU  21   2.384   4.382  10.979
  123   HD11  LEU  21          1HD1      LEU  21   1.020   1.702  10.755
  124   HD12  LEU  21          2HD1      LEU  21   0.889   3.037   9.610
  125   HD13  LEU  21          3HD1      LEU  21   0.251   3.211  11.245
  126   HD21  LEU  21          3HD2      LEU  21   2.585   1.953  12.761
  127   HD22  LEU  21          1HD2      LEU  21   1.768   3.464  13.162
  128   HD23  LEU  21          2HD2      LEU  21   3.516   3.441  12.929
  129    H    GLY  22           H        GLY  22   5.159   3.135   7.640
  130    HA2  GLY  22           2HA      GLY  22   7.437   2.618   6.772
  131    HA3  GLY  22           3HA      GLY  22   7.568   1.483   8.107
  132    H    LEU  23           H        LEU  23   5.026   2.162   5.705
  133    HA   LEU  23           HA       LEU  23   5.027  -0.703   5.012
  134    HB2  LEU  23           2HB      LEU  23   2.740   1.270   4.904
  135    HB3  LEU  23           3HB      LEU  23   2.654  -0.393   4.365
  136    HG   LEU  23           HG       LEU  23   3.357   0.263   7.215
  137   HD11  LEU  23          1HD1      LEU  23   0.584  -0.065   6.076
  138   HD12  LEU  23          2HD1      LEU  23   1.269   1.428   6.718
  139   HD13  LEU  23          3HD1      LEU  23   0.996   0.052   7.787
  140   HD21  LEU  23          3HD2      LEU  23   3.691  -2.044   6.331
  141   HD22  LEU  23          1HD2      LEU  23   1.961  -2.118   6.000
  142   HD23  LEU  23          2HD2      LEU  23   2.536  -1.948   7.659
  143    H    THR  24           H        THR  24   4.712  -1.298   2.840
  144    HA   THR  24           HA       THR  24   4.931   0.812   0.826
  145    HB   THR  24           HB       THR  24   7.247   0.177   1.263
  146    HG1  THR  24           HG1      THR  24   6.172  -0.717  -1.211
  147   HG21  THR  24          3HG2      THR  24   8.089  -2.086   0.758
  148   HG22  THR  24          1HG2      THR  24   6.432  -2.641   0.520
  149   HG23  THR  24          2HG2      THR  24   6.959  -2.095   2.111
  150    H    CYS  25           H        CYS  25   4.351   0.175  -1.313
  151    HA   CYS  25           HA       CYS  25   2.447  -2.044  -1.372
  152    HB2  CYS  25           2HB      CYS  25   2.844   0.402  -3.090
  153    HB3  CYS  25           3HB      CYS  25   1.803  -0.921  -3.591
  154    H    ILE  26           H        ILE  26   2.971  -3.904  -2.318
  155    HA   ILE  26           HA       ILE  26   5.008  -3.899  -4.443
  156    HB   ILE  26           HB       ILE  26   4.747  -6.029  -2.297
  157   HG12  ILE  26          2HG1      ILE  26   7.228  -4.409  -2.621
  158   HG13  ILE  26          3HG1      ILE  26   5.848  -3.615  -1.873
  159   HG21  ILE  26          1HG2      ILE  26   5.492  -6.946  -4.444
  160   HG22  ILE  26          2HG2      ILE  26   6.791  -6.983  -3.252
  161   HG23  ILE  26          3HG2      ILE  26   6.786  -5.749  -4.513
  162   HD11  ILE  26          3HD1      ILE  26   7.422  -4.612  -0.254
  163   HD12  ILE  26          1HD1      ILE  26   7.049  -6.203  -0.916
  164   HD13  ILE  26          2HD1      ILE  26   5.787  -5.260  -0.126
  165    HA   PRO  27           HA       PRO  27   5.531  -4.687  -6.306
  166    HB2  PRO  27           2HB      PRO  27   4.200  -4.435  -8.855
  167    HB3  PRO  27           3HB      PRO  27   5.492  -5.557  -8.399
  168    HG2  PRO  27           2HG      PRO  27   2.933  -6.310  -8.993
  169    HG3  PRO  27           3HG      PRO  27   4.056  -7.253  -7.994
  170    HD2  PRO  27           2HD      PRO  27   1.791  -5.508  -7.161
  171    HD3  PRO  27           3HD      PRO  27   2.363  -7.032  -6.453
  172    H    GLY  28           H        GLY  28   2.268  -3.498  -7.098
  173    HA2  GLY  28           2HA      GLY  28   1.446  -1.336  -6.726
  174    HA3  GLY  28           3HA      GLY  28   3.089  -0.774  -6.471
  175    H    ASN  29           H        ASN  29   2.024  -2.646  -9.272
  176    HA   ASN  29           HA       ASN  29   1.967  -0.255 -10.934
  177    HB2  ASN  29           2HB      ASN  29   3.505  -1.389 -12.631
  178    HB3  ASN  29           3HB      ASN  29   4.253  -0.707 -11.196
  179   HD21  ASN  29          1HD2      ASN  29   3.502  -3.594 -12.944
  180   HD22  ASN  29          2HD2      ASN  29   4.458  -4.673 -11.992
  181    HA   PRO  30           HA       PRO  30   0.106   0.301 -10.789
  182    HB2  PRO  30           2HB      PRO  30  -2.590   0.412 -10.903
  183    HB3  PRO  30           3HB      PRO  30  -1.569   0.756 -12.310
  184    HG2  PRO  30           2HG      PRO  30  -3.256  -1.590 -11.753
  185    HG3  PRO  30           3HG      PRO  30  -2.721  -0.921 -13.303
  186    HD2  PRO  30           2HD      PRO  30  -1.625  -3.154 -11.911
  187    HD3  PRO  30           3HD      PRO  30  -1.030  -2.414 -13.408
  188    H    ASP  31           H        ASP  31  -1.440  -2.736  -9.968
  189    HA   ASP  31           HA       ASP  31  -2.249  -1.837  -7.323
  190    HB2  ASP  31           2HB      ASP  31  -3.486  -3.510  -8.952
  191    HB3  ASP  31           3HB      ASP  31  -2.421  -4.690  -8.197
  192    H    GLY  32           H        GLY  32  -1.600  -2.894  -5.394
  193    HA2  GLY  32           2HA      GLY  32   0.736  -4.613  -5.411
  194    HA3  GLY  32           3HA      GLY  32   1.007  -3.005  -4.759
  195    H    THR  33           H        THR  33   1.585  -4.607  -2.941
  196    HA   THR  33           HA       THR  33  -0.789  -4.903  -1.214
  197    HB   THR  33           HB       THR  33   1.562  -6.700  -0.785
  198    HG1  THR  33           HG1      THR  33   0.165  -6.661  -3.088
  199   HG21  THR  33          3HG2      THR  33  -0.188  -8.256  -0.036
  200   HG22  THR  33          1HG2      THR  33  -1.423  -7.083  -0.493
  201   HG23  THR  33          2HG2      THR  33  -0.294  -6.712   0.811
  202    H    CYS  34           H        CYS  34  -0.554  -4.290   0.926
  203    HA   CYS  34           HA       CYS  34   1.713  -2.547   1.463
  204    HB2  CYS  34           2HB      CYS  34  -0.943  -2.974   2.801
  205    HB3  CYS  34           3HB      CYS  34   0.337  -2.066   3.598
  206    H    TYR  35           H        TYR  35   3.470  -3.338   2.300
  207    HA   TYR  35           HA       TYR  35   3.297  -5.323   4.472
  208    HB2  TYR  35           2HB      TYR  35   5.131  -5.244   2.093
  209    HB3  TYR  35           3HB      TYR  35   5.654  -6.015   3.583
  210    HD1  TYR  35           HD1      TYR  35   4.083  -7.861   4.540
  211    HD2  TYR  35           HD2      TYR  35   3.920  -6.469   0.518
  212    HE1  TYR  35           HE1      TYR  35   2.948  -9.936   3.872
  213    HE2  TYR  35           HE2      TYR  35   2.781  -8.541  -0.154
  214    HH   TYR  35           HH       TYR  35   1.468 -10.729   2.078
  215    H    TYR  36           H        TYR  36   5.139  -5.281   5.974
  216    HA   TYR  36           HA       TYR  36   5.978  -2.534   6.505
  217    HB2  TYR  36           2HB      TYR  36   4.907  -4.181   8.220
  218    HB3  TYR  36           3HB      TYR  36   6.524  -4.868   8.319
  219    HD1  TYR  36           HD1      TYR  36   4.462  -1.912   9.034
  220    HD2  TYR  36           HD2      TYR  36   8.320  -3.668   9.401
  221    HE1  TYR  36           HE1      TYR  36   5.085  -0.188  10.673
  222    HE2  TYR  36           HE2      TYR  36   8.953  -1.949  11.041
  223    HH   TYR  36           HH       TYR  36   8.286   0.331  11.669
  224    H    LEU  37           H        LEU  37   8.029  -1.825   6.421
  225    HA   LEU  37           HA       LEU  37  10.071  -3.675   5.422
  226    HB2  LEU  37           2HB      LEU  37   9.837  -0.671   5.366
  227    HB3  LEU  37           3HB      LEU  37  11.326  -1.497   4.955
  228    HG   LEU  37           HG       LEU  37   8.804  -2.223   3.516
  229   HD11  LEU  37          1HD1      LEU  37   8.787   0.158   3.342
  230   HD12  LEU  37          2HD1      LEU  37   9.406  -0.487   1.821
  231   HD13  LEU  37          3HD1      LEU  37  10.517   0.200   3.004
  232   HD21  LEU  37          3HD2      LEU  37  10.373  -2.679   1.694
  233   HD22  LEU  37          1HD2      LEU  37  10.812  -3.569   3.152
  234   HD23  LEU  37          2HD2      LEU  37  11.710  -2.120   2.700