*HEADER    TOXIN                                   09-JUN-15   2N3P              
*TITLE     SOLUTION NMR STRUCTURE OF ASTEROPSIN G FROM MARINE SPONGE ASTEROPUS   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ASTEROPSIN_G;                                              
*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    M.SU, J.H.JUNG                                                        
*REVDAT   1   08-JUN-16 2N3P    0                                                


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assign (resid   22 and name HB2  ) (resid   23 and name HD1  )   5.22   5.22   0.00
assign (resid    6 and name HA   ) (resid    8 and name HB2  )   5.50   5.50   0.00
assign (resid   19 and name HB1  ) (resid   30 and name HB2  )   4.60   4.60   0.00
assign (resid   22 and name HB2  ) (resid   29 and name HG1* )   4.48   4.48   0.00
assign (resid   19 and name HD2* ) (resid   30 and name HB2  )   4.89   4.89   0.00
assign (resid   22 and name HB2  ) (resid   29 and name HG2* )   4.84   4.84   0.00
assign (resid   20 and name HG2* ) (resid   21 and name HB1  )   4.73   4.73   0.00
assign (resid   20 and name HG2* ) (resid   22 and name HB2  )   5.08   5.08   0.00
assign (resid    4 and name HB*  ) (resid    5 and name HG2  )   5.50   5.50   0.00
assign (resid    4 and name HB*  ) (resid   15 and name HB2  )   5.50   5.50   0.00
assign (resid    4 and name HB*  ) (resid   15 and name HB1  )   5.50   5.50   0.00
assign (resid   22 and name HB1  ) (resid   29 and name HG1* )   5.23   5.23   0.00
assign (resid   15 and name HB1  ) (resid   19 and name HG   )   3.88   3.88   0.00
assign (resid   15 and name HB1  ) (resid   19 and name HD2* )   4.32   4.32   0.00
assign (resid   20 and name HG2* ) (resid   21 and name HB2  )   3.60   3.60   0.00
assign (resid   11 and name HG*  ) (resid   12 and name HG2* )   4.73   4.73   0.00
assign (resid    6 and name HA   ) (resid   31 and name HN   )   5.50   5.50   0.00
assign (resid   17 and name HN   ) (resid   19 and name HD1* )   4.84   4.84   0.00
assign (resid   19 and name HB1  ) (resid   31 and name HN   )   2.86   2.86   0.00
assign (resid   12 and name HN   ) (resid   13 and name HA   )   4.81   4.81   0.00
assign (resid   18 and name HA2  ) (resid   19 and name HN   )   3.00   3.00   0.00
assign (resid   15 and name HB2  ) (resid   19 and name HB2  )   3.18   3.18   0.00
assign (resid    5 and name HG2  ) (resid    6 and name HN   )   3.69   3.69   0.00
assign (resid   15 and name HB2  ) (resid   16 and name HN   )   3.24   3.24   0.00
assign (resid   10 and name HN   ) (resid   29 and name HN   )   5.50   5.50   0.00
assign (resid   24 and name HN   ) (resid   25 and name HD*  )   5.28   5.28   0.00
assign (resid    3 and name HN   ) (resid   13 and name HE*  )   5.50   5.50   0.00
assign (resid    9 and name HA   ) (resid   11 and name HN   )   4.02   4.02   0.00
assign (resid    2 and name HN   ) (resid    3 and name HA   )   4.95   4.95   0.00
assign (resid   10 and name HN   ) (resid   28 and name HD2  )   5.50   5.50   0.00
assign (resid   23 and name HD1  ) (resid   24 and name HN   )   5.29   5.29   0.00
assign (resid    1 and name HA   ) (resid    3 and name HN   )   5.50   5.50   0.00
assign (resid    9 and name HB1  ) (resid   11 and name HN   )   5.01   5.01   0.00
assign (resid   12 and name HN   ) (resid   13 and name HB1  )   5.50   5.50   0.00
assign (resid    3 and name HN   ) (resid   13 and name HB2  )   5.50   5.50   0.00
assign (resid   20 and name HN   ) (resid   30 and name HB1  )   5.12   5.12   0.00
assign (resid   10 and name HN   ) (resid   11 and name HG*  )   5.46   5.46   0.00
assign (resid   10 and name HN   ) (resid   29 and name HG1* )   5.32   5.32   0.00
assign (resid    4 and name HB*  ) (resid   10 and name HN   )   4.63   4.63   0.00
assign (resid    8 and name HN   ) (resid   29 and name HG1* )   5.50   5.50   0.00
assign (resid   24 and name HN   ) (resid   29 and name HB   )   5.50   5.50   0.00
assign (resid   24 and name HN   ) (resid   29 and name HD1* )   5.50   5.50   0.00
assign (resid    3 and name HA   ) (resid   13 and name HE*  )   5.50   5.50   0.00
assign (resid   22 and name HE*  ) (resid   30 and name HA   )   5.50   5.50   0.00
assign (resid    3 and name HA   ) (resid   13 and name HN   )   5.50   5.50   0.00
assign (resid   24 and name HB   ) (resid   25 and name HD*  )   5.50   5.50   0.00
assign (resid   15 and name HA   ) (resid   19 and name HN   )   4.89   4.89   0.00
assign (resid   25 and name HA   ) (resid   25 and name HE*  )   5.09   5.09   0.00
assign (resid   22 and name HE*  ) (resid   23 and name HD2  )   4.67   4.67   0.00
assign (resid   17 and name HA   ) (resid   19 and name HN   )   5.46   5.46   0.00
assign (resid   22 and name HE*  ) (resid   23 and name HD1  )   5.50   5.50   0.00
assign (resid   19 and name HN   ) (resid   30 and name HB1  )   5.50   5.50   0.00
assign (resid   16 and name HB2  ) (resid   19 and name HN   )   5.47   5.47   0.00
assign (resid   13 and name HD*  ) (resid   14 and name HG*  )   3.66   3.66   0.00
assign (resid   22 and name HD*  ) (resid   29 and name HG1* )   5.50   5.50   0.00
assign (resid   22 and name HD*  ) (resid   29 and name HB   )   5.50   5.50   0.00
assign (resid   19 and name HN   ) (resid   20 and name HG1* )   5.50   5.50   0.00
assign (resid   19 and name HN   ) (resid   32 and name HG1* )   5.50   5.50   0.00
assign (resid   19 and name HN   ) (resid   32 and name HG2* )   5.50   5.50   0.00
assign (resid   10 and name HA   ) (resid   13 and name HA   )   5.16   5.16   0.00
assign (resid   19 and name HA   ) (resid   30 and name HA   )   5.50   5.50   0.00
assign (resid   20 and name HA   ) (resid   30 and name HA   )   5.22   5.22   0.00
assign (resid    5 and name HA   ) (resid   15 and name HA   )   4.68   4.68   0.00
assign (resid    9 and name HB2  ) (resid   10 and name HA   )   5.50   5.50   0.00
assign (resid    6 and name HA   ) (resid   30 and name HA   )   5.50   5.50   0.00
assign (resid   22 and name HB2  ) (resid   30 and name HA   )   5.10   5.10   0.00
assign (resid   15 and name HB1  ) (resid   30 and name HA   )   4.81   4.81   0.00
assign (resid   21 and name HB2  ) (resid   30 and name HA   )   5.37   5.37   0.00
assign (resid   21 and name HA   ) (resid   30 and name HB1  )   5.24   5.24   0.00
assign (resid   10 and name HA   ) (resid   11 and name HG*  )   5.50   5.50   0.00
assign (resid    8 and name HB1  ) (resid   10 and name HA   )   5.50   5.50   0.00
assign (resid   28 and name HB2  ) (resid   30 and name HA   )   5.50   5.50   0.00
assign (resid    9 and name HA   ) (resid   27 and name HG*  )   4.42   4.42   0.00
assign (resid   29 and name HB   ) (resid   30 and name HA   )   5.00   5.00   0.00
assign (resid   19 and name HB2  ) (resid   30 and name HA   )   4.45   4.45   0.00
assign (resid    8 and name HB1  ) (resid    9 and name HA   )   5.10   5.10   0.00
assign (resid   21 and name HA   ) (resid   24 and name HG2* )   5.50   5.50   0.00
assign (resid    4 and name HB*  ) (resid    9 and name HA   )   4.76   4.76   0.00
assign (resid   26 and name HG*  ) (resid   27 and name HA   )   5.50   5.50   0.00
assign (resid   20 and name HG2* ) (resid   30 and name HA   )   5.27   5.27   0.00
assign (resid   31 and name HA1  ) (resid   32 and name HA   )   5.28   5.28   0.00
assign (resid    6 and name HA   ) (resid   31 and name HA1  )   5.12   5.12   0.00
assign (resid    3 and name HB2  ) (resid    4 and name HA   )   5.50   5.50   0.00
assign (resid    4 and name HA   ) (resid   13 and name HB1  )   5.50   5.50   0.00
assign (resid   20 and name HB   ) (resid   31 and name HA2  )   5.50   5.50   0.00
assign (resid   24 and name HG2* ) (resid   25 and name HA   )   5.50   5.50   0.00
assign (resid   12 and name HG1* ) (resid   13 and name HA   )   4.08   4.08   0.00
assign (resid   20 and name HD1* ) (resid   32 and name HA   )   5.33   5.33   0.00
assign (resid   25 and name HB1  ) (resid   26 and name HB1  )   5.39   5.39   0.00
assign (resid   25 and name HB1  ) (resid   26 and name HB2  )   5.50   5.50   0.00
assign (resid   19 and name HB1  ) (resid   30 and name HB1  )   4.30   4.30   0.00
assign (resid    2 and name HN   ) (resid    2 and name HE1  )   5.50   5.50   0.00
assign (resid    2 and name HA   ) (resid    2 and name HE1  )   5.50   5.50   0.00
assign (resid   17 and name HN   ) (resid   19 and name HN   )   5.50   5.50   0.00
assign (resid   15 and name HA   ) (resid   17 and name HN   )   5.29   5.29   0.00
assign (resid   31 and name HN   ) (resid   32 and name HA   )   5.50   5.50   0.00
assign (resid   15 and name HB1  ) (resid   31 and name HN   )   5.50   5.50   0.00
assign (resid   22 and name HB2  ) (resid   31 and name HN   )   5.17   5.17   0.00
assign (resid   29 and name HB   ) (resid   31 and name HN   )   5.29   5.29   0.00
assign (resid   16 and name HN   ) (resid   19 and name HN   )   5.50   5.50   0.00
assign (resid    4 and name HN   ) (resid   10 and name HA   )   5.50   5.50   0.00
assign (resid    8 and name HN   ) (resid   29 and name HA   )   4.66   4.66   0.00
assign (resid   21 and name HN   ) (resid   31 and name HN   )   5.50   5.50   0.00
assign (resid   20 and name HA   ) (resid   31 and name HN   )   5.20   5.20   0.00
assign (resid   14 and name HD2  ) (resid   15 and name HN   )   5.50   5.50   0.00
assign (resid   14 and name HD1  ) (resid   15 and name HN   )   5.50   5.50   0.00
assign (resid    4 and name HN   ) (resid   14 and name HB*  )   5.00   5.00   0.00
assign (resid    4 and name HN   ) (resid   14 and name HG*  )   4.23   4.23   0.00
assign (resid   16 and name HN   ) (resid   19 and name HB1  )   5.50   5.50   0.00
assign (resid    2 and name HA   ) (resid    2 and name HE3  )   4.70   4.70   0.00
assign (resid    2 and name HB1  ) (resid   13 and name HD*  )   4.44   4.44   0.00
assign (resid    6 and name HA   ) (resid   31 and name HA2  )   5.31   5.31   0.00
assign (resid    5 and name HA   ) (resid    6 and name HA   )   4.54   4.54   0.00
assign (resid   16 and name HB2  ) (resid   17 and name HA   )   4.62   4.62   0.00
assign (resid    9 and name HB1  ) (resid   29 and name HG1* )   5.50   5.50   0.00
assign (resid    4 and name HB*  ) (resid    9 and name HB1  )   5.50   5.50   0.00
assign (resid    5 and name HG1  ) (resid    6 and name HA   )   4.82   4.82   0.00
assign (resid   23 and name HD1  ) (resid   24 and name HG2* )   4.90   4.90   0.00
assign (resid   23 and name HD2  ) (resid   24 and name HG2* )   4.49   4.49   0.00
assign (resid    4 and name HB*  ) (resid    9 and name HB2  )   5.50   5.50   0.00
assign (resid    4 and name HB*  ) (resid   14 and name HD1  )   5.50   5.50   0.00
assign (resid    9 and name HB2  ) (resid   29 and name HD1* )   3.98   3.98   0.00
assign (resid    3 and name HB2  ) (resid   14 and name HB*  )   4.44   4.44   0.00
assign (resid   22 and name HB1  ) (resid   23 and name HG2  )   4.62   4.62   0.00
assign (resid   29 and name HG2* ) (resid   30 and name HB2  )   4.31   4.31   0.00
assign (resid    1 and name HB*  ) (resid    2 and name HN   )   4.32   4.32   0.00
assign (resid    1 and name HB*  ) (resid    3 and name HN   )   5.29   5.29   0.00
assign (resid    2 and name HN   ) (resid    2 and name HB*  )   3.31   3.31   0.00
assign (resid    2 and name HB*  ) (resid    3 and name HN   )   3.61   3.61   0.00
assign (resid    2 and name HB*  ) (resid    3 and name HA   )   4.96   4.96   0.00
assign (resid    2 and name HB*  ) (resid   13 and name HE*  )   3.44   3.44   0.00
assign (resid    4 and name HB*  ) (resid   10 and name HB*  )   4.37   4.37   0.00
assign (resid    6 and name HN   ) (resid    6 and name HG*  )   2.70   2.70   0.00
assign (resid    6 and name HA   ) (resid    7 and name HA*  )   4.44   4.44   0.00
assign (resid    6 and name HG*  ) (resid    7 and name HN   )   4.59   4.59   0.00
assign (resid    6 and name HG*  ) (resid   19 and name HD1* )   4.56   4.56   0.00
assign (resid    6 and name HG*  ) (resid   19 and name HD2* )   4.16   4.16   0.00
assign (resid    7 and name HA*  ) (resid   29 and name HG2* )   4.14   4.14   0.00
assign (resid    7 and name HA*  ) (resid   29 and name HD1* )   4.50   4.50   0.00
assign (resid    9 and name HA   ) (resid   27 and name HB*  )   5.34   5.34   0.00
assign (resid    9 and name HB2  ) (resid   27 and name HB*  )   3.35   3.35   0.00
assign (resid    9 and name HB1  ) (resid   27 and name HB*  )   4.46   4.46   0.00
assign (resid   10 and name HB*  ) (resid   14 and name HA   )   5.34   5.34   0.00
assign (resid   10 and name HB*  ) (resid   15 and name HN   )   5.34   5.34   0.00
assign (resid   17 and name HN   ) (resid   17 and name HB*  )   3.49   3.49   0.00
assign (resid   17 and name HB*  ) (resid   19 and name HN   )   4.87   4.87   0.00
assign (resid   17 and name HB*  ) (resid   19 and name HG   )   5.09   5.09   0.00
assign (resid   17 and name HB*  ) (resid   19 and name HD2* )   4.56   4.56   0.00
assign (resid   19 and name HD2* ) (resid   32 and name HG*  )   3.91   3.91   0.00
assign (resid   27 and name HN   ) (resid   27 and name HB*  )   3.62   3.62   0.00
assign (resid   31 and name HA2  ) (resid   32 and name HG*  )   3.69   3.69   0.00
assign (resid   31 and name HA1  ) (resid   32 and name HG*  )   4.34   4.34   0.00
assign (resid   32 and name HN   ) (resid   32 and name HG*  )   3.88   3.88   0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PCA   1           HN       PCA   1 -15.145  -2.936  -0.156
    2    HA   PCA   1           HA       PCA   1 -14.351  -1.151   1.506
    3    HB2  PCA   1           1HB      PCA   1 -11.639  -2.179   1.616
    4    HB3  PCA   1           2HB      PCA   1 -12.742  -1.692   2.751
    5    HG2  PCA   1           1HG      PCA   1 -12.209  -4.481   2.152
    6    HG3  PCA   1           2HG      PCA   1 -13.275  -3.740   3.182
    7    H    TRP   2           H        TRP   2 -13.222   0.697   0.866
    8    HA   TRP   2           HA       TRP   2 -12.436   0.740  -1.955
    9    HB2  TRP   2           2HB      TRP   2 -13.225   2.928  -0.032
   10    HB3  TRP   2           3HB      TRP   2 -12.579   3.256  -1.636
   11    HD1  TRP   2           HD1      TRP   2 -15.735   2.205   0.156
   12    HE1  TRP   2           HE1      TRP   2 -17.670   2.050  -1.532
   13    HE3  TRP   2           HE3      TRP   2 -13.075   2.668  -4.200
   14    HZ2  TRP   2           HZ2      TRP   2 -18.029   2.113  -4.327
   15    HZ3  TRP   2           HZ3      TRP   2 -14.297   2.609  -6.334
   16    HH2  TRP   2           HH2      TRP   2 -16.722   2.337  -6.395
   17    H    CYS   3           H        CYS   3 -11.131   1.157   1.238
   18    HA   CYS   3           HA       CYS   3  -8.703   2.445   0.379
   19    HB2  CYS   3           2HB      CYS   3  -8.024   2.321   2.715
   20    HB3  CYS   3           3HB      CYS   3  -9.671   2.928   2.591
   21    H    ALA   4           H        ALA   4  -6.584   1.561   0.664
   22    HA   ALA   4           HA       ALA   4  -6.389  -1.191  -0.213
   23    HB1  ALA   4           3HB      ALA   4  -4.035  -0.693  -0.573
   24    HB2  ALA   4           1HB      ALA   4  -4.210   0.841   0.285
   25    HB3  ALA   4           2HB      ALA   4  -5.037   0.593  -1.250
   26    H    GLU   5           H        GLU   5  -6.139  -2.868   1.111
   27    HA   GLU   5           HA       GLU   5  -5.494  -2.406   3.910
   28    HB2  GLU   5           2HB      GLU   5  -6.287  -4.689   4.294
   29    HB3  GLU   5           3HB      GLU   5  -7.465  -3.763   3.383
   30    HG2  GLU   5           2HG      GLU   5  -6.571  -4.870   1.310
   31    HG3  GLU   5           3HG      GLU   5  -5.636  -5.923   2.365
   32    H    GLU   6           H        GLU   6  -4.479  -5.101   4.395
   33    HA   GLU   6           HA       GLU   6  -1.688  -4.572   3.883
   34    HB2  GLU   6           2HB      GLU   6  -1.310  -6.631   5.286
   35    HB3  GLU   6           3HB      GLU   6  -2.169  -5.330   6.088
   36    HG2  GLU   6           2HG      GLU   6  -4.286  -6.514   5.746
   37    HG3  GLU   6           3HG      GLU   6  -3.422  -7.819   4.934
   38    H    GLY   7           H        GLY   7  -0.757  -5.122   2.070
   39    HA2  GLY   7           2HA      GLY   7   0.165  -6.841   0.667
   40    HA3  GLY   7           3HA      GLY   7  -1.301  -7.778   0.911
   41    H    GLU   8           H        GLU   8  -2.018  -4.534   0.409
   42    HA   GLU   8           HA       GLU   8  -2.553  -4.996  -2.452
   43    HB2  GLU   8           2HB      GLU   8  -4.165  -3.549  -0.356
   44    HB3  GLU   8           3HB      GLU   8  -4.410  -3.252  -2.069
   45    HG2  GLU   8           2HG      GLU   8  -4.572  -6.011  -0.902
   46    HG3  GLU   8           3HG      GLU   8  -5.953  -4.918  -0.917
   47    H    SER   9           H        SER   9  -2.580  -3.048  -3.802
   48    HA   SER   9           HA       SER   9  -0.303  -1.376  -3.224
   49    HB2  SER   9           2HB      SER   9  -0.722  -0.470  -5.504
   50    HB3  SER   9           3HB      SER   9  -0.571  -2.223  -5.469
   51    HG   SER   9           HG       SER   9  -2.342  -1.634  -6.731
   52    H    CYS  10           H        CYS  10  -0.259   0.713  -2.670
   53    HA   CYS  10           HA       CYS  10  -2.841   2.024  -2.149
   54    HB2  CYS  10           2HB      CYS  10  -1.674   3.364  -0.471
   55    HB3  CYS  10           3HB      CYS  10  -1.430   1.649  -0.166
   56    H    GLU  11           H        GLU  11  -1.736   1.989  -4.756
   57    HA   GLU  11           HA       GLU  11  -0.544   4.587  -5.242
   58    HB2  GLU  11           2HB      GLU  11  -0.433   3.888  -7.591
   59    HB3  GLU  11           3HB      GLU  11   0.266   2.681  -6.525
   60    HG2  GLU  11           2HG      GLU  11  -1.568   1.217  -6.819
   61    HG3  GLU  11           3HG      GLU  11  -2.545   2.472  -7.577
   62    H    VAL  12           H        VAL  12  -3.672   3.399  -4.910
   63    HA   VAL  12           HA       VAL  12  -4.780   5.714  -6.345
   64    HB   VAL  12           HB       VAL  12  -5.305   3.652  -7.580
   65   HG11  VAL  12          1HG1      VAL  12  -6.252   2.682  -4.949
   66   HG12  VAL  12          2HG1      VAL  12  -5.463   1.812  -6.265
   67   HG13  VAL  12          3HG1      VAL  12  -7.180   2.202  -6.370
   68   HG21  VAL  12          3HG2      VAL  12  -7.790   3.900  -7.666
   69   HG22  VAL  12          1HG2      VAL  12  -6.885   5.408  -7.814
   70   HG23  VAL  12          2HG2      VAL  12  -7.666   4.995  -6.289
   71    H    TYR  13           H        TYR  13  -5.047   3.500  -3.613
   72    HA   TYR  13           HA       TYR  13  -6.470   5.588  -2.124
   73    HB2  TYR  13           2HB      TYR  13  -7.238   2.713  -2.433
   74    HB3  TYR  13           3HB      TYR  13  -7.562   3.531  -0.925
   75    HD1  TYR  13           HD2      TYR  13  -8.280   3.587  -4.554
   76    HD2  TYR  13           HD1      TYR  13  -9.369   5.056  -0.709
   77    HE1  TYR  13           HE2      TYR  13 -10.339   4.532  -5.504
   78    HE2  TYR  13           HE1      TYR  13 -11.432   6.003  -1.652
   79    HH   TYR  13           HH       TYR  13 -12.290   6.746  -3.833
   80    HA   PRO  14           HA       PRO  14  -3.416   4.973   1.059
   81    HB2  PRO  14           2HB      PRO  14  -4.847   5.638   3.286
   82    HB3  PRO  14           3HB      PRO  14  -4.323   6.841   2.091
   83    HG2  PRO  14           2HG      PRO  14  -6.989   5.534   2.407
   84    HG3  PRO  14           3HG      PRO  14  -6.599   7.239   2.090
   85    HD2  PRO  14           2HD      PRO  14  -7.375   5.554   0.136
   86    HD3  PRO  14           3HD      PRO  14  -6.228   6.870  -0.150
   87    H    CYS  15           H        CYS  15  -3.525   4.070   3.594
   88    HA   CYS  15           HA       CYS  15  -4.121   1.254   3.283
   89    HB2  CYS  15           2HB      CYS  15  -2.940   2.680   5.672
   90    HB3  CYS  15           3HB      CYS  15  -2.939   0.954   5.375
   91    H    CYS  16           H        CYS  16  -5.026   0.181   5.473
   92    HA   CYS  16           HA       CYS  16  -7.511   1.634   6.097
   93    HB2  CYS  16           2HB      CYS  16  -7.173  -1.358   5.920
   94    HB3  CYS  16           3HB      CYS  16  -8.682  -0.482   6.160
   95    H    ASP  17           H        ASP  17  -5.463  -0.999   7.412
   96    HA   ASP  17           HA       ASP  17  -6.464  -0.534  10.091
   97    HB2  ASP  17           2HB      ASP  17  -4.499  -2.510   8.935
   98    HB3  ASP  17           3HB      ASP  17  -4.835  -2.409  10.660
   99    H    GLY  18           H        GLY  18  -4.503   1.335   8.489
  100    HA2  GLY  18           2HA      GLY  18  -3.148   3.037   9.381
  101    HA3  GLY  18           3HA      GLY  18  -2.941   2.080  10.840
  102    H    LEU  19           H        LEU  19  -2.439   0.942   7.560
  103    HA   LEU  19           HA       LEU  19   0.232   0.049   8.170
  104    HB2  LEU  19           2HB      LEU  19  -1.263  -0.055   5.560
  105    HB3  LEU  19           3HB      LEU  19   0.161  -0.979   5.968
  106    HG   LEU  19           HG       LEU  19  -2.174  -1.377   7.744
  107   HD11  LEU  19          1HD1      LEU  19  -3.331  -2.844   6.218
  108   HD12  LEU  19          2HD1      LEU  19  -2.161  -2.501   4.946
  109   HD13  LEU  19          3HD1      LEU  19  -3.240  -1.228   5.519
  110   HD21  LEU  19          3HD2      LEU  19  -1.281  -3.449   8.041
  111   HD22  LEU  19          1HD2      LEU  19   0.176  -2.575   7.574
  112   HD23  LEU  19          2HD2      LEU  19  -0.685  -3.552   6.386
  113    H    ILE  20           H        ILE  20   1.941   0.383   6.396
  114    HA   ILE  20           HA       ILE  20   2.017   3.236   5.656
  115    HB   ILE  20           HB       ILE  20   4.316   1.436   6.469
  116   HG12  ILE  20          2HG1      ILE  20   4.426   3.567   8.146
  117   HG13  ILE  20          3HG1      ILE  20   2.687   3.471   7.876
  118   HG21  ILE  20          1HG2      ILE  20   5.610   3.668   6.397
  119   HG22  ILE  20          2HG2      ILE  20   4.308   4.221   5.339
  120   HG23  ILE  20          3HG2      ILE  20   5.295   2.834   4.873
  121   HD11  ILE  20          3HD1      ILE  20   4.384   1.169   8.799
  122   HD12  ILE  20          1HD1      ILE  20   2.625   1.226   8.688
  123   HD13  ILE  20          2HD1      ILE  20   3.468   2.233   9.866
  124    H    CYS  21           H        CYS  21   2.767   3.803   3.657
  125    HA   CYS  21           HA       CYS  21   2.635   1.794   1.588
  126    HB2  CYS  21           2HB      CYS  21   2.939   4.787   1.627
  127    HB3  CYS  21           3HB      CYS  21   3.148   3.877   0.131
  128    H    TYR  22           H        TYR  22   4.346   0.500   1.506
  129    HA   TYR  22           HA       TYR  22   7.032   1.410   1.928
  130    HB2  TYR  22           2HB      TYR  22   5.744  -1.218   1.302
  131    HB3  TYR  22           3HB      TYR  22   7.487  -1.034   1.116
  132    HD1  TYR  22           HD1      TYR  22   8.911  -0.659   3.046
  133    HD2  TYR  22           HD2      TYR  22   4.719  -1.213   3.496
  134    HE1  TYR  22           HE1      TYR  22   9.231  -1.053   5.452
  135    HE2  TYR  22           HE2      TYR  22   5.025  -1.611   5.905
  136    HH   TYR  22           HH       TYR  22   6.800  -2.339   7.441
  137    HA   PRO  23           HA       PRO  23   7.947   2.445  -2.310
  138    HB2  PRO  23           2HB      PRO  23  10.676   2.296  -2.220
  139    HB3  PRO  23           3HB      PRO  23   9.761   3.626  -1.485
  140    HG2  PRO  23           2HG      PRO  23  10.962   1.225  -0.190
  141    HG3  PRO  23           3HG      PRO  23  10.923   2.909   0.369
  142    HD2  PRO  23           2HD      PRO  23   9.223   1.009   1.317
  143    HD3  PRO  23           3HD      PRO  23   8.796   2.722   1.209
  144    H    THR  24           H        THR  24   6.897   0.145  -2.520
  145    HA   THR  24           HA       THR  24   8.799  -1.881  -3.432
  146    HB   THR  24           HB       THR  24   6.917  -3.421  -3.490
  147    HG1  THR  24           HG1      THR  24   5.436  -1.406  -3.957
  148   HG21  THR  24          3HG2      THR  24   7.992  -3.041  -1.313
  149   HG22  THR  24          1HG2      THR  24   6.278  -3.414  -1.128
  150   HG23  THR  24          2HG2      THR  24   6.838  -1.748  -0.972
  151    H    PHE  25           H        PHE  25   8.658  -2.844  -5.501
  152    HA   PHE  25           HA       PHE  25   7.511  -1.052  -7.514
  153    HB2  PHE  25           2HB      PHE  25  10.010  -2.575  -7.356
  154    HB3  PHE  25           3HB      PHE  25   9.198  -2.698  -8.909
  155    HD1  PHE  25           HD1      PHE  25  10.528  -0.260  -6.442
  156    HD2  PHE  25           HD2      PHE  25   9.327  -0.967 -10.466
  157    HE1  PHE  25           HE1      PHE  25  11.446   1.928  -7.100
  158    HE2  PHE  25           HE2      PHE  25  10.234   1.218 -11.127
  159    HZ   PHE  25           HZ       PHE  25  11.299   2.669  -9.443
  160    HA   PRO  26           HA       PRO  26   7.150  -1.061  -9.717
  161    HB2  PRO  26           2HB      PRO  26   4.490  -1.081 -10.841
  162    HB3  PRO  26           3HB      PRO  26   6.035  -1.331 -11.669
  163    HG2  PRO  26           2HG      PRO  26   4.154  -3.276 -11.346
  164    HG3  PRO  26           3HG      PRO  26   5.887  -3.589 -11.552
  165    HD2  PRO  26           2HD      PRO  26   4.251  -3.604  -9.054
  166    HD3  PRO  26           3HD      PRO  26   5.584  -4.672  -9.540
  167    H    GLU  27           H        GLU  27   4.092  -1.745  -8.045
  168    HA   GLU  27           HA       GLU  27   3.906   1.095  -7.322
  169    HB2  GLU  27           2HB      GLU  27   1.497   0.666  -6.843
  170    HB3  GLU  27           3HB      GLU  27   1.941   0.458  -8.526
  171    HG2  GLU  27           2HG      GLU  27   1.814  -1.909  -6.703
  172    HG3  GLU  27           3HG      GLU  27   0.341  -1.237  -7.395
  173    HA   PRO  28           HA       PRO  28   4.840   0.121  -3.073
  174    HB2  PRO  28           2HB      PRO  28   3.364   2.047  -1.775
  175    HB3  PRO  28           3HB      PRO  28   4.928   2.356  -2.563
  176    HG2  PRO  28           2HG      PRO  28   2.177   2.878  -3.567
  177    HG3  PRO  28           3HG      PRO  28   3.635   3.879  -3.703
  178    HD2  PRO  28           2HD      PRO  28   2.740   2.397  -5.759
  179    HD3  PRO  28           3HD      PRO  28   4.472   2.657  -5.472
  180    H    ILE  29           H        ILE  29   3.970  -0.720  -1.129
  181    HA   ILE  29           HA       ILE  29   1.146  -1.568  -1.279
  182    HB   ILE  29           HB       ILE  29   3.327  -3.251  -0.037
  183   HG12  ILE  29          2HG1      ILE  29   3.924  -3.099  -2.383
  184   HG13  ILE  29          3HG1      ILE  29   3.282  -4.699  -2.056
  185   HG21  ILE  29          1HG2      ILE  29   1.710  -5.092  -0.247
  186   HG22  ILE  29          2HG2      ILE  29   0.527  -3.960  -0.903
  187   HG23  ILE  29          3HG2      ILE  29   1.103  -3.772   0.753
  188   HD11  ILE  29          3HD1      ILE  29   1.187  -4.103  -3.135
  189   HD12  ILE  29          1HD1      ILE  29   2.544  -3.798  -4.220
  190   HD13  ILE  29          2HD1      ILE  29   1.761  -2.454  -3.386
  191    H    CYS  30           H        CYS  30   0.074  -1.855   0.735
  192    HA   CYS  30           HA       CYS  30   1.011  -0.042   2.800
  193    HB2  CYS  30           2HB      CYS  30  -1.583  -1.317   2.064
  194    HB3  CYS  30           3HB      CYS  30  -1.355  -0.850   3.737
  195    H    GLY  31           H        GLY  31   2.152  -0.752   4.493
  196    HA2  GLY  31           2HA      GLY  31   1.473  -3.270   5.786
  197    HA3  GLY  31           3HA      GLY  31   3.085  -3.174   5.107
  198    H    VAL  32           H        VAL  32   2.085  -3.445   7.901
  199    HA   VAL  32           HA       VAL  32   3.040  -0.987   9.153
  200    HB   VAL  32           HB       VAL  32   2.482  -2.307  11.331
  201   HG11  VAL  32          1HG1      VAL  32   0.334  -1.394  11.380
  202   HG12  VAL  32          2HG1      VAL  32   0.105  -1.606   9.648
  203   HG13  VAL  32          3HG1      VAL  32   1.215  -0.372  10.245
  204   HG21  VAL  32          3HG2      VAL  32   0.781  -3.868   9.386
  205   HG22  VAL  32          1HG2      VAL  32   0.762  -3.998  11.144
  206   HG23  VAL  32          2HG2      VAL  32   2.186  -4.509  10.237
  Start of MODEL    2
    1    H1   PCA   1           HN       PCA   1 -15.300  -2.868  -0.686
    2    HA   PCA   1           HA       PCA   1 -14.182  -1.531   1.194
    3    HB2  PCA   1           1HB      PCA   1 -11.558  -2.679   0.725
    4    HB3  PCA   1           2HB      PCA   1 -12.482  -2.411   2.073
    5    HG2  PCA   1           1HG      PCA   1 -12.227  -5.017   0.820
    6    HG3  PCA   1           2HG      PCA   1 -13.103  -4.479   2.120
    7    H    TRP   2           H        TRP   2 -13.029   0.366   0.809
    8    HA   TRP   2           HA       TRP   2 -12.446   0.919  -2.019
    9    HB2  TRP   2           2HB      TRP   2 -13.189   2.763   0.254
   10    HB3  TRP   2           3HB      TRP   2 -12.660   3.336  -1.323
   11    HD1  TRP   2           HD1      TRP   2 -15.636   1.742   0.442
   12    HE1  TRP   2           HE1      TRP   2 -17.686   1.846  -1.108
   13    HE3  TRP   2           HE3      TRP   2 -13.352   3.384  -3.841
   14    HZ2  TRP   2           HZ2      TRP   2 -18.265   2.529  -3.781
   15    HZ3  TRP   2           HZ3      TRP   2 -14.732   3.734  -5.848
   16    HH2  TRP   2           HH2      TRP   2 -17.136   3.315  -5.817
   17    H    CYS   3           H        CYS   3 -11.128   1.143   1.223
   18    HA   CYS   3           HA       CYS   3  -8.697   2.438   0.383
   19    HB2  CYS   3           2HB      CYS   3  -8.028   2.308   2.719
   20    HB3  CYS   3           3HB      CYS   3  -9.677   2.910   2.596
   21    H    ALA   4           H        ALA   4  -6.582   1.554   0.674
   22    HA   ALA   4           HA       ALA   4  -6.384  -1.196  -0.212
   23    HB1  ALA   4           3HB      ALA   4  -4.038  -0.694  -0.587
   24    HB2  ALA   4           1HB      ALA   4  -4.199   0.828   0.296
   25    HB3  ALA   4           2HB      ALA   4  -5.038   0.608  -1.238
   26    H    GLU   5           H        GLU   5  -6.139  -2.872   1.115
   27    HA   GLU   5           HA       GLU   5  -5.490  -2.412   3.913
   28    HB2  GLU   5           2HB      GLU   5  -6.283  -4.693   4.297
   29    HB3  GLU   5           3HB      GLU   5  -7.460  -3.769   3.385
   30    HG2  GLU   5           2HG      GLU   5  -6.563  -4.877   1.312
   31    HG3  GLU   5           3HG      GLU   5  -5.631  -5.931   2.372
   32    H    GLU   6           H        GLU   6  -4.473  -5.103   4.400
   33    HA   GLU   6           HA       GLU   6  -1.682  -4.574   3.883
   34    HB2  GLU   6           2HB      GLU   6  -1.301  -6.634   5.285
   35    HB3  GLU   6           3HB      GLU   6  -2.160  -5.333   6.087
   36    HG2  GLU   6           2HG      GLU   6  -4.276  -6.520   5.746
   37    HG3  GLU   6           3HG      GLU   6  -3.412  -7.824   4.937
   38    H    GLY   7           H        GLY   7  -0.753  -5.123   2.069
   39    HA2  GLY   7           2HA      GLY   7   0.169  -6.842   0.664
   40    HA3  GLY   7           3HA      GLY   7  -1.297  -7.777   0.909
   41    H    GLU   8           H        GLU   8  -2.017  -4.537   0.411
   42    HA   GLU   8           HA       GLU   8  -2.555  -4.996  -2.450
   43    HB2  GLU   8           2HB      GLU   8  -4.164  -3.552  -0.350
   44    HB3  GLU   8           3HB      GLU   8  -4.410  -3.249  -2.061
   45    HG2  GLU   8           2HG      GLU   8  -4.574  -6.012  -0.903
   46    HG3  GLU   8           3HG      GLU   8  -5.954  -4.918  -0.916
   47    H    SER   9           H        SER   9  -2.580  -3.049  -3.800
   48    HA   SER   9           HA       SER   9  -0.304  -1.376  -3.224
   49    HB2  SER   9           2HB      SER   9  -0.725  -0.469  -5.502
   50    HB3  SER   9           3HB      SER   9  -0.574  -2.224  -5.469
   51    HG   SER   9           HG       SER   9  -2.572  -0.807  -6.427
   52    H    CYS  10           H        CYS  10  -0.258   0.713  -2.671
   53    HA   CYS  10           HA       CYS  10  -2.839   2.024  -2.149
   54    HB2  CYS  10           2HB      CYS  10  -1.672   3.362  -0.468
   55    HB3  CYS  10           3HB      CYS  10  -1.432   1.646  -0.165
   56    H    GLU  11           H        GLU  11  -1.742   1.993  -4.755
   57    HA   GLU  11           HA       GLU  11  -0.540   4.588  -5.237
   58    HB2  GLU  11           2HB      GLU  11  -0.436   3.891  -7.590
   59    HB3  GLU  11           3HB      GLU  11   0.265   2.684  -6.525
   60    HG2  GLU  11           2HG      GLU  11  -1.570   1.221  -6.814
   61    HG3  GLU  11           3HG      GLU  11  -2.548   2.475  -7.570
   62    H    VAL  12           H        VAL  12  -3.672   3.406  -4.914
   63    HA   VAL  12           HA       VAL  12  -4.770   5.731  -6.339
   64    HB   VAL  12           HB       VAL  12  -5.294   3.669  -7.582
   65   HG11  VAL  12          1HG1      VAL  12  -5.474   1.836  -6.260
   66   HG12  VAL  12          2HG1      VAL  12  -7.188   2.231  -6.392
   67   HG13  VAL  12          3HG1      VAL  12  -6.281   2.711  -4.960
   68   HG21  VAL  12          3HG2      VAL  12  -6.858   5.423  -7.851
   69   HG22  VAL  12          1HG2      VAL  12  -7.641   5.057  -6.314
   70   HG23  VAL  12          2HG2      VAL  12  -7.788   3.936  -7.667
   71    H    TYR  13           H        TYR  13  -5.052   3.508  -3.615
   72    HA   TYR  13           HA       TYR  13  -6.472   5.596  -2.123
   73    HB2  TYR  13           2HB      TYR  13  -7.250   2.725  -2.450
   74    HB3  TYR  13           3HB      TYR  13  -7.561   3.526  -0.930
   75    HD1  TYR  13           HD1      TYR  13  -8.275   3.689  -4.563
   76    HD2  TYR  13           HD2      TYR  13  -9.394   4.993  -0.670
   77    HE1  TYR  13           HE1      TYR  13 -10.343   4.645  -5.485
   78    HE2  TYR  13           HE2      TYR  13 -11.464   5.953  -1.583
   79    HH   TYR  13           HH       TYR  13 -12.590   5.267  -4.706
   80    HA   PRO  14           HA       PRO  14  -3.423   4.974   1.060
   81    HB2  PRO  14           2HB      PRO  14  -4.855   5.633   3.288
   82    HB3  PRO  14           3HB      PRO  14  -4.332   6.839   2.096
   83    HG2  PRO  14           2HG      PRO  14  -6.997   5.531   2.411
   84    HG3  PRO  14           3HG      PRO  14  -6.607   7.236   2.094
   85    HD2  PRO  14           2HD      PRO  14  -7.383   5.550   0.139
   86    HD3  PRO  14           3HD      PRO  14  -6.239   6.869  -0.146
   87    H    CYS  15           H        CYS  15  -3.530   4.067   3.593
   88    HA   CYS  15           HA       CYS  15  -4.123   1.251   3.280
   89    HB2  CYS  15           2HB      CYS  15  -2.945   2.676   5.669
   90    HB3  CYS  15           3HB      CYS  15  -2.940   0.951   5.372
   91    H    CYS  16           H        CYS  16  -5.026   0.176   5.470
   92    HA   CYS  16           HA       CYS  16  -7.515   1.624   6.090
   93    HB2  CYS  16           2HB      CYS  16  -7.169  -1.367   5.920
   94    HB3  CYS  16           3HB      CYS  16  -8.680  -0.495   6.158
   95    H    ASP  17           H        ASP  17  -5.461  -1.001   7.413
   96    HA   ASP  17           HA       ASP  17  -6.465  -0.530  10.091
   97    HB2  ASP  17           2HB      ASP  17  -4.500  -2.509   8.940
   98    HB3  ASP  17           3HB      ASP  17  -4.836  -2.403  10.664
   99    H    GLY  18           H        GLY  18  -4.507   1.337   8.485
  100    HA2  GLY  18           2HA      GLY  18  -3.152   3.040   9.373
  101    HA3  GLY  18           3HA      GLY  18  -2.945   2.087  10.834
  102    H    LEU  19           H        LEU  19  -2.441   0.945   7.555
  103    HA   LEU  19           HA       LEU  19   0.230   0.053   8.168
  104    HB2  LEU  19           2HB      LEU  19  -1.263  -0.055   5.559
  105    HB3  LEU  19           3HB      LEU  19   0.161  -0.978   5.969
  106    HG   LEU  19           HG       LEU  19  -2.175  -1.376   7.744
  107   HD11  LEU  19          1HD1      LEU  19  -3.329  -2.847   6.219
  108   HD12  LEU  19          2HD1      LEU  19  -2.158  -2.503   4.947
  109   HD13  LEU  19          3HD1      LEU  19  -3.240  -1.231   5.518
  110   HD21  LEU  19          3HD2      LEU  19   0.178  -2.571   7.574
  111   HD22  LEU  19          1HD2      LEU  19  -0.683  -3.551   6.390
  112   HD23  LEU  19          2HD2      LEU  19  -1.279  -3.447   8.045
  113    H    ILE  20           H        ILE  20   1.941   0.386   6.397
  114    HA   ILE  20           HA       ILE  20   2.017   3.239   5.655
  115    HB   ILE  20           HB       ILE  20   4.316   1.438   6.469
  116   HG12  ILE  20          2HG1      ILE  20   4.425   3.570   8.143
  117   HG13  ILE  20          3HG1      ILE  20   2.687   3.472   7.874
  118   HG21  ILE  20          1HG2      ILE  20   5.292   2.836   4.870
  119   HG22  ILE  20          2HG2      ILE  20   5.610   3.669   6.395
  120   HG23  ILE  20          3HG2      ILE  20   4.308   4.224   5.340
  121   HD11  ILE  20          3HD1      ILE  20   2.628   1.228   8.690
  122   HD12  ILE  20          1HD1      ILE  20   3.471   2.235   9.865
  123   HD13  ILE  20          2HD1      ILE  20   4.386   1.171   8.796
  124    H    CYS  21           H        CYS  21   2.769   3.804   3.656
  125    HA   CYS  21           HA       CYS  21   2.635   1.795   1.588
  126    HB2  CYS  21           2HB      CYS  21   2.940   4.788   1.626
  127    HB3  CYS  21           3HB      CYS  21   3.148   3.878   0.131
  128    H    TYR  22           H        TYR  22   4.346   0.500   1.507
  129    HA   TYR  22           HA       TYR  22   7.033   1.409   1.930
  130    HB2  TYR  22           2HB      TYR  22   5.743  -1.218   1.302
  131    HB3  TYR  22           3HB      TYR  22   7.486  -1.036   1.116
  132    HD1  TYR  22           HD1      TYR  22   8.911  -0.659   3.048
  133    HD2  TYR  22           HD2      TYR  22   4.719  -1.213   3.495
  134    HE1  TYR  22           HE1      TYR  22   9.229  -1.052   5.453
  135    HE2  TYR  22           HE2      TYR  22   5.024  -1.611   5.905
  136    HH   TYR  22           HH       TYR  22   6.799  -2.338   7.443
  137    HA   PRO  23           HA       PRO  23   7.948   2.443  -2.309
  138    HB2  PRO  23           2HB      PRO  23  10.678   2.294  -2.219
  139    HB3  PRO  23           3HB      PRO  23   9.763   3.624  -1.485
  140    HG2  PRO  23           2HG      PRO  23  10.962   1.224  -0.189
  141    HG3  PRO  23           3HG      PRO  23  10.924   2.909   0.369
  142    HD2  PRO  23           2HD      PRO  23   9.223   1.008   1.317
  143    HD3  PRO  23           3HD      PRO  23   8.797   2.720   1.209
  144    H    THR  24           H        THR  24   6.898   0.144  -2.519
  145    HA   THR  24           HA       THR  24   8.798  -1.882  -3.432
  146    HB   THR  24           HB       THR  24   6.916  -3.421  -3.489
  147    HG1  THR  24           HG1      THR  24   5.429  -1.438  -3.981
  148   HG21  THR  24          3HG2      THR  24   6.841  -1.748  -0.972
  149   HG22  THR  24          1HG2      THR  24   7.990  -3.044  -1.312
  150   HG23  THR  24          2HG2      THR  24   6.274  -3.413  -1.128
  151    H    PHE  25           H        PHE  25   8.651  -2.850  -5.500
  152    HA   PHE  25           HA       PHE  25   7.507  -1.056  -7.514
  153    HB2  PHE  25           2HB      PHE  25  10.007  -2.581  -7.355
  154    HB3  PHE  25           3HB      PHE  25   9.193  -2.705  -8.907
  155    HD1  PHE  25           HD2      PHE  25  10.525  -0.264  -6.445
  156    HD2  PHE  25           HD1      PHE  25   9.321  -0.977 -10.466
  157    HE1  PHE  25           HE2      PHE  25  11.442   1.923  -7.106
  158    HE2  PHE  25           HE1      PHE  25  10.230   1.206 -11.131
  159    HZ   PHE  25           HZ       PHE  25  11.294   2.661  -9.451
  160    HA   PRO  26           HA       PRO  26   7.146  -1.068  -9.718
  161    HB2  PRO  26           2HB      PRO  26   4.485  -1.088 -10.840
  162    HB3  PRO  26           3HB      PRO  26   6.028  -1.340 -11.669
  163    HG2  PRO  26           2HG      PRO  26   4.148  -3.284 -11.343
  164    HG3  PRO  26           3HG      PRO  26   5.881  -3.597 -11.549
  165    HD2  PRO  26           2HD      PRO  26   4.246  -3.608  -9.050
  166    HD3  PRO  26           3HD      PRO  26   5.579  -4.679  -9.535
  167    H    GLU  27           H        GLU  27   4.089  -1.750  -8.042
  168    HA   GLU  27           HA       GLU  27   3.905   1.092  -7.322
  169    HB2  GLU  27           2HB      GLU  27   1.496   0.665  -6.841
  170    HB3  GLU  27           3HB      GLU  27   1.939   0.458  -8.525
  171    HG2  GLU  27           2HG      GLU  27   1.812  -1.911  -6.704
  172    HG3  GLU  27           3HG      GLU  27   0.338  -1.237  -7.394
  173    HA   PRO  28           HA       PRO  28   4.840   0.119  -3.072
  174    HB2  PRO  28           2HB      PRO  28   3.364   2.047  -1.775
  175    HB3  PRO  28           3HB      PRO  28   4.929   2.355  -2.563
  176    HG2  PRO  28           2HG      PRO  28   2.179   2.879  -3.567
  177    HG3  PRO  28           3HG      PRO  28   3.638   3.879  -3.704
  178    HD2  PRO  28           2HD      PRO  28   2.740   2.396  -5.759
  179    HD3  PRO  28           3HD      PRO  28   4.473   2.654  -5.473
  180    H    ILE  29           H        ILE  29   3.970  -0.724  -1.130
  181    HA   ILE  29           HA       ILE  29   1.146  -1.569  -1.277
  182    HB   ILE  29           HB       ILE  29   3.327  -3.253  -0.037
  183   HG12  ILE  29          2HG1      ILE  29   3.925  -3.101  -2.382
  184   HG13  ILE  29          3HG1      ILE  29   3.280  -4.701  -2.056
  185   HG21  ILE  29          1HG2      ILE  29   1.102  -3.773   0.754
  186   HG22  ILE  29          2HG2      ILE  29   1.709  -5.092  -0.246
  187   HG23  ILE  29          3HG2      ILE  29   0.526  -3.960  -0.903
  188   HD11  ILE  29          3HD1      ILE  29   2.545  -3.797  -4.220
  189   HD12  ILE  29          1HD1      ILE  29   1.762  -2.454  -3.385
  190   HD13  ILE  29          2HD1      ILE  29   1.188  -4.104  -3.137
  191    H    CYS  30           H        CYS  30   0.076  -1.854   0.735
  192    HA   CYS  30           HA       CYS  30   1.010  -0.042   2.800
  193    HB2  CYS  30           2HB      CYS  30  -1.583  -1.319   2.065
  194    HB3  CYS  30           3HB      CYS  30  -1.355  -0.850   3.737
  195    H    GLY  31           H        GLY  31   2.154  -0.752   4.492
  196    HA2  GLY  31           2HA      GLY  31   1.476  -3.269   5.786
  197    HA3  GLY  31           3HA      GLY  31   3.087  -3.171   5.108
  198    H    VAL  32           H        VAL  32   2.088  -3.445   7.902
  199    HA   VAL  32           HA       VAL  32   3.040  -0.985   9.152
  200    HB   VAL  32           HB       VAL  32   2.481  -2.303  11.332
  201   HG11  VAL  32          1HG1      VAL  32   0.333  -1.389  11.380
  202   HG12  VAL  32          2HG1      VAL  32   0.104  -1.601   9.647
  203   HG13  VAL  32          3HG1      VAL  32   1.214  -0.368  10.243
  204   HG21  VAL  32          3HG2      VAL  32   2.184  -4.505  10.235
  205   HG22  VAL  32          1HG2      VAL  32   0.777  -3.864   9.385
  206   HG23  VAL  32          2HG2      VAL  32   0.762  -3.996  11.144
  Start of MODEL    3
    1    H1   PCA   1           HN       PCA   1 -12.207  -2.005   1.852
    2    HA   PCA   1           HA       PCA   1 -13.831  -3.007   0.137
    3    HB2  PCA   1           1HB      PCA   1 -15.770  -0.866   0.444
    4    HB3  PCA   1           2HB      PCA   1 -15.865  -2.518   0.383
    5    HG2  PCA   1           1HG      PCA   1 -15.995  -1.021   2.861
    6    HG3  PCA   1           2HG      PCA   1 -16.002  -2.645   2.535
    7    H    TRP   2           H        TRP   2 -12.896   0.317   0.839
    8    HA   TRP   2           HA       TRP   2 -12.455   0.779  -2.039
    9    HB2  TRP   2           2HB      TRP   2 -13.227   2.744   0.119
   10    HB3  TRP   2           3HB      TRP   2 -12.673   3.231  -1.478
   11    HD1  TRP   2           HD1      TRP   2 -15.695   1.851   0.348
   12    HE1  TRP   2           HE1      TRP   2 -17.715   1.830  -1.243
   13    HE3  TRP   2           HE3      TRP   2 -13.303   2.987  -4.037
   14    HZ2  TRP   2           HZ2      TRP   2 -18.232   2.239  -3.984
   15    HZ3  TRP   2           HZ3      TRP   2 -14.638   3.151  -6.095
   16    HH2  TRP   2           HH2      TRP   2 -17.052   2.784  -6.068
   17    H    CYS   3           H        CYS   3 -11.159   1.100   1.197
   18    HA   CYS   3           HA       CYS   3  -8.735   2.408   0.356
   19    HB2  CYS   3           2HB      CYS   3  -8.072   2.294   2.692
   20    HB3  CYS   3           3HB      CYS   3  -9.731   2.867   2.569
   21    H    ALA   4           H        ALA   4  -6.609   1.545   0.670
   22    HA   ALA   4           HA       ALA   4  -6.382  -1.202  -0.222
   23    HB1  ALA   4           3HB      ALA   4  -4.246   0.876   0.276
   24    HB2  ALA   4           1HB      ALA   4  -5.039   0.565  -1.267
   25    HB3  ALA   4           2HB      ALA   4  -4.017  -0.674  -0.540
   26    H    GLU   5           H        GLU   5  -6.161  -2.869   1.109
   27    HA   GLU   5           HA       GLU   5  -5.509  -2.420   3.907
   28    HB2  GLU   5           2HB      GLU   5  -6.290  -4.710   4.276
   29    HB3  GLU   5           3HB      GLU   5  -7.471  -3.784   3.366
   30    HG2  GLU   5           2HG      GLU   5  -6.570  -4.875   1.289
   31    HG3  GLU   5           3HG      GLU   5  -5.624  -5.926   2.337
   32    H    GLU   6           H        GLU   6  -4.477  -5.118   4.369
   33    HA   GLU   6           HA       GLU   6  -1.688  -4.565   3.861
   34    HB2  GLU   6           2HB      GLU   6  -1.296  -6.635   5.246
   35    HB3  GLU   6           3HB      GLU   6  -2.160  -5.344   6.059
   36    HG2  GLU   6           2HG      GLU   6  -4.271  -6.537   5.709
   37    HG3  GLU   6           3HG      GLU   6  -3.400  -7.832   4.889
   38    H    GLY   7           H        GLY   7  -0.759  -5.090   2.040
   39    HA2  GLY   7           2HA      GLY   7   0.177  -6.798   0.627
   40    HA3  GLY   7           3HA      GLY   7  -1.289  -7.739   0.859
   41    H    GLU   8           H        GLU   8  -2.037  -4.507   0.385
   42    HA   GLU   8           HA       GLU   8  -2.550  -4.942  -2.484
   43    HB2  GLU   8           2HB      GLU   8  -4.177  -3.508  -0.387
   44    HB3  GLU   8           3HB      GLU   8  -4.421  -3.221  -2.103
   45    HG2  GLU   8           2HG      GLU   8  -4.560  -5.979  -0.930
   46    HG3  GLU   8           3HG      GLU   8  -5.950  -4.898  -0.941
   47    H    SER   9           H        SER   9  -2.572  -2.987  -3.822
   48    HA   SER   9           HA       SER   9  -0.302  -1.316  -3.236
   49    HB2  SER   9           2HB      SER   9  -0.762  -0.366  -5.501
   50    HB3  SER   9           3HB      SER   9  -0.568  -2.117  -5.489
   51    HG   SER   9           HG       SER   9  -2.753  -0.601  -6.138
   52    H    CYS  10           H        CYS  10  -0.265   0.706  -2.526
   53    HA   CYS  10           HA       CYS  10  -2.828   2.033  -1.996
   54    HB2  CYS  10           2HB      CYS  10  -1.625   3.360  -0.335
   55    HB3  CYS  10           3HB      CYS  10  -1.361   1.642  -0.057
   56    H    GLU  11           H        GLU  11  -1.576   1.988  -4.620
   57    HA   GLU  11           HA       GLU  11  -0.541   4.655  -5.085
   58    HB2  GLU  11           2HB      GLU  11  -0.257   3.937  -7.403
   59    HB3  GLU  11           3HB      GLU  11   0.422   2.755  -6.296
   60    HG2  GLU  11           2HG      GLU  11  -0.651   1.284  -7.627
   61    HG3  GLU  11           3HG      GLU  11  -2.050   1.718  -6.645
   62    H    VAL  12           H        VAL  12  -3.590   3.293  -4.839
   63    HA   VAL  12           HA       VAL  12  -4.789   5.464  -6.417
   64    HB   VAL  12           HB       VAL  12  -5.137   3.268  -7.503
   65   HG11  VAL  12          1HG1      VAL  12  -5.286   1.551  -6.028
   66   HG12  VAL  12          2HG1      VAL  12  -7.008   1.839  -6.281
   67   HG13  VAL  12          3HG1      VAL  12  -6.205   2.488  -4.852
   68   HG21  VAL  12          3HG2      VAL  12  -7.638   3.400  -7.696
   69   HG22  VAL  12          1HG2      VAL  12  -6.758   4.897  -8.003
   70   HG23  VAL  12          2HG2      VAL  12  -7.584   4.661  -6.464
   71    H    TYR  13           H        TYR  13  -4.969   3.422  -3.556
   72    HA   TYR  13           HA       TYR  13  -6.482   5.519  -2.185
   73    HB2  TYR  13           2HB      TYR  13  -7.226   2.631  -2.426
   74    HB3  TYR  13           3HB      TYR  13  -7.585   3.487  -0.947
   75    HD1  TYR  13           HD2      TYR  13  -8.213   3.471  -4.594
   76    HD2  TYR  13           HD1      TYR  13  -9.427   4.969  -0.799
   77    HE1  TYR  13           HE2      TYR  13 -10.258   4.371  -5.613
   78    HE2  TYR  13           HE1      TYR  13 -11.479   5.870  -1.809
   79    HH   TYR  13           HH       TYR  13 -12.529   5.019  -4.917
   80    HA   PRO  14           HA       PRO  14  -3.490   5.006   1.077
   81    HB2  PRO  14           2HB      PRO  14  -4.976   5.669   3.270
   82    HB3  PRO  14           3HB      PRO  14  -4.436   6.868   2.077
   83    HG2  PRO  14           2HG      PRO  14  -7.098   5.542   2.346
   84    HG3  PRO  14           3HG      PRO  14  -6.715   7.246   2.017
   85    HD2  PRO  14           2HD      PRO  14  -7.436   5.533   0.067
   86    HD3  PRO  14           3HD      PRO  14  -6.292   6.853  -0.209
   87    H    CYS  15           H        CYS  15  -3.509   4.072   3.554
   88    HA   CYS  15           HA       CYS  15  -4.127   1.267   3.268
   89    HB2  CYS  15           2HB      CYS  15  -2.951   2.694   5.659
   90    HB3  CYS  15           3HB      CYS  15  -2.939   0.970   5.357
   91    H    CYS  16           H        CYS  16  -5.029   0.187   5.451
   92    HA   CYS  16           HA       CYS  16  -7.521   1.630   6.072
   93    HB2  CYS  16           2HB      CYS  16  -7.164  -1.359   5.913
   94    HB3  CYS  16           3HB      CYS  16  -8.679  -0.491   6.142
   95    H    ASP  17           H        ASP  17  -5.461  -0.983   7.406
   96    HA   ASP  17           HA       ASP  17  -6.468  -0.498  10.082
   97    HB2  ASP  17           2HB      ASP  17  -4.506  -2.487   8.943
   98    HB3  ASP  17           3HB      ASP  17  -4.842  -2.371  10.667
   99    H    GLY  18           H        GLY  18  -4.512   1.360   8.469
  100    HA2  GLY  18           2HA      GLY  18  -3.150   3.065   9.340
  101    HA3  GLY  18           3HA      GLY  18  -2.947   2.124  10.811
  102    H    LEU  19           H        LEU  19  -2.438   0.976   7.532
  103    HA   LEU  19           HA       LEU  19   0.223   0.065   8.157
  104    HB2  LEU  19           2HB      LEU  19  -1.265  -0.037   5.545
  105    HB3  LEU  19           3HB      LEU  19   0.155  -0.965   5.956
  106    HG   LEU  19           HG       LEU  19  -2.190  -1.352   7.724
  107   HD11  LEU  19          1HD1      LEU  19  -2.156  -2.488   4.931
  108   HD12  LEU  19          2HD1      LEU  19  -3.241  -1.215   5.493
  109   HD13  LEU  19          3HD1      LEU  19  -3.335  -2.827   6.197
  110   HD21  LEU  19          3HD2      LEU  19  -1.294  -3.413   8.051
  111   HD22  LEU  19          1HD2      LEU  19   0.165  -2.553   7.565
  112   HD23  LEU  19          2HD2      LEU  19  -0.706  -3.544   6.395
  113    H    ILE  20           H        ILE  20   1.956   0.392   6.426
  114    HA   ILE  20           HA       ILE  20   2.055   3.243   5.679
  115    HB   ILE  20           HB       ILE  20   4.331   1.412   6.488
  116   HG12  ILE  20          2HG1      ILE  20   4.456   3.542   8.171
  117   HG13  ILE  20          3HG1      ILE  20   2.717   3.453   7.899
  118   HG21  ILE  20          1HG2      ILE  20   4.365   4.209   5.386
  119   HG22  ILE  20          2HG2      ILE  20   5.317   2.808   4.888
  120   HG23  ILE  20          3HG2      ILE  20   5.664   3.610   6.423
  121   HD11  ILE  20          3HD1      ILE  20   3.501   2.207   9.887
  122   HD12  ILE  20          1HD1      ILE  20   4.402   1.138   8.813
  123   HD13  ILE  20          2HD1      ILE  20   2.643   1.211   8.713
  124    H    CYS  21           H        CYS  21   2.824   3.813   3.687
  125    HA   CYS  21           HA       CYS  21   2.662   1.820   1.603
  126    HB2  CYS  21           2HB      CYS  21   3.020   4.808   1.664
  127    HB3  CYS  21           3HB      CYS  21   3.215   3.905   0.163
  128    H    TYR  22           H        TYR  22   4.353   0.500   1.494
  129    HA   TYR  22           HA       TYR  22   7.053   1.370   1.931
  130    HB2  TYR  22           2HB      TYR  22   5.727  -1.236   1.299
  131    HB3  TYR  22           3HB      TYR  22   7.470  -1.079   1.103
  132    HD1  TYR  22           HD1      TYR  22   8.913  -0.734   3.026
  133    HD2  TYR  22           HD2      TYR  22   4.714  -1.222   3.500
  134    HE1  TYR  22           HE1      TYR  22   9.241  -1.138   5.427
  135    HE2  TYR  22           HE2      TYR  22   5.028  -1.631   5.906
  136    HH   TYR  22           HH       TYR  22   7.946  -0.993   7.514
  137    HA   PRO  23           HA       PRO  23   7.981   2.413  -2.303
  138    HB2  PRO  23           2HB      PRO  23  10.708   2.232  -2.210
  139    HB3  PRO  23           3HB      PRO  23   9.806   3.572  -1.473
  140    HG2  PRO  23           2HG      PRO  23  10.978   1.155  -0.181
  141    HG3  PRO  23           3HG      PRO  23  10.957   2.839   0.381
  142    HD2  PRO  23           2HD      PRO  23   9.234   0.956   1.323
  143    HD3  PRO  23           3HD      PRO  23   8.826   2.674   1.216
  144    H    THR  24           H        THR  24   6.906   0.131  -2.528
  145    HA   THR  24           HA       THR  24   8.783  -1.917  -3.444
  146    HB   THR  24           HB       THR  24   6.883  -3.432  -3.508
  147    HG1  THR  24           HG1      THR  24   5.090  -1.593  -2.437
  148   HG21  THR  24          3HG2      THR  24   6.234  -3.422  -1.150
  149   HG22  THR  24          1HG2      THR  24   6.812  -1.760  -0.989
  150   HG23  THR  24          2HG2      THR  24   7.952  -3.065  -1.325
  151    H    PHE  25           H        PHE  25   8.594  -2.897  -5.515
  152    HA   PHE  25           HA       PHE  25   7.487  -1.073  -7.528
  153    HB2  PHE  25           2HB      PHE  25   9.962  -2.634  -7.372
  154    HB3  PHE  25           3HB      PHE  25   9.144  -2.756  -8.921
  155    HD1  PHE  25           HD2      PHE  25  10.509  -0.314  -6.474
  156    HD2  PHE  25           HD1      PHE  25   9.298  -1.041 -10.493
  157    HE1  PHE  25           HE2      PHE  25  11.454   1.855  -7.150
  158    HE2  PHE  25           HE1      PHE  25  10.236   1.127 -11.172
  159    HZ   PHE  25           HZ       PHE  25  11.319   2.578  -9.500
  160    HA   PRO  26           HA       PRO  26   7.121  -1.086  -9.738
  161    HB2  PRO  26           2HB      PRO  26   4.451  -1.059 -10.842
  162    HB3  PRO  26           3HB      PRO  26   5.985  -1.336 -11.682
  163    HG2  PRO  26           2HG      PRO  26   4.072  -3.247 -11.342
  164    HG3  PRO  26           3HG      PRO  26   5.799  -3.591 -11.560
  165    HD2  PRO  26           2HD      PRO  26   4.180  -3.574  -9.050
  166    HD3  PRO  26           3HD      PRO  26   5.492  -4.666  -9.543
  167    H    GLU  27           H        GLU  27   4.053  -1.704  -8.053
  168    HA   GLU  27           HA       GLU  27   3.947   1.139  -7.321
  169    HB2  GLU  27           2HB      GLU  27   1.523   0.774  -6.840
  170    HB3  GLU  27           3HB      GLU  27   1.961   0.579  -8.527
  171    HG2  GLU  27           2HG      GLU  27   1.772  -1.812  -6.740
  172    HG3  GLU  27           3HG      GLU  27   0.315  -1.087  -7.412
  173    HA   PRO  28           HA       PRO  28   4.851   0.134  -3.074
  174    HB2  PRO  28           2HB      PRO  28   3.388   2.070  -1.770
  175    HB3  PRO  28           3HB      PRO  28   4.959   2.364  -2.546
  176    HG2  PRO  28           2HG      PRO  28   2.222   2.928  -3.564
  177    HG3  PRO  28           3HG      PRO  28   3.692   3.911  -3.685
  178    HD2  PRO  28           2HD      PRO  28   2.797   2.457  -5.758
  179    HD3  PRO  28           3HD      PRO  28   4.530   2.684  -5.452
  180    H    ILE  29           H        ILE  29   3.977  -0.721  -1.147
  181    HA   ILE  29           HA       ILE  29   1.144  -1.541  -1.299
  182    HB   ILE  29           HB       ILE  29   3.306  -3.242  -0.048
  183   HG12  ILE  29          2HG1      ILE  29   3.932  -3.099  -2.384
  184   HG13  ILE  29          3HG1      ILE  29   3.256  -4.687  -2.074
  185   HG21  ILE  29          1HG2      ILE  29   1.674  -5.069  -0.284
  186   HG22  ILE  29          2HG2      ILE  29   0.507  -3.922  -0.942
  187   HG23  ILE  29          3HG2      ILE  29   1.072  -3.749   0.720
  188   HD11  ILE  29          3HD1      ILE  29   1.202  -4.080  -3.190
  189   HD12  ILE  29          1HD1      ILE  29   2.573  -3.732  -4.246
  190   HD13  ILE  29          2HD1      ILE  29   1.761  -2.418  -3.389
  191    H    CYS  30           H        CYS  30   0.073  -1.841   0.722
  192    HA   CYS  30           HA       CYS  30   1.015  -0.028   2.789
  193    HB2  CYS  30           2HB      CYS  30  -1.587  -1.289   2.051
  194    HB3  CYS  30           3HB      CYS  30  -1.355  -0.821   3.723
  195    H    GLY  31           H        GLY  31   2.144  -0.747   4.486
  196    HA2  GLY  31           2HA      GLY  31   1.449  -3.263   5.772
  197    HA3  GLY  31           3HA      GLY  31   3.060  -3.182   5.091
  198    H    VAL  32           H        VAL  32   2.067  -3.450   7.885
  199    HA   VAL  32           HA       VAL  32   3.055  -1.003   9.137
  200    HB   VAL  32           HB       VAL  32   2.476  -2.313  11.317
  201   HG11  VAL  32          1HG1      VAL  32   0.348  -1.362  11.368
  202   HG12  VAL  32          2HG1      VAL  32   0.105  -1.584   9.639
  203   HG13  VAL  32          3HG1      VAL  32   1.236  -0.362  10.220
  204   HG21  VAL  32          3HG2      VAL  32   2.148  -4.511  10.210
  205   HG22  VAL  32          1HG2      VAL  32   0.741  -3.847   9.380
  206   HG23  VAL  32          2HG2      VAL  32   0.742  -3.985  11.137
  Start of MODEL    4
    1    H1   PCA   1           HN       PCA   1 -15.408  -2.651   0.354
    2    HA   PCA   1           HA       PCA   1 -14.530  -0.672   1.728
    3    HB2  PCA   1           1HB      PCA   1 -11.893  -1.832   2.080
    4    HB3  PCA   1           2HB      PCA   1 -12.983  -1.103   3.090
    5    HG2  PCA   1           1HG      PCA   1 -12.621  -3.980   2.959
    6    HG3  PCA   1           2HG      PCA   1 -13.654  -3.019   3.828
    7    H    TRP   2           H        TRP   2 -13.294   0.976   0.820
    8    HA   TRP   2           HA       TRP   2 -12.411   0.490  -1.934
    9    HB2  TRP   2           2HB      TRP   2 -13.211   3.007  -0.475
   10    HB3  TRP   2           3HB      TRP   2 -12.480   3.027  -2.076
   11    HD1  TRP   2           HD1      TRP   2 -15.743   2.323  -0.287
   12    HE1  TRP   2           HE1      TRP   2 -17.605   1.943  -2.021
   13    HE3  TRP   2           HE3      TRP   2 -12.883   2.098  -4.529
   14    HZ2  TRP   2           HZ2      TRP   2 -17.835   1.593  -4.808
   15    HZ3  TRP   2           HZ3      TRP   2 -14.008   1.738  -6.688
   16    HH2  TRP   2           HH2      TRP   2 -16.433   1.491  -6.822
   17    H    CYS   3           H        CYS   3 -11.155   1.109   1.175
   18    HA   CYS   3           HA       CYS   3  -8.725   2.400   0.334
   19    HB2  CYS   3           2HB      CYS   3  -8.068   2.287   2.676
   20    HB3  CYS   3           3HB      CYS   3  -9.723   2.869   2.543
   21    H    ALA   4           H        ALA   4  -6.599   1.529   0.689
   22    HA   ALA   4           HA       ALA   4  -6.372  -1.220  -0.203
   23    HB1  ALA   4           3HB      ALA   4  -4.261   0.888   0.283
   24    HB2  ALA   4           1HB      ALA   4  -5.020   0.510  -1.265
   25    HB3  ALA   4           2HB      ALA   4  -3.986  -0.684  -0.475
   26    H    GLU   5           H        GLU   5  -6.152  -2.883   1.136
   27    HA   GLU   5           HA       GLU   5  -5.504  -2.421   3.933
   28    HB2  GLU   5           2HB      GLU   5  -6.300  -4.702   4.316
   29    HB3  GLU   5           3HB      GLU   5  -7.474  -3.777   3.399
   30    HG2  GLU   5           2HG      GLU   5  -6.573  -4.887   1.330
   31    HG3  GLU   5           3HG      GLU   5  -5.642  -5.938   2.390
   32    H    GLU   6           H        GLU   6  -4.484  -5.120   4.414
   33    HA   GLU   6           HA       GLU   6  -1.694  -4.587   3.889
   34    HB2  GLU   6           2HB      GLU   6  -1.307  -6.651   5.285
   35    HB3  GLU   6           3HB      GLU   6  -2.157  -5.347   6.095
   36    HG2  GLU   6           2HG      GLU   6  -4.280  -6.528   5.766
   37    HG3  GLU   6           3HG      GLU   6  -3.422  -7.835   4.951
   38    H    GLY   7           H        GLY   7  -0.781  -5.128   2.064
   39    HA2  GLY   7           2HA      GLY   7   0.133  -6.855   0.658
   40    HA3  GLY   7           3HA      GLY   7  -1.343  -7.777   0.895
   41    H    GLU   8           H        GLU   8  -2.031  -4.527   0.419
   42    HA   GLU   8           HA       GLU   8  -2.559  -4.953  -2.448
   43    HB2  GLU   8           2HB      GLU   8  -4.178  -3.520  -0.346
   44    HB3  GLU   8           3HB      GLU   8  -4.419  -3.222  -2.060
   45    HG2  GLU   8           2HG      GLU   8  -4.574  -5.987  -0.905
   46    HG3  GLU   8           3HG      GLU   8  -5.959  -4.898  -0.906
   47    H    SER   9           H        SER   9  -2.557  -3.004  -3.781
   48    HA   SER   9           HA       SER   9  -0.279  -1.346  -3.182
   49    HB2  SER   9           2HB      SER   9  -0.692  -0.417  -5.458
   50    HB3  SER   9           3HB      SER   9  -0.550  -2.172  -5.432
   51    HG   SER   9           HG       SER   9  -2.347  -1.282  -6.686
   52    H    CYS  10           H        CYS  10  -0.233   0.691  -2.499
   53    HA   CYS  10           HA       CYS  10  -2.792   2.032  -1.990
   54    HB2  CYS  10           2HB      CYS  10  -1.604   3.360  -0.327
   55    HB3  CYS  10           3HB      CYS  10  -1.327   1.647  -0.041
   56    H    GLU  11           H        GLU  11  -1.572   1.963  -4.610
   57    HA   GLU  11           HA       GLU  11  -0.506   4.616  -5.099
   58    HB2  GLU  11           2HB      GLU  11  -0.231   3.877  -7.410
   59    HB3  GLU  11           3HB      GLU  11   0.441   2.698  -6.295
   60    HG2  GLU  11           2HG      GLU  11  -0.644   1.228  -7.617
   61    HG3  GLU  11           3HG      GLU  11  -2.036   1.674  -6.630
   62    H    VAL  12           H        VAL  12  -3.566   3.257  -4.861
   63    HA   VAL  12           HA       VAL  12  -4.752   5.435  -6.441
   64    HB   VAL  12           HB       VAL  12  -5.107   3.239  -7.524
   65   HG11  VAL  12          1HG1      VAL  12  -6.168   2.464  -4.872
   66   HG12  VAL  12          2HG1      VAL  12  -5.277   1.516  -6.062
   67   HG13  VAL  12          3HG1      VAL  12  -6.997   1.830  -6.291
   68   HG21  VAL  12          3HG2      VAL  12  -7.602   3.383  -7.734
   69   HG22  VAL  12          1HG2      VAL  12  -6.721   4.885  -8.020
   70   HG23  VAL  12          2HG2      VAL  12  -7.558   4.631  -6.488
   71    H    TYR  13           H        TYR  13  -4.953   3.395  -3.578
   72    HA   TYR  13           HA       TYR  13  -6.464   5.503  -2.218
   73    HB2  TYR  13           2HB      TYR  13  -7.205   2.611  -2.447
   74    HB3  TYR  13           3HB      TYR  13  -7.569   3.476  -0.974
   75    HD1  TYR  13           HD1      TYR  13  -8.192   3.427  -4.621
   76    HD2  TYR  13           HD2      TYR  13  -9.401   4.973  -0.844
   77    HE1  TYR  13           HE1      TYR  13 -10.236   4.318  -5.650
   78    HE2  TYR  13           HE2      TYR  13 -11.450   5.868  -1.864
   79    HH   TYR  13           HH       TYR  13 -12.500   4.985  -4.966
   80    HA   PRO  14           HA       PRO  14  -3.477   5.000   1.050
   81    HB2  PRO  14           2HB      PRO  14  -4.970   5.667   3.241
   82    HB3  PRO  14           3HB      PRO  14  -4.426   6.864   2.050
   83    HG2  PRO  14           2HG      PRO  14  -7.089   5.545   2.313
   84    HG3  PRO  14           3HG      PRO  14  -6.701   7.246   1.978
   85    HD2  PRO  14           2HD      PRO  14  -7.421   5.525   0.034
   86    HD3  PRO  14           3HD      PRO  14  -6.277   6.843  -0.246
   87    H    CYS  15           H        CYS  15  -3.516   4.074   3.539
   88    HA   CYS  15           HA       CYS  15  -4.137   1.268   3.248
   89    HB2  CYS  15           2HB      CYS  15  -2.949   2.692   5.634
   90    HB3  CYS  15           3HB      CYS  15  -2.956   0.966   5.343
   91    H    CYS  16           H        CYS  16  -5.047   0.187   5.419
   92    HA   CYS  16           HA       CYS  16  -7.536   1.633   6.031
   93    HB2  CYS  16           2HB      CYS  16  -7.170  -1.357   5.898
   94    HB3  CYS  16           3HB      CYS  16  -8.688  -0.494   6.128
   95    H    ASP  17           H        ASP  17  -5.462  -0.949   7.397
   96    HA   ASP  17           HA       ASP  17  -6.471  -0.444  10.066
   97    HB2  ASP  17           2HB      ASP  17  -4.471  -2.413   8.957
   98    HB3  ASP  17           3HB      ASP  17  -4.824  -2.284  10.677
   99    H    GLY  18           H        GLY  18  -4.522   1.401   8.409
  100    HA2  GLY  18           2HA      GLY  18  -3.188   3.144   9.249
  101    HA3  GLY  18           3HA      GLY  18  -2.982   2.240  10.742
  102    H    LEU  19           H        LEU  19  -2.453   0.969   7.517
  103    HA   LEU  19           HA       LEU  19   0.210   0.104   8.169
  104    HB2  LEU  19           2HB      LEU  19  -1.248  -0.033   5.540
  105    HB3  LEU  19           3HB      LEU  19   0.166  -0.956   5.981
  106    HG   LEU  19           HG       LEU  19  -2.197  -1.315   7.732
  107   HD11  LEU  19          1HD1      LEU  19  -3.231  -1.211   5.492
  108   HD12  LEU  19          2HD1      LEU  19  -3.330  -2.813   6.217
  109   HD13  LEU  19          3HD1      LEU  19  -2.142  -2.492   4.955
  110   HD21  LEU  19          3HD2      LEU  19   0.166  -2.525   7.594
  111   HD22  LEU  19          1HD2      LEU  19  -0.718  -3.537   6.452
  112   HD23  LEU  19          2HD2      LEU  19  -1.296  -3.365   8.107
  113    H    ILE  20           H        ILE  20   2.000   0.426   6.574
  114    HA   ILE  20           HA       ILE  20   2.145   3.256   5.766
  115    HB   ILE  20           HB       ILE  20   4.390   1.352   6.506
  116   HG12  ILE  20          2HG1      ILE  20   4.032   3.871   8.001
  117   HG13  ILE  20          3HG1      ILE  20   2.731   2.705   8.206
  118   HG21  ILE  20          1HG2      ILE  20   5.769   3.527   6.433
  119   HG22  ILE  20          2HG2      ILE  20   4.453   4.167   5.443
  120   HG23  ILE  20          3HG2      ILE  20   5.361   2.755   4.899
  121   HD11  ILE  20          3HD1      ILE  20   5.653   2.193   8.714
  122   HD12  ILE  20          1HD1      ILE  20   4.348   1.027   8.926
  123   HD13  ILE  20          2HD1      ILE  20   4.414   2.470   9.939
  124    H    CYS  21           H        CYS  21   2.902   3.806   3.754
  125    HA   CYS  21           HA       CYS  21   2.672   1.804   1.679
  126    HB2  CYS  21           2HB      CYS  21   3.033   4.788   1.730
  127    HB3  CYS  21           3HB      CYS  21   3.236   3.888   0.228
  128    H    TYR  22           H        TYR  22   4.343   0.476   1.510
  129    HA   TYR  22           HA       TYR  22   7.057   1.307   1.937
  130    HB2  TYR  22           2HB      TYR  22   5.693  -1.271   1.281
  131    HB3  TYR  22           3HB      TYR  22   7.434  -1.133   1.065
  132    HD1  TYR  22           HD1      TYR  22   8.909  -0.849   2.968
  133    HD2  TYR  22           HD2      TYR  22   4.710  -1.263   3.501
  134    HE1  TYR  22           HE1      TYR  22   9.264  -1.294   5.360
  135    HE2  TYR  22           HE2      TYR  22   5.051  -1.713   5.896
  136    HH   TYR  22           HH       TYR  22   7.998  -1.146   7.470
  137    HA   PRO  23           HA       PRO  23   7.957   2.402  -2.292
  138    HB2  PRO  23           2HB      PRO  23  10.682   2.228  -2.215
  139    HB3  PRO  23           3HB      PRO  23   9.784   3.554  -1.454
  140    HG2  PRO  23           2HG      PRO  23  10.970   1.122  -0.205
  141    HG3  PRO  23           3HG      PRO  23  10.947   2.796   0.382
  142    HD2  PRO  23           2HD      PRO  23   9.235   0.891   1.303
  143    HD3  PRO  23           3HD      PRO  23   8.826   2.610   1.234
  144    H    THR  24           H        THR  24   6.882   0.131  -2.548
  145    HA   THR  24           HA       THR  24   8.752  -1.914  -3.480
  146    HB   THR  24           HB       THR  24   6.854  -3.427  -3.555
  147    HG1  THR  24           HG1      THR  24   5.076  -2.347  -4.126
  148   HG21  THR  24          3HG2      THR  24   6.745  -1.770  -1.029
  149   HG22  THR  24          1HG2      THR  24   7.912  -3.054  -1.361
  150   HG23  THR  24          2HG2      THR  24   6.197  -3.440  -1.206
  151    H    PHE  25           H        PHE  25   8.585  -2.857  -5.563
  152    HA   PHE  25           HA       PHE  25   7.491  -1.008  -7.555
  153    HB2  PHE  25           2HB      PHE  25   9.946  -2.604  -7.412
  154    HB3  PHE  25           3HB      PHE  25   9.133  -2.683  -8.969
  155    HD1  PHE  25           HD2      PHE  25  10.520  -0.311  -6.465
  156    HD2  PHE  25           HD1      PHE  25   9.323  -0.939 -10.504
  157    HE1  PHE  25           HE2      PHE  25  11.501   1.858  -7.093
  158    HE2  PHE  25           HE1      PHE  25  10.297   1.225 -11.135
  159    HZ   PHE  25           HZ       PHE  25  11.390   2.629  -9.430
  160    HA   PRO  26           HA       PRO  26   7.140  -0.980  -9.755
  161    HB2  PRO  26           2HB      PRO  26   4.503  -0.913 -10.918
  162    HB3  PRO  26           3HB      PRO  26   6.049  -1.223 -11.724
  163    HG2  PRO  26           2HG      PRO  26   4.084  -3.094 -11.422
  164    HG3  PRO  26           3HG      PRO  26   5.805  -3.473 -11.619
  165    HD2  PRO  26           2HD      PRO  26   4.156  -3.430  -9.130
  166    HD3  PRO  26           3HD      PRO  26   5.449  -4.549  -9.612
  167    H    GLU  27           H        GLU  27   4.115  -1.640  -8.057
  168    HA   GLU  27           HA       GLU  27   3.941   1.201  -7.322
  169    HB2  GLU  27           2HB      GLU  27   1.491   0.672  -6.822
  170    HB3  GLU  27           3HB      GLU  27   1.966   0.735  -8.511
  171    HG2  GLU  27           2HG      GLU  27   2.213  -1.837  -8.288
  172    HG3  GLU  27           3HG      GLU  27   1.222  -1.637  -6.843
  173    HA   PRO  28           HA       PRO  28   4.825   0.133  -3.086
  174    HB2  PRO  28           2HB      PRO  28   3.360   2.055  -1.766
  175    HB3  PRO  28           3HB      PRO  28   4.935   2.355  -2.536
  176    HG2  PRO  28           2HG      PRO  28   2.200   2.930  -3.557
  177    HG3  PRO  28           3HG      PRO  28   3.670   3.917  -3.656
  178    HD2  PRO  28           2HD      PRO  28   2.788   2.488  -5.752
  179    HD3  PRO  28           3HD      PRO  28   4.520   2.710  -5.434
  180    H    ILE  29           H        ILE  29   3.951  -0.728  -1.163
  181    HA   ILE  29           HA       ILE  29   1.124  -1.568  -1.318
  182    HB   ILE  29           HB       ILE  29   3.304  -3.243  -0.060
  183   HG12  ILE  29          2HG1      ILE  29   3.930  -3.119  -2.393
  184   HG13  ILE  29          3HG1      ILE  29   3.249  -4.706  -2.081
  185   HG21  ILE  29          1HG2      ILE  29   0.512  -3.965  -0.942
  186   HG22  ILE  29          2HG2      ILE  29   1.076  -3.770   0.717
  187   HG23  ILE  29          3HG2      ILE  29   1.695  -5.090  -0.275
  188   HD11  ILE  29          3HD1      ILE  29   1.189  -4.077  -3.191
  189   HD12  ILE  29          1HD1      ILE  29   2.564  -3.770  -4.252
  190   HD13  ILE  29          2HD1      ILE  29   1.778  -2.431  -3.413
  191    H    CYS  30           H        CYS  30   0.062  -1.895   0.717
  192    HA   CYS  30           HA       CYS  30   0.989  -0.059   2.773
  193    HB2  CYS  30           2HB      CYS  30  -1.610  -1.326   2.041
  194    HB3  CYS  30           3HB      CYS  30  -1.379  -0.851   3.711
  195    H    GLY  31           H        GLY  31   2.111  -0.759   4.472
  196    HA2  GLY  31           2HA      GLY  31   1.422  -3.255   5.794
  197    HA3  GLY  31           3HA      GLY  31   3.028  -3.196   5.096
  198    H    VAL  32           H        VAL  32   2.018  -3.377   7.914
  199    HA   VAL  32           HA       VAL  32   3.012  -0.910   9.109
  200    HB   VAL  32           HB       VAL  32   2.501  -2.205  11.316
  201   HG11  VAL  32          1HG1      VAL  32   0.339  -1.316  11.380
  202   HG12  VAL  32          2HG1      VAL  32   0.099  -1.536   9.651
  203   HG13  VAL  32          3HG1      VAL  32   1.204  -0.293  10.235
  204   HG21  VAL  32          3HG2      VAL  32   2.202  -4.423  10.234
  205   HG22  VAL  32          1HG2      VAL  32   0.762  -3.799   9.430
  206   HG23  VAL  32          2HG2      VAL  32   0.807  -3.919  11.187
  Start of MODEL    5
    1    H1   PCA   1           HN       PCA   1 -12.086  -2.427   1.556
    2    HA   PCA   1           HA       PCA   1 -13.803  -3.287  -0.147
    3    HB2  PCA   1           1HB      PCA   1 -15.673  -1.124   0.368
    4    HB3  PCA   1           2HB      PCA   1 -15.812  -2.766   0.212
    5    HG2  PCA   1           1HG      PCA   1 -15.804  -1.420   2.780
    6    HG3  PCA   1           2HG      PCA   1 -15.866  -3.020   2.356
    7    H    TRP   2           H        TRP   2 -12.757  -0.033   0.710
    8    HA   TRP   2           HA       TRP   2 -12.353   0.559  -2.148
    9    HB2  TRP   2           2HB      TRP   2 -13.193   2.436   0.064
   10    HB3  TRP   2           3HB      TRP   2 -12.626   2.988  -1.508
   11    HD1  TRP   2           HD1      TRP   2 -15.595   1.241   0.159
   12    HE1  TRP   2           HE1      TRP   2 -17.611   1.329  -1.436
   13    HE3  TRP   2           HE3      TRP   2 -13.283   3.161  -3.988
   14    HZ2  TRP   2           HZ2      TRP   2 -18.154   2.105  -4.091
   15    HZ3  TRP   2           HZ3      TRP   2 -14.628   3.545  -6.013
   16    HH2  TRP   2           HH2      TRP   2 -17.012   3.026  -6.060
   17    H    CYS   3           H        CYS   3 -11.123   0.880   1.121
   18    HA   CYS   3           HA       CYS   3  -8.700   2.217   0.327
   19    HB2  CYS   3           2HB      CYS   3  -8.085   2.125   2.678
   20    HB3  CYS   3           3HB      CYS   3  -9.751   2.666   2.519
   21    H    ALA   4           H        ALA   4  -6.575   1.390   0.733
   22    HA   ALA   4           HA       ALA   4  -6.271  -1.359  -0.153
   23    HB1  ALA   4           3HB      ALA   4  -3.864  -0.719  -0.331
   24    HB2  ALA   4           1HB      ALA   4  -4.292   0.882   0.280
   25    HB3  ALA   4           2HB      ALA   4  -4.948   0.320  -1.257
   26    H    GLU   5           H        GLU   5  -6.123  -2.976   1.239
   27    HA   GLU   5           HA       GLU   5  -5.415  -2.476   4.015
   28    HB2  GLU   5           2HB      GLU   5  -6.238  -4.738   4.446
   29    HB3  GLU   5           3HB      GLU   5  -7.410  -3.818   3.518
   30    HG2  GLU   5           2HG      GLU   5  -6.611  -4.983   1.471
   31    HG3  GLU   5           3HG      GLU   5  -5.579  -5.977   2.492
   32    H    GLU   6           H        GLU   6  -4.419  -5.222   4.472
   33    HA   GLU   6           HA       GLU   6  -1.633  -4.697   3.938
   34    HB2  GLU   6           2HB      GLU   6  -1.257  -6.824   5.252
   35    HB3  GLU   6           3HB      GLU   6  -2.074  -5.535   6.116
   36    HG2  GLU   6           2HG      GLU   6  -4.220  -6.668   5.772
   37    HG3  GLU   6           3HG      GLU   6  -3.395  -7.961   4.902
   38    H    GLY   7           H        GLY   7  -0.879  -5.073   1.994
   39    HA2  GLY   7           2HA      GLY   7   0.058  -6.763   0.519
   40    HA3  GLY   7           3HA      GLY   7  -1.414  -7.696   0.745
   41    H    GLU   8           H        GLU   8  -2.079  -4.413   0.442
   42    HA   GLU   8           HA       GLU   8  -2.784  -4.730  -2.402
   43    HB2  GLU   8           2HB      GLU   8  -4.110  -3.137  -0.205
   44    HB3  GLU   8           3HB      GLU   8  -4.474  -2.890  -1.905
   45    HG2  GLU   8           2HG      GLU   8  -5.031  -5.378  -1.966
   46    HG3  GLU   8           3HG      GLU   8  -5.022  -5.292  -0.206
   47    H    SER   9           H        SER   9  -2.648  -2.828  -3.747
   48    HA   SER   9           HA       SER   9  -0.279  -1.271  -3.190
   49    HB2  SER   9           2HB      SER   9  -0.657  -0.379  -5.497
   50    HB3  SER   9           3HB      SER   9  -0.553  -2.137  -5.428
   51    HG   SER   9           HG       SER   9  -2.456  -2.185  -6.286
   52    H    CYS  10           H        CYS  10  -0.196   0.751  -2.458
   53    HA   CYS  10           HA       CYS  10  -2.726   2.154  -1.995
   54    HB2  CYS  10           2HB      CYS  10  -1.533   3.477  -0.347
   55    HB3  CYS  10           3HB      CYS  10  -1.244   1.768  -0.054
   56    H    GLU  11           H        GLU  11  -1.607   2.041  -4.614
   57    HA   GLU  11           HA       GLU  11  -0.521   4.684  -5.159
   58    HB2  GLU  11           2HB      GLU  11  -0.213   3.892  -7.441
   59    HB3  GLU  11           3HB      GLU  11   0.441   2.731  -6.296
   60    HG2  GLU  11           2HG      GLU  11  -0.630   1.244  -7.614
   61    HG3  GLU  11           3HG      GLU  11  -2.030   1.702  -6.644
   62    H    VAL  12           H        VAL  12  -3.554   3.292  -4.863
   63    HA   VAL  12           HA       VAL  12  -4.792   5.434  -6.451
   64    HB   VAL  12           HB       VAL  12  -5.096   3.248  -7.564
   65   HG11  VAL  12          1HG1      VAL  12  -5.199   1.507  -6.113
   66   HG12  VAL  12          2HG1      VAL  12  -6.928   1.755  -6.362
   67   HG13  VAL  12          3HG1      VAL  12  -6.142   2.405  -4.924
   68   HG21  VAL  12          3HG2      VAL  12  -7.600   3.322  -7.752
   69   HG22  VAL  12          1HG2      VAL  12  -6.758   4.845  -8.036
   70   HG23  VAL  12          2HG2      VAL  12  -7.574   4.565  -6.500
   71    H    TYR  13           H        TYR  13  -4.984   3.332  -3.620
   72    HA   TYR  13           HA       TYR  13  -6.542   5.396  -2.242
   73    HB2  TYR  13           2HB      TYR  13  -7.199   2.487  -2.494
   74    HB3  TYR  13           3HB      TYR  13  -7.591   3.331  -1.016
   75    HD1  TYR  13           HD2      TYR  13  -8.195   3.303  -4.668
   76    HD2  TYR  13           HD1      TYR  13  -9.473   4.758  -0.877
   77    HE1  TYR  13           HE2      TYR  13 -10.261   4.146  -5.696
   78    HE2  TYR  13           HE1      TYR  13 -11.546   5.600  -1.897
   79    HH   TYR  13           HH       TYR  13 -12.552   4.727  -5.016
   80    HA   PRO  14           HA       PRO  14  -3.552   4.970   1.032
   81    HB2  PRO  14           2HB      PRO  14  -5.075   5.597   3.214
   82    HB3  PRO  14           3HB      PRO  14  -4.556   6.808   2.024
   83    HG2  PRO  14           2HG      PRO  14  -7.184   5.421   2.279
   84    HG3  PRO  14           3HG      PRO  14  -6.839   7.130   1.940
   85    HD2  PRO  14           2HD      PRO  14  -7.505   5.384  -0.001
   86    HD3  PRO  14           3HD      PRO  14  -6.399   6.734  -0.281
   87    H    CYS  15           H        CYS  15  -3.590   4.054   3.527
   88    HA   CYS  15           HA       CYS  15  -4.138   1.231   3.242
   89    HB2  CYS  15           2HB      CYS  15  -3.002   2.689   5.633
   90    HB3  CYS  15           3HB      CYS  15  -2.963   0.964   5.343
   91    H    CYS  16           H        CYS  16  -5.042   0.141   5.412
   92    HA   CYS  16           HA       CYS  16  -7.577   1.526   5.977
   93    HB2  CYS  16           2HB      CYS  16  -7.100  -1.451   5.914
   94    HB3  CYS  16           3HB      CYS  16  -8.650  -0.644   6.132
   95    H    ASP  17           H        ASP  17  -5.419  -0.937   7.433
   96    HA   ASP  17           HA       ASP  17  -6.469  -0.367  10.079
   97    HB2  ASP  17           2HB      ASP  17  -4.451  -2.357   9.045
   98    HB3  ASP  17           3HB      ASP  17  -4.802  -2.170  10.759
   99    H    GLY  18           H        GLY  18  -4.540   1.444   8.374
  100    HA2  GLY  18           2HA      GLY  18  -3.217   3.223   9.150
  101    HA3  GLY  18           3HA      GLY  18  -3.017   2.379  10.679
  102    H    LEU  19           H        LEU  19  -2.447   1.035   7.487
  103    HA   LEU  19           HA       LEU  19   0.201   0.173   8.191
  104    HB2  LEU  19           2HB      LEU  19  -1.231   0.000   5.550
  105    HB3  LEU  19           3HB      LEU  19   0.184  -0.914   6.010
  106    HG   LEU  19           HG       LEU  19  -2.209  -1.247   7.735
  107   HD11  LEU  19          1HD1      LEU  19  -3.201  -1.218   5.485
  108   HD12  LEU  19          2HD1      LEU  19  -3.271  -2.816   6.226
  109   HD13  LEU  19          3HD1      LEU  19  -2.068  -2.476   4.984
  110   HD21  LEU  19          3HD2      LEU  19  -1.264  -3.228   8.241
  111   HD22  LEU  19          1HD2      LEU  19   0.191  -2.452   7.623
  112   HD23  LEU  19          2HD2      LEU  19  -0.742  -3.527   6.585
  113    H    ILE  20           H        ILE  20   2.016   0.460   6.621
  114    HA   ILE  20           HA       ILE  20   2.205   3.280   5.796
  115    HB   ILE  20           HB       ILE  20   4.413   1.329   6.527
  116   HG12  ILE  20          2HG1      ILE  20   4.098   3.855   8.026
  117   HG13  ILE  20          3HG1      ILE  20   2.787   2.699   8.239
  118   HG21  ILE  20          1HG2      ILE  20   4.531   4.146   5.475
  119   HG22  ILE  20          2HG2      ILE  20   5.407   2.717   4.920
  120   HG23  ILE  20          3HG2      ILE  20   5.837   3.475   6.457
  121   HD11  ILE  20          3HD1      ILE  20   4.400   1.005   8.943
  122   HD12  ILE  20          1HD1      ILE  20   4.473   2.443   9.963
  123   HD13  ILE  20          2HD1      ILE  20   5.709   2.169   8.734
  124    H    CYS  21           H        CYS  21   2.979   3.818   3.782
  125    HA   CYS  21           HA       CYS  21   2.704   1.822   1.706
  126    HB2  CYS  21           2HB      CYS  21   3.127   4.798   1.760
  127    HB3  CYS  21           3HB      CYS  21   3.317   3.897   0.257
  128    H    TYR  22           H        TYR  22   4.350   0.465   1.513
  129    HA   TYR  22           HA       TYR  22   7.080   1.243   1.951
  130    HB2  TYR  22           2HB      TYR  22   5.667  -1.306   1.289
  131    HB3  TYR  22           3HB      TYR  22   7.411  -1.201   1.062
  132    HD1  TYR  22           HD1      TYR  22   8.901  -0.958   2.957
  133    HD2  TYR  22           HD2      TYR  22   4.698  -1.282   3.516
  134    HE1  TYR  22           HE1      TYR  22   9.263  -1.420   5.344
  135    HE2  TYR  22           HE2      TYR  22   5.046  -1.748   5.907
  136    HH   TYR  22           HH       TYR  22   6.819  -2.608   7.377
  137    HA   PRO  23           HA       PRO  23   7.998   2.342  -2.273
  138    HB2  PRO  23           2HB      PRO  23  10.721   2.133  -2.192
  139    HB3  PRO  23           3HB      PRO  23   9.838   3.468  -1.429
  140    HG2  PRO  23           2HG      PRO  23  10.990   1.018  -0.186
  141    HG3  PRO  23           3HG      PRO  23  10.989   2.691   0.406
  142    HD2  PRO  23           2HD      PRO  23   9.251   0.804   1.317
  143    HD3  PRO  23           3HD      PRO  23   8.863   2.528   1.254
  144    H    THR  24           H        THR  24   6.894   0.093  -2.545
  145    HA   THR  24           HA       THR  24   8.736  -1.979  -3.476
  146    HB   THR  24           HB       THR  24   6.820  -3.466  -3.555
  147    HG1  THR  24           HG1      THR  24   5.047  -1.585  -2.510
  148   HG21  THR  24          3HG2      THR  24   7.876  -3.085  -1.354
  149   HG22  THR  24          1HG2      THR  24   6.163  -3.483  -1.214
  150   HG23  THR  24          2HG2      THR  24   6.699  -1.811  -1.030
  151    H    PHE  25           H        PHE  25   8.558  -2.914  -5.562
  152    HA   PHE  25           HA       PHE  25   7.496  -1.044  -7.551
  153    HB2  PHE  25           2HB      PHE  25   9.929  -2.675  -7.406
  154    HB3  PHE  25           3HB      PHE  25   9.118  -2.739  -8.964
  155    HD1  PHE  25           HD2      PHE  25  10.535  -0.393  -6.453
  156    HD2  PHE  25           HD1      PHE  25   9.333  -0.994 -10.496
  157    HE1  PHE  25           HE2      PHE  25  11.545   1.764  -7.074
  158    HE2  PHE  25           HE1      PHE  25  10.338   1.160 -11.119
  159    HZ   PHE  25           HZ       PHE  25  11.448   2.543  -9.409
  160    HA   PRO  26           HA       PRO  26   7.148  -1.005  -9.749
  161    HB2  PRO  26           2HB      PRO  26   4.514  -0.899 -10.915
  162    HB3  PRO  26           3HB      PRO  26   6.057  -1.227 -11.721
  163    HG2  PRO  26           2HG      PRO  26   4.067  -3.072 -11.426
  164    HG3  PRO  26           3HG      PRO  26   5.782  -3.473 -11.625
  165    HD2  PRO  26           2HD      PRO  26   4.131  -3.417  -9.137
  166    HD3  PRO  26           3HD      PRO  26   5.410  -4.552  -9.621
  167    H    GLU  27           H        GLU  27   4.110  -1.630  -8.060
  168    HA   GLU  27           HA       GLU  27   3.970   1.211  -7.316
  169    HB2  GLU  27           2HB      GLU  27   1.515   0.713  -6.824
  170    HB3  GLU  27           3HB      GLU  27   1.992   0.770  -8.510
  171    HG2  GLU  27           2HG      GLU  27   2.212  -1.808  -8.276
  172    HG3  GLU  27           3HG      GLU  27   1.205  -1.589  -6.847
  173    HA   PRO  28           HA       PRO  28   4.839   0.124  -3.081
  174    HB2  PRO  28           2HB      PRO  28   3.397   2.063  -1.761
  175    HB3  PRO  28           3HB      PRO  28   4.978   2.343  -2.524
  176    HG2  PRO  28           2HG      PRO  28   2.254   2.959  -3.552
  177    HG3  PRO  28           3HG      PRO  28   3.741   3.924  -3.648
  178    HD2  PRO  28           2HD      PRO  28   2.841   2.512  -5.746
  179    HD3  PRO  28           3HD      PRO  28   4.575   2.708  -5.425
  180    H    ILE  29           H        ILE  29   3.953  -0.731  -1.165
  181    HA   ILE  29           HA       ILE  29   1.116  -1.536  -1.325
  182    HB   ILE  29           HB       ILE  29   3.275  -3.236  -0.060
  183   HG12  ILE  29          2HG1      ILE  29   3.904  -3.128  -2.390
  184   HG13  ILE  29          3HG1      ILE  29   3.192  -4.702  -2.080
  185   HG21  ILE  29          1HG2      ILE  29   1.041  -3.736   0.719
  186   HG22  ILE  29          2HG2      ILE  29   1.644  -5.063  -0.273
  187   HG23  ILE  29          3HG2      ILE  29   0.473  -3.926  -0.941
  188   HD11  ILE  29          3HD1      ILE  29   2.533  -3.740  -4.254
  189   HD12  ILE  29          1HD1      ILE  29   1.762  -2.397  -3.407
  190   HD13  ILE  29          2HD1      ILE  29   1.152  -4.039  -3.201
  191    H    CYS  30           H        CYS  30   0.046  -1.852   0.705
  192    HA   CYS  30           HA       CYS  30   0.984  -0.026   2.766
  193    HB2  CYS  30           2HB      CYS  30  -1.626  -1.257   2.010
  194    HB3  CYS  30           3HB      CYS  30  -1.402  -0.803   3.688
  195    H    GLY  31           H        GLY  31   2.088  -0.740   4.470
  196    HA2  GLY  31           2HA      GLY  31   1.358  -3.217   5.801
  197    HA3  GLY  31           3HA      GLY  31   2.960  -3.200   5.091
  198    H    VAL  32           H        VAL  32   1.978  -3.347   7.917
  199    HA   VAL  32           HA       VAL  32   3.033  -0.896   9.089
  200    HB   VAL  32           HB       VAL  32   2.520  -2.169  11.308
  201   HG11  VAL  32          1HG1      VAL  32   0.383  -1.227  11.397
  202   HG12  VAL  32          2HG1      VAL  32   0.109  -1.463   9.675
  203   HG13  VAL  32          3HG1      VAL  32   1.249  -0.237  10.224
  204   HG21  VAL  32          3HG2      VAL  32   0.727  -3.736   9.451
  205   HG22  VAL  32          1HG2      VAL  32   0.787  -3.846  11.211
  206   HG23  VAL  32          2HG2      VAL  32   2.162  -4.386  10.245
  Start of MODEL    6
    1    H1   PCA   1           HN       PCA   1 -14.592  -3.425  -0.782
    2    HA   PCA   1           HA       PCA   1 -14.121  -1.748   1.100
    3    HB2  PCA   1           1HB      PCA   1 -11.306  -2.427   1.272
    4    HB3  PCA   1           2HB      PCA   1 -12.518  -2.221   2.380
    5    HG2  PCA   1           1HG      PCA   1 -11.585  -4.830   1.520
    6    HG3  PCA   1           2HG      PCA   1 -12.786  -4.356   2.558
    7    H    TRP   2           H        TRP   2 -13.248   0.292   0.703
    8    HA   TRP   2           HA       TRP   2 -12.473   0.802  -2.042
    9    HB2  TRP   2           2HB      TRP   2 -12.987   2.799   0.164
   10    HB3  TRP   2           3HB      TRP   2 -12.897   3.132  -1.562
   11    HD1  TRP   2           HD1      TRP   2 -14.965   2.134  -3.072
   12    HE1  TRP   2           HE1      TRP   2 -17.441   1.790  -2.457
   13    HE3  TRP   2           HE3      TRP   2 -14.537   2.205   2.009
   14    HZ2  TRP   2           HZ2      TRP   2 -19.005   1.573  -0.113
   15    HZ3  TRP   2           HZ3      TRP   2 -16.569   1.922   3.373
   16    HH2  TRP   2           HH2      TRP   2 -18.756   1.611   2.331
   17    H    CYS   3           H        CYS   3 -11.142   1.061   1.189
   18    HA   CYS   3           HA       CYS   3  -8.736   2.387   0.342
   19    HB2  CYS   3           2HB      CYS   3  -8.057   2.261   2.681
   20    HB3  CYS   3           3HB      CYS   3  -9.710   2.850   2.555
   21    H    ALA   4           H        ALA   4  -6.598   1.529   0.679
   22    HA   ALA   4           HA       ALA   4  -6.362  -1.215  -0.224
   23    HB1  ALA   4           3HB      ALA   4  -3.991  -0.673  -0.531
   24    HB2  ALA   4           1HB      ALA   4  -4.243   0.883   0.265
   25    HB3  ALA   4           2HB      ALA   4  -5.026   0.546  -1.278
   26    H    GLU   5           H        GLU   5  -6.156  -2.875   1.117
   27    HA   GLU   5           HA       GLU   5  -5.491  -2.425   3.910
   28    HB2  GLU   5           2HB      GLU   5  -6.270  -4.715   4.280
   29    HB3  GLU   5           3HB      GLU   5  -7.453  -3.791   3.369
   30    HG2  GLU   5           2HG      GLU   5  -6.561  -4.884   1.294
   31    HG3  GLU   5           3HG      GLU   5  -5.601  -5.927   2.336
   32    H    GLU   6           H        GLU   6  -4.456  -5.129   4.363
   33    HA   GLU   6           HA       GLU   6  -1.669  -4.573   3.848
   34    HB2  GLU   6           2HB      GLU   6  -1.271  -6.640   5.234
   35    HB3  GLU   6           3HB      GLU   6  -2.132  -5.349   6.049
   36    HG2  GLU   6           2HG      GLU   6  -4.243  -6.544   5.708
   37    HG3  GLU   6           3HG      GLU   6  -3.376  -7.840   4.887
   38    H    GLY   7           H        GLY   7  -0.739  -5.106   2.030
   39    HA2  GLY   7           2HA      GLY   7   0.185  -6.821   0.618
   40    HA3  GLY   7           3HA      GLY   7  -1.290  -7.749   0.844
   41    H    GLU   8           H        GLU   8  -2.040  -4.525   0.389
   42    HA   GLU   8           HA       GLU   8  -2.538  -4.936  -2.487
   43    HB2  GLU   8           2HB      GLU   8  -4.166  -3.508  -0.386
   44    HB3  GLU   8           3HB      GLU   8  -4.406  -3.215  -2.101
   45    HG2  GLU   8           2HG      GLU   8  -4.550  -5.978  -0.943
   46    HG3  GLU   8           3HG      GLU   8  -5.939  -4.894  -0.942
   47    H    SER   9           H        SER   9  -2.547  -2.978  -3.815
   48    HA   SER   9           HA       SER   9  -0.275  -1.314  -3.214
   49    HB2  SER   9           2HB      SER   9  -0.724  -0.358  -5.479
   50    HB3  SER   9           3HB      SER   9  -0.530  -2.108  -5.472
   51    HG   SER   9           HG       SER   9  -2.329  -1.476  -6.721
   52    H    CYS  10           H        CYS  10  -0.232   0.714  -2.512
   53    HA   CYS  10           HA       CYS  10  -2.797   2.044  -1.988
   54    HB2  CYS  10           2HB      CYS  10  -1.611   3.360  -0.315
   55    HB3  CYS  10           3HB      CYS  10  -1.324   1.646  -0.046
   56    H    GLU  11           H        GLU  11  -1.587   1.999  -4.611
   57    HA   GLU  11           HA       GLU  11  -0.529   4.660  -5.081
   58    HB2  GLU  11           2HB      GLU  11  -0.251   3.939  -7.397
   59    HB3  GLU  11           3HB      GLU  11   0.428   2.759  -6.291
   60    HG2  GLU  11           2HG      GLU  11  -0.648   1.288  -7.619
   61    HG3  GLU  11           3HG      GLU  11  -2.044   1.721  -6.631
   62    H    VAL  12           H        VAL  12  -3.582   3.285  -4.854
   63    HA   VAL  12           HA       VAL  12  -4.779   5.465  -6.422
   64    HB   VAL  12           HB       VAL  12  -5.126   3.273  -7.513
   65   HG11  VAL  12          1HG1      VAL  12  -7.004   1.845  -6.291
   66   HG12  VAL  12          2HG1      VAL  12  -6.187   2.484  -4.863
   67   HG13  VAL  12          3HG1      VAL  12  -5.282   1.548  -6.050
   68   HG21  VAL  12          3HG2      VAL  12  -6.746   4.907  -8.007
   69   HG22  VAL  12          1HG2      VAL  12  -7.577   4.659  -6.471
   70   HG23  VAL  12          2HG2      VAL  12  -7.624   3.406  -7.712
   71    H    TYR  13           H        TYR  13  -4.966   3.417  -3.566
   72    HA   TYR  13           HA       TYR  13  -6.484   5.511  -2.196
   73    HB2  TYR  13           2HB      TYR  13  -7.215   2.619  -2.436
   74    HB3  TYR  13           3HB      TYR  13  -7.577   3.474  -0.958
   75    HD1  TYR  13           HD2      TYR  13  -8.204   3.455  -4.605
   76    HD2  TYR  13           HD1      TYR  13  -9.425   4.948  -0.810
   77    HE1  TYR  13           HE2      TYR  13 -10.254   4.343  -5.624
   78    HE2  TYR  13           HE1      TYR  13 -11.481   5.838  -1.819
   79    HH   TYR  13           HH       TYR  13 -12.525   4.982  -4.932
   80    HA   PRO  14           HA       PRO  14  -3.492   5.007   1.068
   81    HB2  PRO  14           2HB      PRO  14  -4.985   5.659   3.262
   82    HB3  PRO  14           3HB      PRO  14  -4.449   6.863   2.075
   83    HG2  PRO  14           2HG      PRO  14  -7.105   5.529   2.338
   84    HG3  PRO  14           3HG      PRO  14  -6.727   7.233   2.010
   85    HD2  PRO  14           2HD      PRO  14  -7.442   5.517   0.059
   86    HD3  PRO  14           3HD      PRO  14  -6.304   6.843  -0.216
   87    H    CYS  15           H        CYS  15  -3.529   4.072   3.554
   88    HA   CYS  15           HA       CYS  15  -4.135   1.263   3.250
   89    HB2  CYS  15           2HB      CYS  15  -2.959   2.684   5.643
   90    HB3  CYS  15           3HB      CYS  15  -2.957   0.959   5.346
   91    H    CYS  16           H        CYS  16  -5.042   0.170   5.418
   92    HA   CYS  16           HA       CYS  16  -7.543   1.597   6.027
   93    HB2  CYS  16           2HB      CYS  16  -7.152  -1.389   5.885
   94    HB3  CYS  16           3HB      CYS  16  -8.676  -0.542   6.125
   95    H    ASP  17           H        ASP  17  -5.445  -0.966   7.393
   96    HA   ASP  17           HA       ASP  17  -6.464  -0.469  10.062
   97    HB2  ASP  17           2HB      ASP  17  -4.463  -2.435   8.950
   98    HB3  ASP  17           3HB      ASP  17  -4.806  -2.305  10.671
   99    H    GLY  18           H        GLY  18  -4.530   1.390   8.412
  100    HA2  GLY  18           2HA      GLY  18  -3.196   3.133   9.250
  101    HA3  GLY  18           3HA      GLY  18  -2.990   2.230  10.743
  102    H    LEU  19           H        LEU  19  -2.452   0.965   7.517
  103    HA   LEU  19           HA       LEU  19   0.212   0.106   8.171
  104    HB2  LEU  19           2HB      LEU  19  -1.246  -0.033   5.543
  105    HB3  LEU  19           3HB      LEU  19   0.172  -0.952   5.982
  106    HG   LEU  19           HG       LEU  19  -2.193  -1.319   7.730
  107   HD11  LEU  19          1HD1      LEU  19  -3.318  -2.822   6.214
  108   HD12  LEU  19          2HD1      LEU  19  -2.128  -2.500   4.954
  109   HD13  LEU  19          3HD1      LEU  19  -3.221  -1.220   5.487
  110   HD21  LEU  19          3HD2      LEU  19  -1.286  -3.364   8.109
  111   HD22  LEU  19          1HD2      LEU  19   0.175  -2.523   7.596
  112   HD23  LEU  19          2HD2      LEU  19  -0.707  -3.540   6.454
  113    H    ILE  20           H        ILE  20   2.002   0.432   6.575
  114    HA   ILE  20           HA       ILE  20   2.141   3.263   5.772
  115    HB   ILE  20           HB       ILE  20   4.392   1.364   6.508
  116   HG12  ILE  20          2HG1      ILE  20   4.024   3.878   8.010
  117   HG13  ILE  20          3HG1      ILE  20   2.729   2.705   8.213
  118   HG21  ILE  20          1HG2      ILE  20   4.439   4.171   5.433
  119   HG22  ILE  20          2HG2      ILE  20   5.376   2.766   4.919
  120   HG23  ILE  20          3HG2      ILE  20   5.750   3.564   6.450
  121   HD11  ILE  20          3HD1      ILE  20   4.357   1.032   8.925
  122   HD12  ILE  20          1HD1      ILE  20   4.413   2.469   9.945
  123   HD13  ILE  20          2HD1      ILE  20   5.655   2.209   8.720
  124    H    CYS  21           H        CYS  21   2.894   3.818   3.759
  125    HA   CYS  21           HA       CYS  21   2.669   1.817   1.684
  126    HB2  CYS  21           2HB      CYS  21   3.021   4.801   1.737
  127    HB3  CYS  21           3HB      CYS  21   3.227   3.904   0.234
  128    H    TYR  22           H        TYR  22   4.346   0.494   1.509
  129    HA   TYR  22           HA       TYR  22   7.057   1.341   1.935
  130    HB2  TYR  22           2HB      TYR  22   5.709  -1.250   1.290
  131    HB3  TYR  22           3HB      TYR  22   7.451  -1.101   1.079
  132    HD1  TYR  22           HD2      TYR  22   8.915  -0.781   2.992
  133    HD2  TYR  22           HD1      TYR  22   4.719  -1.254   3.505
  134    HE1  TYR  22           HE2      TYR  22   9.264  -1.213   5.387
  135    HE2  TYR  22           HE1      TYR  22   5.055  -1.688   5.902
  136    HH   TYR  22           HH       TYR  22   7.992  -1.081   7.488
  137    HA   PRO  23           HA       PRO  23   7.949   2.412  -2.302
  138    HB2  PRO  23           2HB      PRO  23  10.675   2.247  -2.227
  139    HB3  PRO  23           3HB      PRO  23   9.774   3.575  -1.473
  140    HG2  PRO  23           2HG      PRO  23  10.967   1.153  -0.212
  141    HG3  PRO  23           3HG      PRO  23  10.942   2.832   0.366
  142    HD2  PRO  23           2HD      PRO  23   9.235   0.927   1.301
  143    HD3  PRO  23           3HD      PRO  23   8.822   2.646   1.220
  144    H    THR  24           H        THR  24   6.881   0.131  -2.536
  145    HA   THR  24           HA       THR  24   8.760  -1.913  -3.457
  146    HB   THR  24           HB       THR  24   6.865  -3.431  -3.521
  147    HG1  THR  24           HG1      THR  24   4.987  -2.547  -3.934
  148   HG21  THR  24          3HG2      THR  24   7.932  -3.032  -1.330
  149   HG22  THR  24          1HG2      THR  24   6.223  -3.440  -1.171
  150   HG23  THR  24          2HG2      THR  24   6.748  -1.763  -1.002
  151    H    PHE  25           H        PHE  25   8.570  -2.890  -5.530
  152    HA   PHE  25           HA       PHE  25   7.461  -1.066  -7.539
  153    HB2  PHE  25           2HB      PHE  25   9.940  -2.621  -7.385
  154    HB3  PHE  25           3HB      PHE  25   9.123  -2.743  -8.936
  155    HD1  PHE  25           HD2      PHE  25  10.483  -0.303  -6.484
  156    HD2  PHE  25           HD1      PHE  25   9.271  -1.024 -10.503
  157    HE1  PHE  25           HE2      PHE  25  11.423   1.870  -7.157
  158    HE2  PHE  25           HE1      PHE  25  10.205   1.146 -11.179
  159    HZ   PHE  25           HZ       PHE  25  11.284   2.597  -9.507
  160    HA   PRO  26           HA       PRO  26   7.096  -1.076  -9.750
  161    HB2  PRO  26           2HB      PRO  26   4.424  -1.052 -10.850
  162    HB3  PRO  26           3HB      PRO  26   5.957  -1.323 -11.692
  163    HG2  PRO  26           2HG      PRO  26   4.049  -3.240 -11.353
  164    HG3  PRO  26           3HG      PRO  26   5.775  -3.579 -11.577
  165    HD2  PRO  26           2HD      PRO  26   4.162  -3.574  -9.065
  166    HD3  PRO  26           3HD      PRO  26   5.477  -4.660  -9.562
  167    H    GLU  27           H        GLU  27   4.028  -1.700  -8.064
  168    HA   GLU  27           HA       GLU  27   3.922   1.140  -7.325
  169    HB2  GLU  27           2HB      GLU  27   1.497   0.761  -6.833
  170    HB3  GLU  27           3HB      GLU  27   1.934   0.598  -8.524
  171    HG2  GLU  27           2HG      GLU  27   1.765  -1.830  -6.788
  172    HG3  GLU  27           3HG      GLU  27   0.296  -1.096  -7.427
  173    HA   PRO  28           HA       PRO  28   4.828   0.133  -3.080
  174    HB2  PRO  28           2HB      PRO  28   3.361   2.063  -1.774
  175    HB3  PRO  28           3HB      PRO  28   4.932   2.362  -2.549
  176    HG2  PRO  28           2HG      PRO  28   2.193   2.918  -3.568
  177    HG3  PRO  28           3HG      PRO  28   3.661   3.907  -3.686
  178    HD2  PRO  28           2HD      PRO  28   2.771   2.453  -5.761
  179    HD3  PRO  28           3HD      PRO  28   4.503   2.684  -5.454
  180    H    ILE  29           H        ILE  29   3.962  -0.735  -1.157
  181    HA   ILE  29           HA       ILE  29   1.132  -1.564  -1.307
  182    HB   ILE  29           HB       ILE  29   3.302  -3.249  -0.048
  183   HG12  ILE  29          2HG1      ILE  29   3.933  -3.117  -2.379
  184   HG13  ILE  29          3HG1      ILE  29   3.253  -4.705  -2.072
  185   HG21  ILE  29          1HG2      ILE  29   0.508  -3.950  -0.941
  186   HG22  ILE  29          2HG2      ILE  29   1.070  -3.768   0.720
  187   HG23  ILE  29          3HG2      ILE  29   1.681  -5.087  -0.278
  188   HD11  ILE  29          3HD1      ILE  29   1.202  -4.085  -3.195
  189   HD12  ILE  29          1HD1      ILE  29   2.578  -3.747  -4.245
  190   HD13  ILE  29          2HD1      ILE  29   1.773  -2.428  -3.392
  191    H    CYS  30           H        CYS  30   0.066  -1.878   0.720
  192    HA   CYS  30           HA       CYS  30   0.995  -0.046   2.778
  193    HB2  CYS  30           2HB      CYS  30  -1.604  -1.313   2.038
  194    HB3  CYS  30           3HB      CYS  30  -1.377  -0.845   3.711
  195    H    GLY  31           H        GLY  31   2.118  -0.749   4.478
  196    HA2  GLY  31           2HA      GLY  31   1.428  -3.244   5.798
  197    HA3  GLY  31           3HA      GLY  31   3.036  -3.179   5.104
  198    H    VAL  32           H        VAL  32   2.013  -3.362   7.921
  199    HA   VAL  32           HA       VAL  32   2.998  -0.896   9.119
  200    HB   VAL  32           HB       VAL  32   2.487  -2.191  11.324
  201   HG11  VAL  32          1HG1      VAL  32   1.183  -0.288  10.245
  202   HG12  VAL  32          2HG1      VAL  32   0.319  -1.317  11.383
  203   HG13  VAL  32          3HG1      VAL  32   0.087  -1.536   9.651
  204   HG21  VAL  32          3HG2      VAL  32   0.790  -3.909  11.188
  205   HG22  VAL  32          1HG2      VAL  32   2.206  -4.412  10.261
  206   HG23  VAL  32          2HG2      VAL  32   0.775  -3.803   9.427
  Start of MODEL    7
    1    H1   PCA   1           HN       PCA   1 -15.357  -2.934   0.178
    2    HA   PCA   1           HA       PCA   1 -14.405  -1.066   1.655
    3    HB2  PCA   1           1HB      PCA   1 -11.778  -2.285   1.843
    4    HB3  PCA   1           2HB      PCA   1 -12.824  -1.611   2.935
    5    HG2  PCA   1           1HG      PCA   1 -12.514  -4.477   2.598
    6    HG3  PCA   1           2HG      PCA   1 -13.505  -3.564   3.563
    7    H    TRP   2           H        TRP   2 -13.173   0.624   0.824
    8    HA   TRP   2           HA       TRP   2 -12.327   0.290  -1.971
    9    HB2  TRP   2           2HB      TRP   2 -13.191   2.721  -0.404
   10    HB3  TRP   2           3HB      TRP   2 -12.471   2.825  -2.008
   11    HD1  TRP   2           HD1      TRP   2 -15.705   1.984  -0.230
   12    HE1  TRP   2           HE1      TRP   2 -17.565   1.612  -1.967
   13    HE3  TRP   2           HE3      TRP   2 -12.860   1.950  -4.491
   14    HZ2  TRP   2           HZ2      TRP   2 -17.801   1.339  -4.764
   15    HZ3  TRP   2           HZ3      TRP   2 -13.987   1.626  -6.653
   16    HH2  TRP   2           HH2      TRP   2 -16.407   1.327  -6.784
   17    H    CYS   3           H        CYS   3 -11.104   0.886   1.174
   18    HA   CYS   3           HA       CYS   3  -8.692   2.225   0.354
   19    HB2  CYS   3           2HB      CYS   3  -8.053   2.129   2.702
   20    HB3  CYS   3           3HB      CYS   3  -9.714   2.689   2.549
   21    H    ALA   4           H        ALA   4  -6.561   1.396   0.732
   22    HA   ALA   4           HA       ALA   4  -6.273  -1.357  -0.147
   23    HB1  ALA   4           3HB      ALA   4  -4.948   0.274  -1.282
   24    HB2  ALA   4           1HB      ALA   4  -3.849  -0.707  -0.311
   25    HB3  ALA   4           2HB      ALA   4  -4.315   0.908   0.235
   26    H    GLU   5           H        GLU   5  -6.127  -2.970   1.250
   27    HA   GLU   5           HA       GLU   5  -5.395  -2.472   4.017
   28    HB2  GLU   5           2HB      GLU   5  -6.218  -4.730   4.457
   29    HB3  GLU   5           3HB      GLU   5  -7.393  -3.810   3.535
   30    HG2  GLU   5           2HG      GLU   5  -6.623  -4.979   1.486
   31    HG3  GLU   5           3HG      GLU   5  -5.566  -5.966   2.490
   32    H    GLU   6           H        GLU   6  -4.404  -5.223   4.465
   33    HA   GLU   6           HA       GLU   6  -1.618  -4.702   3.929
   34    HB2  GLU   6           2HB      GLU   6  -1.242  -6.832   5.238
   35    HB3  GLU   6           3HB      GLU   6  -2.059  -5.545   6.105
   36    HG2  GLU   6           2HG      GLU   6  -4.205  -6.676   5.760
   37    HG3  GLU   6           3HG      GLU   6  -3.379  -7.966   4.886
   38    H    GLY   7           H        GLY   7  -0.859  -5.079   1.987
   39    HA2  GLY   7           2HA      GLY   7   0.074  -6.761   0.506
   40    HA3  GLY   7           3HA      GLY   7  -1.391  -7.702   0.737
   41    H    GLU   8           H        GLU   8  -2.077  -4.423   0.432
   42    HA   GLU   8           HA       GLU   8  -2.800  -4.755  -2.407
   43    HB2  GLU   8           2HB      GLU   8  -4.102  -3.144  -0.209
   44    HB3  GLU   8           3HB      GLU   8  -4.481  -2.908  -1.906
   45    HG2  GLU   8           2HG      GLU   8  -5.039  -5.401  -1.940
   46    HG3  GLU   8           3HG      GLU   8  -5.026  -5.292  -0.181
   47    H    SER   9           H        SER   9  -2.677  -2.858  -3.764
   48    HA   SER   9           HA       SER   9  -0.304  -1.294  -3.233
   49    HB2  SER   9           2HB      SER   9  -0.666  -0.435  -5.538
   50    HB3  SER   9           3HB      SER   9  -0.623  -2.194  -5.465
   51    HG   SER   9           HG       SER   9  -3.129  -1.081  -5.172
   52    H    CYS  10           H        CYS  10  -0.203   0.789  -2.631
   53    HA   CYS  10           HA       CYS  10  -2.755   2.155  -2.126
   54    HB2  CYS  10           2HB      CYS  10  -1.586   3.470  -0.451
   55    HB3  CYS  10           3HB      CYS  10  -1.311   1.758  -0.163
   56    H    GLU  11           H        GLU  11  -1.755   2.117  -4.741
   57    HA   GLU  11           HA       GLU  11  -0.590   4.741  -5.226
   58    HB2  GLU  11           2HB      GLU  11  -0.377   4.034  -7.554
   59    HB3  GLU  11           3HB      GLU  11   0.314   2.838  -6.468
   60    HG2  GLU  11           2HG      GLU  11  -1.284   1.263  -6.963
   61    HG3  GLU  11           3HG      GLU  11  -2.495   2.468  -7.397
   62    H    VAL  12           H        VAL  12  -3.653   3.418  -4.912
   63    HA   VAL  12           HA       VAL  12  -4.863   5.669  -6.366
   64    HB   VAL  12           HB       VAL  12  -5.276   3.581  -7.605
   65   HG11  VAL  12          1HG1      VAL  12  -7.080   2.036  -6.423
   66   HG12  VAL  12          2HG1      VAL  12  -6.212   2.569  -4.983
   67   HG13  VAL  12          3HG1      VAL  12  -5.348   1.744  -6.277
   68   HG21  VAL  12          3HG2      VAL  12  -7.710   4.813  -6.335
   69   HG22  VAL  12          1HG2      VAL  12  -7.769   3.712  -7.711
   70   HG23  VAL  12          2HG2      VAL  12  -6.937   5.259  -7.855
   71    H    TYR  13           H        TYR  13  -5.066   3.425  -3.646
   72    HA   TYR  13           HA       TYR  13  -6.577   5.451  -2.158
   73    HB2  TYR  13           2HB      TYR  13  -7.222   2.546  -2.481
   74    HB3  TYR  13           3HB      TYR  13  -7.589   3.345  -0.972
   75    HD1  TYR  13           HD2      TYR  13  -8.282   3.384  -4.607
   76    HD2  TYR  13           HD1      TYR  13  -9.458   4.796  -0.765
   77    HE1  TYR  13           HE2      TYR  13 -10.371   4.249  -5.569
   78    HE2  TYR  13           HE1      TYR  13 -11.549   5.663  -1.720
   79    HH   TYR  13           HH       TYR  13 -12.641   4.833  -4.822
   80    HA   PRO  14           HA       PRO  14  -3.521   4.951   1.042
   81    HB2  PRO  14           2HB      PRO  14  -4.995   5.571   3.253
   82    HB3  PRO  14           3HB      PRO  14  -4.501   6.790   2.061
   83    HG2  PRO  14           2HG      PRO  14  -7.124   5.399   2.360
   84    HG3  PRO  14           3HG      PRO  14  -6.788   7.113   2.035
   85    HD2  PRO  14           2HD      PRO  14  -7.492   5.386   0.088
   86    HD3  PRO  14           3HD      PRO  14  -6.394   6.743  -0.200
   87    H    CYS  15           H        CYS  15  -3.606   4.045   3.570
   88    HA   CYS  15           HA       CYS  15  -4.136   1.216   3.264
   89    HB2  CYS  15           2HB      CYS  15  -2.999   2.669   5.658
   90    HB3  CYS  15           3HB      CYS  15  -2.958   0.945   5.362
   91    H    CYS  16           H        CYS  16  -5.035   0.122   5.435
   92    HA   CYS  16           HA       CYS  16  -7.565   1.508   6.016
   93    HB2  CYS  16           2HB      CYS  16  -7.098  -1.471   5.928
   94    HB3  CYS  16           3HB      CYS  16  -8.644  -0.660   6.158
   95    H    ASP  17           H        ASP  17  -5.406  -0.972   7.441
   96    HA   ASP  17           HA       ASP  17  -6.447  -0.432  10.097
   97    HB2  ASP  17           2HB      ASP  17  -4.421  -2.402   9.035
   98    HB3  ASP  17           3HB      ASP  17  -4.772  -2.236  10.752
   99    H    GLY  18           H        GLY  18  -4.533   1.409   8.405
  100    HA2  GLY  18           2HA      GLY  18  -3.215   3.183   9.197
  101    HA3  GLY  18           3HA      GLY  18  -3.005   2.324  10.716
  102    H    LEU  19           H        LEU  19  -2.444   1.004   7.513
  103    HA   LEU  19           HA       LEU  19   0.217   0.162   8.197
  104    HB2  LEU  19           2HB      LEU  19  -1.225  -0.017   5.561
  105    HB3  LEU  19           3HB      LEU  19   0.194  -0.925   6.018
  106    HG   LEU  19           HG       LEU  19  -2.190  -1.272   7.751
  107   HD11  LEU  19          1HD1      LEU  19  -3.196  -1.239   5.509
  108   HD12  LEU  19          2HD1      LEU  19  -3.255  -2.839   6.243
  109   HD13  LEU  19          3HD1      LEU  19  -2.062  -2.488   4.994
  110   HD21  LEU  19          3HD2      LEU  19  -0.711  -3.536   6.576
  111   HD22  LEU  19          1HD2      LEU  19  -1.243  -3.264   8.233
  112   HD23  LEU  19          2HD2      LEU  19   0.210  -2.468   7.633
  113    H    ILE  20           H        ILE  20   2.005   0.457   6.571
  114    HA   ILE  20           HA       ILE  20   2.156   3.285   5.755
  115    HB   ILE  20           HB       ILE  20   4.398   1.379   6.496
  116   HG12  ILE  20          2HG1      ILE  20   4.039   3.904   7.988
  117   HG13  ILE  20          3HG1      ILE  20   2.745   2.730   8.201
  118   HG21  ILE  20          1HG2      ILE  20   5.778   3.555   6.418
  119   HG22  ILE  20          2HG2      ILE  20   4.462   4.189   5.425
  120   HG23  ILE  20          3HG2      ILE  20   5.371   2.775   4.888
  121   HD11  ILE  20          3HD1      ILE  20   5.673   2.241   8.701
  122   HD12  ILE  20          1HD1      ILE  20   4.379   1.062   8.917
  123   HD13  ILE  20          2HD1      ILE  20   4.434   2.507   9.929
  124    H    CYS  21           H        CYS  21   2.913   3.823   3.737
  125    HA   CYS  21           HA       CYS  21   2.676   1.808   1.675
  126    HB2  CYS  21           2HB      CYS  21   3.048   4.792   1.706
  127    HB3  CYS  21           3HB      CYS  21   3.246   3.882   0.210
  128    H    TYR  22           H        TYR  22   4.349   0.475   1.519
  129    HA   TYR  22           HA       TYR  22   7.062   1.308   1.942
  130    HB2  TYR  22           2HB      TYR  22   5.702  -1.275   1.297
  131    HB3  TYR  22           3HB      TYR  22   7.446  -1.136   1.090
  132    HD1  TYR  22           HD1      TYR  22   8.907  -0.832   3.002
  133    HD2  TYR  22           HD2      TYR  22   4.707  -1.263   3.510
  134    HE1  TYR  22           HE1      TYR  22   9.249  -1.265   5.398
  135    HE2  TYR  22           HE2      TYR  22   5.035  -1.701   5.907
  136    HH   TYR  22           HH       TYR  22   6.813  -2.505   7.407
  137    HA   PRO  23           HA       PRO  23   7.970   2.371  -2.293
  138    HB2  PRO  23           2HB      PRO  23  10.695   2.196  -2.210
  139    HB3  PRO  23           3HB      PRO  23   9.796   3.528  -1.460
  140    HG2  PRO  23           2HG      PRO  23  10.980   1.106  -0.193
  141    HG3  PRO  23           3HG      PRO  23  10.955   2.785   0.384
  142    HD2  PRO  23           2HD      PRO  23   9.243   0.881   1.312
  143    HD3  PRO  23           3HD      PRO  23   8.834   2.601   1.235
  144    H    THR  24           H        THR  24   6.894   0.093  -2.527
  145    HA   THR  24           HA       THR  24   8.768  -1.961  -3.431
  146    HB   THR  24           HB       THR  24   6.868  -3.473  -3.502
  147    HG1  THR  24           HG1      THR  24   5.079  -1.607  -2.458
  148   HG21  THR  24          3HG2      THR  24   6.221  -3.480  -1.156
  149   HG22  THR  24          1HG2      THR  24   6.745  -1.803  -0.987
  150   HG23  THR  24          2HG2      THR  24   7.931  -3.071  -1.309
  151    H    PHE  25           H        PHE  25   8.641  -2.908  -5.502
  152    HA   PHE  25           HA       PHE  25   7.546  -1.086  -7.519
  153    HB2  PHE  25           2HB      PHE  25  10.007  -2.676  -7.344
  154    HB3  PHE  25           3HB      PHE  25   9.209  -2.761  -8.907
  155    HD1  PHE  25           HD2      PHE  25  10.571  -0.379  -6.402
  156    HD2  PHE  25           HD1      PHE  25   9.400  -1.021 -10.446
  157    HE1  PHE  25           HE2      PHE  25  11.551   1.790  -7.027
  158    HE2  PHE  25           HE1      PHE  25  10.372   1.146 -11.076
  159    HZ   PHE  25           HZ       PHE  25  11.450   2.556  -9.366
  160    HA   PRO  26           HA       PRO  26   7.212  -1.071  -9.713
  161    HB2  PRO  26           2HB      PRO  26   4.588  -1.031 -10.905
  162    HB3  PRO  26           3HB      PRO  26   6.144  -1.334 -11.692
  163    HG2  PRO  26           2HG      PRO  26   4.189  -3.218 -11.402
  164    HG3  PRO  26           3HG      PRO  26   5.916  -3.585 -11.575
  165    HD2  PRO  26           2HD      PRO  26   4.236  -3.535  -9.105
  166    HD3  PRO  26           3HD      PRO  26   5.540  -4.653  -9.566
  167    H    GLU  27           H        GLU  27   4.185  -1.748  -8.028
  168    HA   GLU  27           HA       GLU  27   3.959   1.100  -7.337
  169    HB2  GLU  27           2HB      GLU  27   1.527   0.574  -6.863
  170    HB3  GLU  27           3HB      GLU  27   2.009   0.526  -8.548
  171    HG2  GLU  27           2HG      GLU  27   2.275  -2.023  -8.148
  172    HG3  GLU  27           3HG      GLU  27   1.270  -1.733  -6.729
  173    HA   PRO  28           HA       PRO  28   4.843   0.099  -3.078
  174    HB2  PRO  28           2HB      PRO  28   3.379   2.041  -1.793
  175    HB3  PRO  28           3HB      PRO  28   4.953   2.331  -2.566
  176    HG2  PRO  28           2HG      PRO  28   2.220   2.890  -3.598
  177    HG3  PRO  28           3HG      PRO  28   3.691   3.873  -3.715
  178    HD2  PRO  28           2HD      PRO  28   2.800   2.406  -5.783
  179    HD3  PRO  28           3HD      PRO  28   4.533   2.643  -5.477
  180    H    ILE  29           H        ILE  29   3.950  -0.726  -1.141
  181    HA   ILE  29           HA       ILE  29   1.118  -1.547  -1.306
  182    HB   ILE  29           HB       ILE  29   3.280  -3.245  -0.047
  183   HG12  ILE  29          2HG1      ILE  29   3.889  -3.116  -2.386
  184   HG13  ILE  29          3HG1      ILE  29   3.213  -4.704  -2.062
  185   HG21  ILE  29          1HG2      ILE  29   0.476  -3.935  -0.919
  186   HG22  ILE  29          2HG2      ILE  29   1.047  -3.741   0.739
  187   HG23  ILE  29          3HG2      ILE  29   1.648  -5.072  -0.250
  188   HD11  ILE  29          3HD1      ILE  29   2.509  -3.773  -4.233
  189   HD12  ILE  29          1HD1      ILE  29   1.728  -2.435  -3.389
  190   HD13  ILE  29          2HD1      ILE  29   1.143  -4.084  -3.161
  191    H    CYS  30           H        CYS  30   0.049  -1.852   0.719
  192    HA   CYS  30           HA       CYS  30   0.986  -0.022   2.773
  193    HB2  CYS  30           2HB      CYS  30  -1.618  -1.263   2.021
  194    HB3  CYS  30           3HB      CYS  30  -1.397  -0.813   3.700
  195    H    GLY  31           H        GLY  31   2.105  -0.729   4.474
  196    HA2  GLY  31           2HA      GLY  31   1.388  -3.209   5.810
  197    HA3  GLY  31           3HA      GLY  31   2.993  -3.174   5.109
  198    H    VAL  32           H        VAL  32   1.997  -3.330   7.931
  199    HA   VAL  32           HA       VAL  32   3.016  -0.868   9.109
  200    HB   VAL  32           HB       VAL  32   2.522  -2.152  11.324
  201   HG11  VAL  32          1HG1      VAL  32   0.364  -1.255  11.408
  202   HG12  VAL  32          2HG1      VAL  32   0.107  -1.481   9.681
  203   HG13  VAL  32          3HG1      VAL  32   1.223  -0.241  10.251
  204   HG21  VAL  32          3HG2      VAL  32   2.206  -4.375  10.270
  205   HG22  VAL  32          1HG2      VAL  32   0.769  -3.752   9.456
  206   HG23  VAL  32          2HG2      VAL  32   0.810  -3.856  11.216
  Start of MODEL    8
    1    H1   PCA   1           HN       PCA   1 -15.080  -3.118  -0.706
    2    HA   PCA   1           HA       PCA   1 -14.204  -1.590   1.157
    3    HB2  PCA   1           1HB      PCA   1 -11.497  -2.622   1.007
    4    HB3  PCA   1           2HB      PCA   1 -12.550  -2.309   2.245
    5    HG2  PCA   1           1HG      PCA   1 -12.055  -4.979   1.220
    6    HG3  PCA   1           2HG      PCA   1 -13.071  -4.401   2.394
    7    H    TRP   2           H        TRP   2 -13.117   0.336   0.729
    8    HA   TRP   2           HA       TRP   2 -12.394   0.751  -2.081
    9    HB2  TRP   2           2HB      TRP   2 -13.197   2.681   0.098
   10    HB3  TRP   2           3HB      TRP   2 -12.609   3.199  -1.479
   11    HD1  TRP   2           HD1      TRP   2 -15.649   1.664   0.232
   12    HE1  TRP   2           HE1      TRP   2 -17.645   1.724  -1.389
   13    HE3  TRP   2           HE3      TRP   2 -13.219   3.177  -4.016
   14    HZ2  TRP   2           HZ2      TRP   2 -18.130   2.330  -4.098
   15    HZ3  TRP   2           HZ3      TRP   2 -14.528   3.471  -6.077
   16    HH2  TRP   2           HH2      TRP   2 -16.933   3.055  -6.115
   17    H    CYS   3           H        CYS   3 -11.137   1.067   1.175
   18    HA   CYS   3           HA       CYS   3  -8.702   2.369   0.371
   19    HB2  CYS   3           2HB      CYS   3  -8.063   2.229   2.715
   20    HB3  CYS   3           3HB      CYS   3  -9.717   2.813   2.576
   21    H    ALA   4           H        ALA   4  -6.583   1.507   0.703
   22    HA   ALA   4           HA       ALA   4  -6.340  -1.234  -0.204
   23    HB1  ALA   4           3HB      ALA   4  -3.964  -0.682  -0.489
   24    HB2  ALA   4           1HB      ALA   4  -4.236   0.876   0.295
   25    HB3  ALA   4           2HB      ALA   4  -5.004   0.523  -1.252
   26    H    GLU   5           H        GLU   5  -6.156  -2.894   1.143
   27    HA   GLU   5           HA       GLU   5  -5.486  -2.446   3.934
   28    HB2  GLU   5           2HB      GLU   5  -6.283  -4.726   4.310
   29    HB3  GLU   5           3HB      GLU   5  -7.456  -3.803   3.388
   30    HG2  GLU   5           2HG      GLU   5  -6.546  -4.912   1.324
   31    HG3  GLU   5           3HG      GLU   5  -5.614  -5.960   2.387
   32    H    GLU   6           H        GLU   6  -4.458  -5.139   4.409
   33    HA   GLU   6           HA       GLU   6  -1.671  -4.601   3.883
   34    HB2  GLU   6           2HB      GLU   6  -1.279  -6.670   5.270
   35    HB3  GLU   6           3HB      GLU   6  -2.133  -5.374   6.085
   36    HG2  GLU   6           2HG      GLU   6  -4.251  -6.557   5.750
   37    HG3  GLU   6           3HG      GLU   6  -3.392  -7.859   4.927
   38    H    GLY   7           H        GLY   7  -0.765  -5.122   2.049
   39    HA2  GLY   7           2HA      GLY   7   0.159  -6.844   0.638
   40    HA3  GLY   7           3HA      GLY   7  -1.316  -7.768   0.869
   41    H    GLU   8           H        GLU   8  -2.036  -4.530   0.412
   42    HA   GLU   8           HA       GLU   8  -2.555  -4.943  -2.459
   43    HB2  GLU   8           2HB      GLU   8  -4.172  -3.517  -0.351
   44    HB3  GLU   8           3HB      GLU   8  -4.414  -3.211  -2.064
   45    HG2  GLU   8           2HG      GLU   8  -4.570  -5.979  -0.921
   46    HG3  GLU   8           3HG      GLU   8  -5.954  -4.890  -0.917
   47    H    SER   9           H        SER   9  -2.546  -2.997  -3.791
   48    HA   SER   9           HA       SER   9  -0.274  -1.335  -3.187
   49    HB2  SER   9           2HB      SER   9  -0.682  -0.407  -5.463
   50    HB3  SER   9           3HB      SER   9  -0.542  -2.163  -5.438
   51    HG   SER   9           HG       SER   9  -3.082  -1.645  -5.088
   52    H    CYS  10           H        CYS  10  -0.230   0.698  -2.495
   53    HA   CYS  10           HA       CYS  10  -2.792   2.035  -1.987
   54    HB2  CYS  10           2HB      CYS  10  -1.604   3.364  -0.324
   55    HB3  CYS  10           3HB      CYS  10  -1.327   1.651  -0.040
   56    H    GLU  11           H        GLU  11  -1.572   1.972  -4.608
   57    HA   GLU  11           HA       GLU  11  -0.510   4.625  -5.093
   58    HB2  GLU  11           2HB      GLU  11  -0.229   3.891  -7.404
   59    HB3  GLU  11           3HB      GLU  11   0.441   2.712  -6.290
   60    HG2  GLU  11           2HG      GLU  11  -0.642   1.241  -7.614
   61    HG3  GLU  11           3HG      GLU  11  -2.038   1.687  -6.632
   62    H    VAL  12           H        VAL  12  -3.569   3.264  -4.858
   63    HA   VAL  12           HA       VAL  12  -4.756   5.443  -6.436
   64    HB   VAL  12           HB       VAL  12  -5.108   3.251  -7.526
   65   HG11  VAL  12          1HG1      VAL  12  -6.995   1.831  -6.308
   66   HG12  VAL  12          2HG1      VAL  12  -6.176   2.466  -4.879
   67   HG13  VAL  12          3HG1      VAL  12  -5.275   1.526  -6.066
   68   HG21  VAL  12          3HG2      VAL  12  -6.721   4.892  -8.023
   69   HG22  VAL  12          1HG2      VAL  12  -7.558   4.643  -6.492
   70   HG23  VAL  12          2HG2      VAL  12  -7.603   3.393  -7.735
   71    H    TYR  13           H        TYR  13  -4.969   3.390  -3.582
   72    HA   TYR  13           HA       TYR  13  -6.483   5.493  -2.218
   73    HB2  TYR  13           2HB      TYR  13  -7.213   2.601  -2.456
   74    HB3  TYR  13           3HB      TYR  13  -7.580   3.457  -0.980
   75    HD1  TYR  13           HD2      TYR  13  -8.194   3.436  -4.630
   76    HD2  TYR  13           HD1      TYR  13  -9.428   4.929  -0.838
   77    HE1  TYR  13           HE2      TYR  13 -10.242   4.324  -5.655
   78    HE2  TYR  13           HE1      TYR  13 -11.484   5.817  -1.855
   79    HH   TYR  13           HH       TYR  13 -12.292   6.516  -4.071
   80    HA   PRO  14           HA       PRO  14  -3.496   5.001   1.053
   81    HB2  PRO  14           2HB      PRO  14  -5.001   5.650   3.242
   82    HB3  PRO  14           3HB      PRO  14  -4.458   6.855   2.059
   83    HG2  PRO  14           2HG      PRO  14  -7.116   5.525   2.309
   84    HG3  PRO  14           3HG      PRO  14  -6.733   7.228   1.979
   85    HD2  PRO  14           2HD      PRO  14  -7.441   5.508   0.029
   86    HD3  PRO  14           3HD      PRO  14  -6.301   6.832  -0.245
   87    H    CYS  15           H        CYS  15  -3.541   4.071   3.542
   88    HA   CYS  15           HA       CYS  15  -4.139   1.260   3.243
   89    HB2  CYS  15           2HB      CYS  15  -2.966   2.698   5.629
   90    HB3  CYS  15           3HB      CYS  15  -2.969   0.970   5.349
   91    H    CYS  16           H        CYS  16  -5.046   0.182   5.435
   92    HA   CYS  16           HA       CYS  16  -7.561   1.604   5.994
   93    HB2  CYS  16           2HB      CYS  16  -7.141  -1.382   5.919
   94    HB3  CYS  16           3HB      CYS  16  -8.675  -0.548   6.148
   95    H    ASP  17           H        ASP  17  -5.466  -0.912   7.466
   96    HA   ASP  17           HA       ASP  17  -6.519  -0.265  10.095
   97    HB2  ASP  17           2HB      ASP  17  -5.066  -2.168  10.864
   98    HB3  ASP  17           3HB      ASP  17  -6.277  -2.602   9.667
   99    H    GLY  18           H        GLY  18  -4.511   1.449   8.420
  100    HA2  GLY  18           2HA      GLY  18  -3.150   3.183   9.243
  101    HA3  GLY  18           3HA      GLY  18  -2.950   2.288  10.742
  102    H    LEU  19           H        LEU  19  -2.449   1.000   7.512
  103    HA   LEU  19           HA       LEU  19   0.206   0.105   8.162
  104    HB2  LEU  19           2HB      LEU  19  -1.259  -0.020   5.537
  105    HB3  LEU  19           3HB      LEU  19   0.155  -0.948   5.968
  106    HG   LEU  19           HG       LEU  19  -2.210  -1.303   7.719
  107   HD11  LEU  19          1HD1      LEU  19  -2.138  -2.498   4.951
  108   HD12  LEU  19          2HD1      LEU  19  -3.226  -1.206   5.466
  109   HD13  LEU  19          3HD1      LEU  19  -3.338  -2.801   6.206
  110   HD21  LEU  19          3HD2      LEU  19  -1.304  -3.340   8.115
  111   HD22  LEU  19          1HD2      LEU  19   0.159  -2.511   7.587
  112   HD23  LEU  19          2HD2      LEU  19  -0.731  -3.533   6.459
  113    H    ILE  20           H        ILE  20   2.003   0.418   6.582
  114    HA   ILE  20           HA       ILE  20   2.166   3.246   5.772
  115    HB   ILE  20           HB       ILE  20   4.402   1.329   6.507
  116   HG12  ILE  20          2HG1      ILE  20   4.052   3.849   8.008
  117   HG13  ILE  20          3HG1      ILE  20   2.749   2.682   8.214
  118   HG21  ILE  20          1HG2      ILE  20   5.773   3.524   6.447
  119   HG22  ILE  20          2HG2      ILE  20   4.467   4.134   5.426
  120   HG23  ILE  20          3HG2      ILE  20   5.398   2.722   4.920
  121   HD11  ILE  20          3HD1      ILE  20   4.369   1.000   8.926
  122   HD12  ILE  20          1HD1      ILE  20   4.432   2.439   9.944
  123   HD13  ILE  20          2HD1      ILE  20   5.672   2.170   8.719
  124    H    CYS  21           H        CYS  21   2.911   3.792   3.758
  125    HA   CYS  21           HA       CYS  21   2.674   1.791   1.684
  126    HB2  CYS  21           2HB      CYS  21   3.039   4.773   1.735
  127    HB3  CYS  21           3HB      CYS  21   3.238   3.876   0.232
  128    H    TYR  22           H        TYR  22   4.346   0.459   1.523
  129    HA   TYR  22           HA       TYR  22   7.061   1.283   1.941
  130    HB2  TYR  22           2HB      TYR  22   5.691  -1.290   1.281
  131    HB3  TYR  22           3HB      TYR  22   7.433  -1.156   1.060
  132    HD1  TYR  22           HD1      TYR  22   8.911  -0.883   2.962
  133    HD2  TYR  22           HD2      TYR  22   4.712  -1.283   3.503
  134    HE1  TYR  22           HE1      TYR  22   9.271  -1.338   5.352
  135    HE2  TYR  22           HE2      TYR  22   5.058  -1.740   5.896
  136    HH   TYR  22           HH       TYR  22   6.837  -2.566   7.374
  137    HA   PRO  23           HA       PRO  23   7.960   2.385  -2.285
  138    HB2  PRO  23           2HB      PRO  23  10.687   2.206  -2.212
  139    HB3  PRO  23           3HB      PRO  23   9.791   3.532  -1.445
  140    HG2  PRO  23           2HG      PRO  23  10.972   1.093  -0.207
  141    HG3  PRO  23           3HG      PRO  23  10.955   2.767   0.385
  142    HD2  PRO  23           2HD      PRO  23   9.239   0.860   1.302
  143    HD3  PRO  23           3HD      PRO  23   8.834   2.581   1.240
  144    H    THR  24           H        THR  24   6.881   0.119  -2.549
  145    HA   THR  24           HA       THR  24   8.746  -1.929  -3.486
  146    HB   THR  24           HB       THR  24   6.843  -3.437  -3.565
  147    HG1  THR  24           HG1      THR  24   5.385  -1.455  -4.081
  148   HG21  THR  24          3HG2      THR  24   6.736  -1.787  -1.035
  149   HG22  THR  24          1HG2      THR  24   7.903  -3.069  -1.371
  150   HG23  THR  24          2HG2      THR  24   6.189  -3.456  -1.218
  151    H    PHE  25           H        PHE  25   8.578  -2.864  -5.572
  152    HA   PHE  25           HA       PHE  25   7.491  -1.007  -7.558
  153    HB2  PHE  25           2HB      PHE  25   9.941  -2.611  -7.418
  154    HB3  PHE  25           3HB      PHE  25   9.130  -2.683  -8.975
  155    HD1  PHE  25           HD2      PHE  25  10.521  -0.321  -6.465
  156    HD2  PHE  25           HD1      PHE  25   9.325  -0.937 -10.507
  157    HE1  PHE  25           HE2      PHE  25  11.509   1.846  -7.088
  158    HE2  PHE  25           HE1      PHE  25  10.306   1.227 -11.132
  159    HZ   PHE  25           HZ       PHE  25  11.401   2.623  -9.423
  160    HA   PRO  26           HA       PRO  26   7.140  -0.970  -9.756
  161    HB2  PRO  26           2HB      PRO  26   4.504  -0.892 -10.919
  162    HB3  PRO  26           3HB      PRO  26   6.047  -1.204 -11.726
  163    HG2  PRO  26           2HG      PRO  26   4.076  -3.069 -11.430
  164    HG3  PRO  26           3HG      PRO  26   5.796  -3.453 -11.629
  165    HD2  PRO  26           2HD      PRO  26   4.149  -3.414  -9.139
  166    HD3  PRO  26           3HD      PRO  26   5.438  -4.535  -9.626
  167    H    GLU  27           H        GLU  27   4.112  -1.628  -8.061
  168    HA   GLU  27           HA       GLU  27   3.946   1.212  -7.317
  169    HB2  GLU  27           2HB      GLU  27   1.496   0.688  -6.819
  170    HB3  GLU  27           3HB      GLU  27   1.970   0.755  -8.506
  171    HG2  GLU  27           2HG      GLU  27   2.211  -1.817  -8.292
  172    HG3  GLU  27           3HG      GLU  27   1.218  -1.621  -6.851
  173    HA   PRO  28           HA       PRO  28   4.825   0.132  -3.083
  174    HB2  PRO  28           2HB      PRO  28   3.362   2.053  -1.760
  175    HB3  PRO  28           3HB      PRO  28   4.939   2.350  -2.525
  176    HG2  PRO  28           2HG      PRO  28   2.208   2.936  -3.549
  177    HG3  PRO  28           3HG      PRO  28   3.682   3.918  -3.644
  178    HD2  PRO  28           2HD      PRO  28   2.798   2.498  -5.744
  179    HD3  PRO  28           3HD      PRO  28   4.530   2.714  -5.422
  180    H    ILE  29           H        ILE  29   3.948  -0.727  -1.159
  181    HA   ILE  29           HA       ILE  29   1.121  -1.565  -1.318
  182    HB   ILE  29           HB       ILE  29   3.298  -3.246  -0.061
  183   HG12  ILE  29          2HG1      ILE  29   3.922  -3.118  -2.395
  184   HG13  ILE  29          3HG1      ILE  29   3.241  -4.705  -2.084
  185   HG21  ILE  29          1HG2      ILE  29   1.686  -5.089  -0.281
  186   HG22  ILE  29          2HG2      ILE  29   0.503  -3.962  -0.944
  187   HG23  ILE  29          3HG2      ILE  29   1.070  -3.770   0.715
  188   HD11  ILE  29          3HD1      ILE  29   2.555  -3.771  -4.253
  189   HD12  ILE  29          1HD1      ILE  29   1.779  -2.425  -3.417
  190   HD13  ILE  29          2HD1      ILE  29   1.179  -4.069  -3.192
  191    H    CYS  30           H        CYS  30   0.053  -1.886   0.711
  192    HA   CYS  30           HA       CYS  30   0.981  -0.058   2.776
  193    HB2  CYS  30           2HB      CYS  30  -1.618  -1.323   2.036
  194    HB3  CYS  30           3HB      CYS  30  -1.390  -0.853   3.707
  195    H    GLY  31           H        GLY  31   2.101  -0.764   4.473
  196    HA2  GLY  31           2HA      GLY  31   1.407  -3.258   5.794
  197    HA3  GLY  31           3HA      GLY  31   3.011  -3.205   5.091
  198    H    VAL  32           H        VAL  32   1.998  -3.376   7.911
  199    HA   VAL  32           HA       VAL  32   3.017  -0.919   9.102
  200    HB   VAL  32           HB       VAL  32   2.491  -2.201  11.312
  201   HG11  VAL  32          1HG1      VAL  32   0.093  -1.519   9.650
  202   HG12  VAL  32          2HG1      VAL  32   1.213  -0.282  10.218
  203   HG13  VAL  32          3HG1      VAL  32   0.343  -1.285  11.377
  204   HG21  VAL  32          3HG2      VAL  32   0.762  -3.891  11.178
  205   HG22  VAL  32          1HG2      VAL  32   2.172  -4.421  10.259
  206   HG23  VAL  32          2HG2      VAL  32   0.754  -3.792   9.419
  Start of MODEL    9
    1    H1   PCA   1           HN       PCA   1 -15.255  -2.844   0.188
    2    HA   PCA   1           HA       PCA   1 -14.472  -0.889   1.649
    3    HB2  PCA   1           1HB      PCA   1 -11.784  -1.940   1.960
    4    HB3  PCA   1           2HB      PCA   1 -12.908  -1.306   2.997
    5    HG2  PCA   1           1HG      PCA   1 -12.414  -4.153   2.745
    6    HG3  PCA   1           2HG      PCA   1 -13.494  -3.279   3.651
    7    H    TRP   2           H        TRP   2 -13.293   0.851   0.828
    8    HA   TRP   2           HA       TRP   2 -12.428   0.546  -1.954
    9    HB2  TRP   2           2HB      TRP   2 -13.229   2.960  -0.328
   10    HB3  TRP   2           3HB      TRP   2 -12.536   3.083  -1.941
   11    HD1  TRP   2           HD1      TRP   2 -15.746   2.210  -0.122
   12    HE1  TRP   2           HE1      TRP   2 -17.643   1.918  -1.833
   13    HE3  TRP   2           HE3      TRP   2 -12.988   2.328  -4.438
   14    HZ2  TRP   2           HZ2      TRP   2 -17.938   1.758  -4.632
   15    HZ3  TRP   2           HZ3      TRP   2 -14.161   2.097  -6.587
   16    HH2  TRP   2           HH2      TRP   2 -16.585   1.819  -6.681
   17    H    CYS   3           H        CYS   3 -11.156   1.110   1.187
   18    HA   CYS   3           HA       CYS   3  -8.731   2.405   0.337
   19    HB2  CYS   3           2HB      CYS   3  -8.066   2.290   2.677
   20    HB3  CYS   3           3HB      CYS   3  -9.718   2.878   2.548
   21    H    ALA   4           H        ALA   4  -6.601   1.536   0.686
   22    HA   ALA   4           HA       ALA   4  -6.377  -1.213  -0.206
   23    HB1  ALA   4           3HB      ALA   4  -4.005  -0.687  -0.505
   24    HB2  ALA   4           1HB      ALA   4  -4.246   0.870   0.294
   25    HB3  ALA   4           2HB      ALA   4  -5.025   0.544  -1.253
   26    H    GLU   5           H        GLU   5  -6.152  -2.879   1.130
   27    HA   GLU   5           HA       GLU   5  -5.507  -2.417   3.929
   28    HB2  GLU   5           2HB      GLU   5  -6.301  -4.699   4.310
   29    HB3  GLU   5           3HB      GLU   5  -7.477  -3.772   3.395
   30    HG2  GLU   5           2HG      GLU   5  -6.581  -4.881   1.325
   31    HG3  GLU   5           3HG      GLU   5  -5.643  -5.931   2.381
   32    H    GLU   6           H        GLU   6  -4.490  -5.118   4.407
   33    HA   GLU   6           HA       GLU   6  -1.699  -4.584   3.889
   34    HB2  GLU   6           2HB      GLU   6  -1.315  -6.649   5.285
   35    HB3  GLU   6           3HB      GLU   6  -2.166  -5.346   6.093
   36    HG2  GLU   6           2HG      GLU   6  -4.287  -6.526   5.762
   37    HG3  GLU   6           3HG      GLU   6  -3.430  -7.832   4.943
   38    H    GLY   7           H        GLY   7  -0.776  -5.128   2.069
   39    HA2  GLY   7           2HA      GLY   7   0.139  -6.852   0.661
   40    HA3  GLY   7           3HA      GLY   7  -1.338  -7.775   0.898
   41    H    GLU   8           H        GLU   8  -2.030  -4.527   0.422
   42    HA   GLU   8           HA       GLU   8  -2.554  -4.954  -2.447
   43    HB2  GLU   8           2HB      GLU   8  -4.176  -3.524  -0.345
   44    HB3  GLU   8           3HB      GLU   8  -4.415  -3.222  -2.060
   45    HG2  GLU   8           2HG      GLU   8  -4.570  -5.989  -0.912
   46    HG3  GLU   8           3HG      GLU   8  -5.955  -4.902  -0.907
   47    H    SER   9           H        SER   9  -2.552  -3.005  -3.781
   48    HA   SER   9           HA       SER   9  -0.277  -1.344  -3.181
   49    HB2  SER   9           2HB      SER   9  -0.690  -0.417  -5.457
   50    HB3  SER   9           3HB      SER   9  -0.549  -2.174  -5.431
   51    HG   SER   9           HG       SER   9  -3.019  -0.782  -5.380
   52    H    CYS  10           H        CYS  10  -0.231   0.695  -2.500
   53    HA   CYS  10           HA       CYS  10  -2.793   2.032  -1.989
   54    HB2  CYS  10           2HB      CYS  10  -1.606   3.361  -0.328
   55    HB3  CYS  10           3HB      CYS  10  -1.324   1.648  -0.042
   56    H    GLU  11           H        GLU  11  -1.574   1.964  -4.611
   57    HA   GLU  11           HA       GLU  11  -0.516   4.619  -5.098
   58    HB2  GLU  11           2HB      GLU  11  -0.234   3.882  -7.409
   59    HB3  GLU  11           3HB      GLU  11   0.439   2.705  -6.294
   60    HG2  GLU  11           2HG      GLU  11  -0.642   1.232  -7.617
   61    HG3  GLU  11           3HG      GLU  11  -2.038   1.678  -6.635
   62    H    VAL  12           H        VAL  12  -3.572   3.257  -4.856
   63    HA   VAL  12           HA       VAL  12  -4.763   5.427  -6.442
   64    HB   VAL  12           HB       VAL  12  -5.116   3.227  -7.519
   65   HG11  VAL  12          1HG1      VAL  12  -6.995   1.812  -6.287
   66   HG12  VAL  12          2HG1      VAL  12  -6.176   2.456  -4.863
   67   HG13  VAL  12          3HG1      VAL  12  -5.274   1.512  -6.047
   68   HG21  VAL  12          3HG2      VAL  12  -6.734   4.867  -8.016
   69   HG22  VAL  12          1HG2      VAL  12  -7.568   4.616  -6.482
   70   HG23  VAL  12          2HG2      VAL  12  -7.610   3.365  -7.724
   71    H    TYR  13           H        TYR  13  -4.956   3.395  -3.574
   72    HA   TYR  13           HA       TYR  13  -6.468   5.502  -2.215
   73    HB2  TYR  13           2HB      TYR  13  -7.208   2.610  -2.439
   74    HB3  TYR  13           3HB      TYR  13  -7.571   3.478  -0.968
   75    HD1  TYR  13           HD2      TYR  13  -8.199   3.416  -4.613
   76    HD2  TYR  13           HD1      TYR  13  -9.404   4.976  -0.838
   77    HE1  TYR  13           HE2      TYR  13 -10.244   4.305  -5.642
   78    HE2  TYR  13           HE1      TYR  13 -11.456   5.866  -1.859
   79    HH   TYR  13           HH       TYR  13 -12.269   6.535  -4.078
   80    HA   PRO  14           HA       PRO  14  -3.477   5.001   1.050
   81    HB2  PRO  14           2HB      PRO  14  -4.968   5.669   3.242
   82    HB3  PRO  14           3HB      PRO  14  -4.422   6.865   2.050
   83    HG2  PRO  14           2HG      PRO  14  -7.087   5.549   2.316
   84    HG3  PRO  14           3HG      PRO  14  -6.697   7.248   1.980
   85    HD2  PRO  14           2HD      PRO  14  -7.422   5.529   0.037
   86    HD3  PRO  14           3HD      PRO  14  -6.275   6.846  -0.244
   87    H    CYS  15           H        CYS  15  -3.516   4.075   3.541
   88    HA   CYS  15           HA       CYS  15  -4.135   1.268   3.246
   89    HB2  CYS  15           2HB      CYS  15  -2.948   2.693   5.632
   90    HB3  CYS  15           3HB      CYS  15  -2.956   0.966   5.342
   91    H    CYS  16           H        CYS  16  -5.043   0.188   5.420
   92    HA   CYS  16           HA       CYS  16  -7.536   1.630   6.030
   93    HB2  CYS  16           2HB      CYS  16  -7.165  -1.360   5.890
   94    HB3  CYS  16           3HB      CYS  16  -8.683  -0.502   6.129
   95    H    ASP  17           H        ASP  17  -5.452  -0.946   7.393
   96    HA   ASP  17           HA       ASP  17  -6.464  -0.445  10.063
   97    HB2  ASP  17           2HB      ASP  17  -5.806  -2.725   8.968
   98    HB3  ASP  17           3HB      ASP  17  -4.173  -2.287   9.456
   99    H    GLY  18           H        GLY  18  -4.538   1.418   8.414
  100    HA2  GLY  18           2HA      GLY  18  -3.188   3.152   9.239
  101    HA3  GLY  18           3HA      GLY  18  -2.984   2.254  10.736
  102    H    LEU  19           H        LEU  19  -2.452   0.975   7.514
  103    HA   LEU  19           HA       LEU  19   0.208   0.108   8.170
  104    HB2  LEU  19           2HB      LEU  19  -1.248  -0.032   5.541
  105    HB3  LEU  19           3HB      LEU  19   0.167  -0.955   5.983
  106    HG   LEU  19           HG       LEU  19  -2.198  -1.312   7.732
  107   HD11  LEU  19          1HD1      LEU  19  -3.327  -2.813   6.217
  108   HD12  LEU  19          2HD1      LEU  19  -2.139  -2.491   4.957
  109   HD13  LEU  19          3HD1      LEU  19  -3.229  -1.210   5.490
  110   HD21  LEU  19          3HD2      LEU  19  -0.721  -3.537   6.456
  111   HD22  LEU  19          1HD2      LEU  19  -1.298  -3.360   8.111
  112   HD23  LEU  19          2HD2      LEU  19   0.167  -2.524   7.595
  113    H    ILE  20           H        ILE  20   2.002   0.426   6.580
  114    HA   ILE  20           HA       ILE  20   2.150   3.256   5.770
  115    HB   ILE  20           HB       ILE  20   4.393   1.348   6.505
  116   HG12  ILE  20          2HG1      ILE  20   4.038   3.866   8.004
  117   HG13  ILE  20          3HG1      ILE  20   2.738   2.698   8.210
  118   HG21  ILE  20          1HG2      ILE  20   5.767   3.536   6.439
  119   HG22  ILE  20          2HG2      ILE  20   4.454   4.157   5.433
  120   HG23  ILE  20          3HG2      ILE  20   5.376   2.746   4.909
  121   HD11  ILE  20          3HD1      ILE  20   4.422   2.459   9.942
  122   HD12  ILE  20          1HD1      ILE  20   5.661   2.192   8.715
  123   HD13  ILE  20          2HD1      ILE  20   4.361   1.020   8.923
  124    H    CYS  21           H        CYS  21   2.907   3.804   3.756
  125    HA   CYS  21           HA       CYS  21   2.672   1.801   1.682
  126    HB2  CYS  21           2HB      CYS  21   3.034   4.785   1.731
  127    HB3  CYS  21           3HB      CYS  21   3.235   3.884   0.228
  128    H    TYR  22           H        TYR  22   4.345   0.472   1.513
  129    HA   TYR  22           HA       TYR  22   7.059   1.304   1.938
  130    HB2  TYR  22           2HB      TYR  22   5.693  -1.274   1.282
  131    HB3  TYR  22           3HB      TYR  22   7.436  -1.137   1.064
  132    HD1  TYR  22           HD1      TYR  22   8.911  -0.853   2.968
  133    HD2  TYR  22           HD2      TYR  22   4.711  -1.267   3.503
  134    HE1  TYR  22           HE1      TYR  22   9.269  -1.300   5.357
  135    HE2  TYR  22           HE2      TYR  22   5.055  -1.717   5.898
  136    HH   TYR  22           HH       TYR  22   6.839  -2.533   7.381
  137    HA   PRO  23           HA       PRO  23   7.958   2.398  -2.291
  138    HB2  PRO  23           2HB      PRO  23  10.684   2.224  -2.216
  139    HB3  PRO  23           3HB      PRO  23   9.785   3.550  -1.453
  140    HG2  PRO  23           2HG      PRO  23  10.970   1.116  -0.206
  141    HG3  PRO  23           3HG      PRO  23  10.950   2.792   0.382
  142    HD2  PRO  23           2HD      PRO  23   9.236   0.886   1.303
  143    HD3  PRO  23           3HD      PRO  23   8.828   2.606   1.234
  144    H    THR  24           H        THR  24   6.882   0.128  -2.548
  145    HA   THR  24           HA       THR  24   8.752  -1.919  -3.481
  146    HB   THR  24           HB       THR  24   6.854  -3.429  -3.558
  147    HG1  THR  24           HG1      THR  24   5.048  -2.407  -4.090
  148   HG21  THR  24          3HG2      THR  24   6.199  -3.445  -1.208
  149   HG22  THR  24          1HG2      THR  24   6.741  -1.774  -1.030
  150   HG23  THR  24          2HG2      THR  24   7.912  -3.054  -1.363
  151    H    PHE  25           H        PHE  25   8.588  -2.858  -5.563
  152    HA   PHE  25           HA       PHE  25   7.494  -1.007  -7.555
  153    HB2  PHE  25           2HB      PHE  25   9.950  -2.604  -7.411
  154    HB3  PHE  25           3HB      PHE  25   9.139  -2.682  -8.969
  155    HD1  PHE  25           HD1      PHE  25  10.523  -0.312  -6.463
  156    HD2  PHE  25           HD2      PHE  25   9.329  -0.938 -10.503
  157    HE1  PHE  25           HE1      PHE  25  11.505   1.858  -7.090
  158    HE2  PHE  25           HE2      PHE  25  10.303   1.228 -11.133
  159    HZ   PHE  25           HZ       PHE  25  11.395   2.629  -9.426
  160    HA   PRO  26           HA       PRO  26   7.144  -0.977  -9.755
  161    HB2  PRO  26           2HB      PRO  26   4.507  -0.909 -10.916
  162    HB3  PRO  26           3HB      PRO  26   6.051  -1.218 -11.724
  163    HG2  PRO  26           2HG      PRO  26   4.086  -3.088 -11.423
  164    HG3  PRO  26           3HG      PRO  26   5.806  -3.467 -11.623
  165    HD2  PRO  26           2HD      PRO  26   4.160  -3.428  -9.131
  166    HD3  PRO  26           3HD      PRO  26   5.453  -4.547  -9.617
  167    H    GLU  27           H        GLU  27   4.116  -1.638  -8.061
  168    HA   GLU  27           HA       GLU  27   3.945   1.203  -7.320
  169    HB2  GLU  27           2HB      GLU  27   1.496   0.680  -6.824
  170    HB3  GLU  27           3HB      GLU  27   1.970   0.735  -8.512
  171    HG2  GLU  27           2HG      GLU  27   2.212  -1.837  -8.279
  172    HG3  GLU  27           3HG      GLU  27   1.219  -1.628  -6.837
  173    HA   PRO  28           HA       PRO  28   4.825   0.133  -3.084
  174    HB2  PRO  28           2HB      PRO  28   3.361   2.054  -1.765
  175    HB3  PRO  28           3HB      PRO  28   4.936   2.354  -2.531
  176    HG2  PRO  28           2HG      PRO  28   2.202   2.930  -3.556
  177    HG3  PRO  28           3HG      PRO  28   3.673   3.916  -3.655
  178    HD2  PRO  28           2HD      PRO  28   2.792   2.491  -5.751
  179    HD3  PRO  28           3HD      PRO  28   4.524   2.711  -5.430
  180    H    ILE  29           H        ILE  29   3.950  -0.726  -1.162
  181    HA   ILE  29           HA       ILE  29   1.124  -1.569  -1.318
  182    HB   ILE  29           HB       ILE  29   3.305  -3.244  -0.059
  183   HG12  ILE  29          2HG1      ILE  29   3.929  -3.120  -2.392
  184   HG13  ILE  29          3HG1      ILE  29   3.249  -4.706  -2.080
  185   HG21  ILE  29          1HG2      ILE  29   1.076  -3.770   0.718
  186   HG22  ILE  29          2HG2      ILE  29   1.693  -5.090  -0.276
  187   HG23  ILE  29          3HG2      ILE  29   0.511  -3.965  -0.942
  188   HD11  ILE  29          3HD1      ILE  29   2.564  -3.771  -4.251
  189   HD12  ILE  29          1HD1      ILE  29   1.780  -2.428  -3.413
  190   HD13  ILE  29          2HD1      ILE  29   1.188  -4.076  -3.191
  191    H    CYS  30           H        CYS  30   0.061  -1.897   0.717
  192    HA   CYS  30           HA       CYS  30   0.988  -0.059   2.774
  193    HB2  CYS  30           2HB      CYS  30  -1.611  -1.326   2.039
  194    HB3  CYS  30           3HB      CYS  30  -1.380  -0.851   3.710
  195    H    GLY  31           H        GLY  31   2.107  -0.760   4.473
  196    HA2  GLY  31           2HA      GLY  31   1.419  -3.254   5.797
  197    HA3  GLY  31           3HA      GLY  31   3.023  -3.196   5.098
  198    H    VAL  32           H        VAL  32   2.010  -3.369   7.918
  199    HA   VAL  32           HA       VAL  32   3.005  -0.903   9.107
  200    HB   VAL  32           HB       VAL  32   2.497  -2.194  11.317
  201   HG11  VAL  32          1HG1      VAL  32   1.199  -0.286  10.237
  202   HG12  VAL  32          2HG1      VAL  32   0.334  -1.308  11.382
  203   HG13  VAL  32          3HG1      VAL  32   0.095  -1.529   9.651
  204   HG21  VAL  32          3HG2      VAL  32   0.820  -3.916  11.201
  205   HG22  VAL  32          1HG2      VAL  32   2.202  -4.413  10.223
  206   HG23  VAL  32          2HG2      VAL  32   0.746  -3.788   9.446
  Start of MODEL   10
    1    H1   PCA   1           HN       PCA   1 -15.245  -2.786   0.231
    2    HA   PCA   1           HA       PCA   1 -14.454  -0.834   1.693
    3    HB2  PCA   1           1HB      PCA   1 -11.769  -1.895   1.999
    4    HB3  PCA   1           2HB      PCA   1 -12.890  -1.256   3.038
    5    HG2  PCA   1           1HG      PCA   1 -12.408  -4.106   2.785
    6    HG3  PCA   1           2HG      PCA   1 -13.482  -3.229   3.691
    7    H    TRP   2           H        TRP   2 -13.269   0.902   0.869
    8    HA   TRP   2           HA       TRP   2 -12.408   0.593  -1.914
    9    HB2  TRP   2           2HB      TRP   2 -13.202   3.009  -0.290
   10    HB3  TRP   2           3HB      TRP   2 -12.507   3.130  -1.903
   11    HD1  TRP   2           HD1      TRP   2 -15.725   2.298  -0.088
   12    HE1  TRP   2           HE1      TRP   2 -17.619   1.997  -1.803
   13    HE3  TRP   2           HE3      TRP   2 -12.952   2.329  -4.397
   14    HZ2  TRP   2           HZ2      TRP   2 -17.906   1.798  -4.600
   15    HZ3  TRP   2           HZ3      TRP   2 -14.120   2.077  -6.546
   16    HH2  TRP   2           HH2      TRP   2 -16.546   1.816  -6.645
   17    H    CYS   3           H        CYS   3 -11.119   1.105   1.218
   18    HA   CYS   3           HA       CYS   3  -8.697   2.413   0.373
   19    HB2  CYS   3           2HB      CYS   3  -8.024   2.278   2.712
   20    HB3  CYS   3           3HB      CYS   3  -9.670   2.886   2.584
   21    H    ALA   4           H        ALA   4  -6.576   1.538   0.673
   22    HA   ALA   4           HA       ALA   4  -6.369  -1.213  -0.214
   23    HB1  ALA   4           3HB      ALA   4  -4.263   0.908   0.232
   24    HB2  ALA   4           1HB      ALA   4  -5.020   0.488  -1.304
   25    HB3  ALA   4           2HB      ALA   4  -3.973  -0.677  -0.493
   26    H    GLU   5           H        GLU   5  -6.135  -2.879   1.125
   27    HA   GLU   5           HA       GLU   5  -5.465  -2.410   3.916
   28    HB2  GLU   5           2HB      GLU   5  -6.256  -4.691   4.310
   29    HB3  GLU   5           3HB      GLU   5  -7.439  -3.766   3.401
   30    HG2  GLU   5           2HG      GLU   5  -6.563  -4.880   1.327
   31    HG3  GLU   5           3HG      GLU   5  -5.613  -5.926   2.377
   32    H    GLU   6           H        GLU   6  -4.448  -5.111   4.394
   33    HA   GLU   6           HA       GLU   6  -1.660  -4.584   3.865
   34    HB2  GLU   6           2HB      GLU   6  -1.273  -6.643   5.263
   35    HB3  GLU   6           3HB      GLU   6  -2.127  -5.342   6.071
   36    HG2  GLU   6           2HG      GLU   6  -4.245  -6.526   5.743
   37    HG3  GLU   6           3HG      GLU   6  -3.386  -7.832   4.927
   38    H    GLY   7           H        GLY   7  -0.739  -5.136   2.048
   39    HA2  GLY   7           2HA      GLY   7   0.167  -6.861   0.639
   40    HA3  GLY   7           3HA      GLY   7  -1.306  -7.785   0.885
   41    H    GLU   8           H        GLU   8  -2.019  -4.546   0.403
   42    HA   GLU   8           HA       GLU   8  -2.558  -4.986  -2.462
   43    HB2  GLU   8           2HB      GLU   8  -4.156  -3.537  -0.354
   44    HB3  GLU   8           3HB      GLU   8  -4.407  -3.241  -2.068
   45    HG2  GLU   8           2HG      GLU   8  -4.571  -6.000  -0.902
   46    HG3  GLU   8           3HG      GLU   8  -5.949  -4.904  -0.904
   47    H    SER   9           H        SER   9  -2.575  -3.033  -3.801
   48    HA   SER   9           HA       SER   9  -0.292  -1.371  -3.219
   49    HB2  SER   9           2HB      SER   9  -0.694  -0.464  -5.498
   50    HB3  SER   9           3HB      SER   9  -0.570  -2.221  -5.465
   51    HG   SER   9           HG       SER   9  -2.338  -1.467  -6.738
   52    H    CYS  10           H        CYS  10  -0.243   0.712  -2.645
   53    HA   CYS  10           HA       CYS  10  -2.822   2.031  -2.127
   54    HB2  CYS  10           2HB      CYS  10  -1.665   3.353  -0.434
   55    HB3  CYS  10           3HB      CYS  10  -1.409   1.638  -0.144
   56    H    GLU  11           H        GLU  11  -1.755   2.012  -4.731
   57    HA   GLU  11           HA       GLU  11  -0.537   4.602  -5.207
   58    HB2  GLU  11           2HB      GLU  11  -0.429   3.912  -7.559
   59    HB3  GLU  11           3HB      GLU  11   0.262   2.696  -6.498
   60    HG2  GLU  11           2HG      GLU  11  -1.552   1.232  -6.814
   61    HG3  GLU  11           3HG      GLU  11  -2.556   2.496  -7.519
   62    H    VAL  12           H        VAL  12  -3.677   3.389  -4.930
   63    HA   VAL  12           HA       VAL  12  -4.771   5.727  -6.340
   64    HB   VAL  12           HB       VAL  12  -5.294   3.671  -7.588
   65   HG11  VAL  12          1HG1      VAL  12  -5.471   1.825  -6.292
   66   HG12  VAL  12          2HG1      VAL  12  -7.187   2.229  -6.381
   67   HG13  VAL  12          3HG1      VAL  12  -6.244   2.691  -4.965
   68   HG21  VAL  12          3HG2      VAL  12  -7.775   3.931  -7.694
   69   HG22  VAL  12          1HG2      VAL  12  -6.867   5.439  -7.819
   70   HG23  VAL  12          2HG2      VAL  12  -7.662   5.011  -6.304
   71    H    TYR  13           H        TYR  13  -5.051   3.501  -3.621
   72    HA   TYR  13           HA       TYR  13  -6.483   5.582  -2.131
   73    HB2  TYR  13           2HB      TYR  13  -7.236   2.704  -2.450
   74    HB3  TYR  13           3HB      TYR  13  -7.563   3.513  -0.939
   75    HD1  TYR  13           HD1      TYR  13  -8.274   3.599  -4.570
   76    HD2  TYR  13           HD2      TYR  13  -9.387   5.015  -0.712
   77    HE1  TYR  13           HE1      TYR  13 -10.341   4.535  -5.515
   78    HE2  TYR  13           HE2      TYR  13 -11.454   5.956  -1.650
   79    HH   TYR  13           HH       TYR  13 -12.588   5.184  -4.749
   80    HA   PRO  14           HA       PRO  14  -3.433   4.977   1.058
   81    HB2  PRO  14           2HB      PRO  14  -4.873   5.624   3.284
   82    HB3  PRO  14           3HB      PRO  14  -4.355   6.835   2.096
   83    HG2  PRO  14           2HG      PRO  14  -7.013   5.515   2.403
   84    HG3  PRO  14           3HG      PRO  14  -6.630   7.222   2.089
   85    HD2  PRO  14           2HD      PRO  14  -7.394   5.535   0.131
   86    HD3  PRO  14           3HD      PRO  14  -6.258   6.859  -0.152
   87    H    CYS  15           H        CYS  15  -3.546   4.063   3.591
   88    HA   CYS  15           HA       CYS  15  -4.132   1.246   3.262
   89    HB2  CYS  15           2HB      CYS  15  -2.950   2.666   5.653
   90    HB3  CYS  15           3HB      CYS  15  -2.953   0.940   5.360
   91    H    CYS  16           H        CYS  16  -5.037   0.158   5.439
   92    HA   CYS  16           HA       CYS  16  -7.531   1.594   6.056
   93    HB2  CYS  16           2HB      CYS  16  -7.159  -1.395   5.900
   94    HB3  CYS  16           3HB      CYS  16  -8.676  -0.537   6.146
   95    H    ASP  17           H        ASP  17  -5.443  -0.989   7.400
   96    HA   ASP  17           HA       ASP  17  -6.453  -0.510  10.074
   97    HB2  ASP  17           2HB      ASP  17  -4.455  -2.465   8.942
   98    HB3  ASP  17           3HB      ASP  17  -4.792  -2.348  10.665
   99    H    GLY  18           H        GLY  18  -4.521   1.364   8.437
  100    HA2  GLY  18           2HA      GLY  18  -3.191   3.101   9.291
  101    HA3  GLY  18           3HA      GLY  18  -2.976   2.182  10.773
  102    H    LEU  19           H        LEU  19  -2.452   0.935   7.541
  103    HA   LEU  19           HA       LEU  19   0.222   0.092   8.176
  104    HB2  LEU  19           2HB      LEU  19  -1.244  -0.053   5.553
  105    HB3  LEU  19           3HB      LEU  19   0.177  -0.967   5.989
  106    HG   LEU  19           HG       LEU  19  -2.175  -1.348   7.747
  107   HD11  LEU  19          1HD1      LEU  19  -3.310  -2.844   6.233
  108   HD12  LEU  19          2HD1      LEU  19  -2.131  -2.513   4.966
  109   HD13  LEU  19          3HD1      LEU  19  -3.222  -1.238   5.512
  110   HD21  LEU  19          3HD2      LEU  19  -0.679  -3.545   6.441
  111   HD22  LEU  19          1HD2      LEU  19  -1.271  -3.404   8.094
  112   HD23  LEU  19          2HD2      LEU  19   0.188  -2.544   7.604
  113    H    ILE  20           H        ILE  20   1.991   0.428   6.540
  114    HA   ILE  20           HA       ILE  20   2.094   3.262   5.739
  115    HB   ILE  20           HB       ILE  20   4.375   1.401   6.481
  116   HG12  ILE  20          2HG1      ILE  20   3.969   3.917   7.973
  117   HG13  ILE  20          3HG1      ILE  20   2.693   2.723   8.185
  118   HG21  ILE  20          1HG2      ILE  20   5.343   2.807   4.892
  119   HG22  ILE  20          2HG2      ILE  20   5.692   3.634   6.414
  120   HG23  ILE  20          3HG2      ILE  20   4.373   4.198   5.383
  121   HD11  ILE  20          3HD1      ILE  20   4.352   1.080   8.900
  122   HD12  ILE  20          1HD1      ILE  20   4.382   2.522   9.914
  123   HD13  ILE  20          2HD1      ILE  20   5.627   2.280   8.688
  124    H    CYS  21           H        CYS  21   2.832   3.814   3.720
  125    HA   CYS  21           HA       CYS  21   2.641   1.793   1.660
  126    HB2  CYS  21           2HB      CYS  21   2.937   4.784   1.688
  127    HB3  CYS  21           3HB      CYS  21   3.154   3.878   0.192
  128    H    TYR  22           H        TYR  22   4.342   0.497   1.519
  129    HA   TYR  22           HA       TYR  22   7.037   1.389   1.930
  130    HB2  TYR  22           2HB      TYR  22   5.730  -1.226   1.294
  131    HB3  TYR  22           3HB      TYR  22   7.472  -1.050   1.096
  132    HD1  TYR  22           HD1      TYR  22   8.914  -0.694   3.021
  133    HD2  TYR  22           HD2      TYR  22   4.722  -1.238   3.498
  134    HE1  TYR  22           HE1      TYR  22   9.250  -1.108   5.419
  135    HE2  TYR  22           HE2      TYR  22   5.046  -1.657   5.899
  136    HH   TYR  22           HH       TYR  22   7.956  -0.990   7.508
  137    HA   PRO  23           HA       PRO  23   7.923   2.442  -2.312
  138    HB2  PRO  23           2HB      PRO  23  10.651   2.307  -2.234
  139    HB3  PRO  23           3HB      PRO  23   9.735   3.630  -1.486
  140    HG2  PRO  23           2HG      PRO  23  10.955   1.228  -0.214
  141    HG3  PRO  23           3HG      PRO  23  10.909   2.909   0.356
  142    HD2  PRO  23           2HD      PRO  23   9.225   0.987   1.297
  143    HD3  PRO  23           3HD      PRO  23   8.792   2.701   1.212
  144    H    THR  24           H        THR  24   6.881   0.144  -2.527
  145    HA   THR  24           HA       THR  24   8.784  -1.882  -3.433
  146    HB   THR  24           HB       THR  24   6.904  -3.422  -3.493
  147    HG1  THR  24           HG1      THR  24   5.090  -1.594  -2.434
  148   HG21  THR  24          3HG2      THR  24   6.269  -3.431  -1.141
  149   HG22  THR  24          1HG2      THR  24   6.783  -1.749  -0.978
  150   HG23  THR  24          2HG2      THR  24   7.975  -3.010  -1.309
  151    H    PHE  25           H        PHE  25   8.631  -2.862  -5.499
  152    HA   PHE  25           HA       PHE  25   7.496  -1.068  -7.520
  153    HB2  PHE  25           2HB      PHE  25   9.994  -2.591  -7.352
  154    HB3  PHE  25           3HB      PHE  25   9.183  -2.728  -8.904
  155    HD1  PHE  25           HD2      PHE  25  10.505  -0.265  -6.456
  156    HD2  PHE  25           HD1      PHE  25   9.314  -1.011 -10.477
  157    HE1  PHE  25           HE2      PHE  25  11.421   1.918  -7.132
  158    HE2  PHE  25           HE1      PHE  25  10.221   1.168 -11.155
  159    HZ   PHE  25           HZ       PHE  25  11.279   2.638  -9.484
  160    HA   PRO  26           HA       PRO  26   7.135  -1.089  -9.728
  161    HB2  PRO  26           2HB      PRO  26   4.462  -1.112 -10.833
  162    HB3  PRO  26           3HB      PRO  26   6.002  -1.353 -11.671
  163    HG2  PRO  26           2HG      PRO  26   4.138  -3.308 -11.344
  164    HG3  PRO  26           3HG      PRO  26   5.875  -3.613 -11.546
  165    HD2  PRO  26           2HD      PRO  26   4.232  -3.622  -9.049
  166    HD3  PRO  26           3HD      PRO  26   5.565  -4.695  -9.531
  167    H    GLU  27           H        GLU  27   4.052  -1.742  -8.073
  168    HA   GLU  27           HA       GLU  27   3.909   1.098  -7.333
  169    HB2  GLU  27           2HB      GLU  27   1.482   0.587  -6.762
  170    HB3  GLU  27           3HB      GLU  27   1.905   0.603  -8.462
  171    HG2  GLU  27           2HG      GLU  27   1.984  -2.020  -7.087
  172    HG3  GLU  27           3HG      GLU  27   0.400  -1.300  -7.360
  173    HA   PRO  28           HA       PRO  28   4.828   0.118  -3.082
  174    HB2  PRO  28           2HB      PRO  28   3.346   2.038  -1.782
  175    HB3  PRO  28           3HB      PRO  28   4.908   2.352  -2.571
  176    HG2  PRO  28           2HG      PRO  28   2.155   2.866  -3.573
  177    HG3  PRO  28           3HG      PRO  28   3.607   3.875  -3.705
  178    HD2  PRO  28           2HD      PRO  28   2.723   2.394  -5.766
  179    HD3  PRO  28           3HD      PRO  28   4.454   2.659  -5.475
  180    H    ILE  29           H        ILE  29   3.958  -0.727  -1.139
  181    HA   ILE  29           HA       ILE  29   1.138  -1.585  -1.290
  182    HB   ILE  29           HB       ILE  29   3.324  -3.255  -0.037
  183   HG12  ILE  29          2HG1      ILE  29   3.928  -3.109  -2.381
  184   HG13  ILE  29          3HG1      ILE  29   3.284  -4.710  -2.055
  185   HG21  ILE  29          1HG2      ILE  29   1.099  -3.783   0.749
  186   HG22  ILE  29          2HG2      ILE  29   1.716  -5.103  -0.245
  187   HG23  ILE  29          3HG2      ILE  29   0.529  -3.980  -0.908
  188   HD11  ILE  29          3HD1      ILE  29   1.199  -4.124  -3.147
  189   HD12  ILE  29          1HD1      ILE  29   2.558  -3.798  -4.223
  190   HD13  ILE  29          2HD1      ILE  29   1.757  -2.467  -3.383
  191    H    CYS  30           H        CYS  30   0.072  -1.892   0.733
  192    HA   CYS  30           HA       CYS  30   0.993  -0.056   2.787
  193    HB2  CYS  30           2HB      CYS  30  -1.595  -1.340   2.046
  194    HB3  CYS  30           3HB      CYS  30  -1.375  -0.872   3.720
  195    H    GLY  31           H        GLY  31   2.129  -0.746   4.482
  196    HA2  GLY  31           2HA      GLY  31   1.460  -3.247   5.810
  197    HA3  GLY  31           3HA      GLY  31   3.067  -3.164   5.119
  198    H    VAL  32           H        VAL  32   2.041  -3.357   7.934
  199    HA   VAL  32           HA       VAL  32   2.989  -0.877   9.132
  200    HB   VAL  32           HB       VAL  32   2.495  -2.180  11.338
  201   HG11  VAL  32          1HG1      VAL  32   0.308  -1.342  11.390
  202   HG12  VAL  32          2HG1      VAL  32   0.094  -1.553   9.656
  203   HG13  VAL  32          3HG1      VAL  32   1.167  -0.294  10.264
  204   HG21  VAL  32          3HG2      VAL  32   2.246  -4.406  10.276
  205   HG22  VAL  32          1HG2      VAL  32   0.811  -3.815   9.436
  206   HG23  VAL  32          2HG2      VAL  32   0.821  -3.922  11.195
  Start of MODEL   11
    1    H1   PCA   1           HN       PCA   1 -17.415   0.628   1.871
    2    HA   PCA   1           HA       PCA   1 -15.549   2.117   2.806
    3    HB2  PCA   1           1HB      PCA   1 -13.940  -0.120   3.714
    4    HB3  PCA   1           2HB      PCA   1 -14.428   1.308   4.396
    5    HG2  PCA   1           1HG      PCA   1 -15.673  -1.244   4.998
    6    HG3  PCA   1           2HG      PCA   1 -15.991   0.303   5.497
    7    H    TRP   2           H        TRP   2 -13.655   2.548   1.658
    8    HA   TRP   2           HA       TRP   2 -12.785   0.643  -0.376
    9    HB2  TRP   2           2HB      TRP   2 -13.517   3.520  -0.981
   10    HB3  TRP   2           3HB      TRP   2 -12.728   2.419  -2.103
   11    HD1  TRP   2           HD1      TRP   2 -16.113   3.072  -0.433
   12    HE1  TRP   2           HE1      TRP   2 -17.940   1.836  -1.750
   13    HE3  TRP   2           HE3      TRP   2 -13.151   0.437  -3.676
   14    HZ2  TRP   2           HZ2      TRP   2 -18.114  -0.005  -3.880
   15    HZ3  TRP   2           HZ3      TRP   2 -14.233  -1.038  -5.322
   16    HH2  TRP   2           HH2      TRP   2 -16.664  -1.253  -5.420
   17    H    CYS   3           H        CYS   3 -10.886   0.306   0.586
   18    HA   CYS   3           HA       CYS   3  -8.848   2.334   0.337
   19    HB2  CYS   3           2HB      CYS   3  -8.057   2.194   2.664
   20    HB3  CYS   3           3HB      CYS   3  -9.697   2.826   2.595
   21    H    ALA   4           H        ALA   4  -6.672   1.482   0.713
   22    HA   ALA   4           HA       ALA   4  -6.444  -1.264  -0.207
   23    HB1  ALA   4           3HB      ALA   4  -4.339   0.861   0.228
   24    HB2  ALA   4           1HB      ALA   4  -5.121   0.468  -1.302
   25    HB3  ALA   4           2HB      ALA   4  -4.065  -0.713  -0.525
   26    H    GLU   5           H        GLU   5  -6.176  -2.922   1.133
   27    HA   GLU   5           HA       GLU   5  -5.499  -2.437   3.919
   28    HB2  GLU   5           2HB      GLU   5  -6.253  -4.732   4.319
   29    HB3  GLU   5           3HB      GLU   5  -7.454  -3.823   3.419
   30    HG2  GLU   5           2HG      GLU   5  -6.575  -4.924   1.337
   31    HG3  GLU   5           3HG      GLU   5  -5.605  -5.958   2.381
   32    H    GLU   6           H        GLU   6  -4.443  -5.126   4.392
   33    HA   GLU   6           HA       GLU   6  -1.662  -4.561   3.854
   34    HB2  GLU   6           2HB      GLU   6  -1.244  -6.618   5.247
   35    HB3  GLU   6           3HB      GLU   6  -2.110  -5.329   6.062
   36    HG2  GLU   6           2HG      GLU   6  -4.216  -6.540   5.736
   37    HG3  GLU   6           3HG      GLU   6  -3.343  -7.833   4.915
   38    H    GLY   7           H        GLY   7  -0.729  -5.104   2.044
   39    HA2  GLY   7           2HA      GLY   7   0.192  -6.820   0.630
   40    HA3  GLY   7           3HA      GLY   7  -1.278  -7.751   0.866
   41    H    GLU   8           H        GLU   8  -2.042  -4.531   0.408
   42    HA   GLU   8           HA       GLU   8  -2.558  -4.952  -2.462
   43    HB2  GLU   8           2HB      GLU   8  -4.170  -3.527  -0.349
   44    HB3  GLU   8           3HB      GLU   8  -4.420  -3.221  -2.062
   45    HG2  GLU   8           2HG      GLU   8  -4.556  -5.995  -0.928
   46    HG3  GLU   8           3HG      GLU   8  -5.945  -4.911  -0.898
   47    H    SER   9           H        SER   9  -2.581  -2.997  -3.796
   48    HA   SER   9           HA       SER   9  -0.295  -1.340  -3.224
   49    HB2  SER   9           2HB      SER   9  -0.735  -0.407  -5.489
   50    HB3  SER   9           3HB      SER   9  -0.608  -2.164  -5.473
   51    HG   SER   9           HG       SER   9  -3.132  -0.977  -5.199
   52    H    CYS  10           H        CYS  10  -0.239   0.687  -2.517
   53    HA   CYS  10           HA       CYS  10  -2.792   2.034  -1.983
   54    HB2  CYS  10           2HB      CYS  10  -1.599   3.332  -0.305
   55    HB3  CYS  10           3HB      CYS  10  -1.321   1.615  -0.044
   56    H    GLU  11           H        GLU  11  -1.486   1.981  -4.601
   57    HA   GLU  11           HA       GLU  11  -0.429   4.635  -5.053
   58    HB2  GLU  11           2HB      GLU  11  -0.167   3.933  -7.376
   59    HB3  GLU  11           3HB      GLU  11   0.489   2.726  -6.283
   60    HG2  GLU  11           2HG      GLU  11  -0.618   1.293  -7.627
   61    HG3  GLU  11           3HG      GLU  11  -2.003   1.743  -6.632
   62    H    VAL  12           H        VAL  12  -3.505   3.295  -4.851
   63    HA   VAL  12           HA       VAL  12  -4.670   5.524  -6.373
   64    HB   VAL  12           HB       VAL  12  -5.045   3.377  -7.528
   65   HG11  VAL  12          1HG1      VAL  12  -6.937   1.932  -6.312
   66   HG12  VAL  12          2HG1      VAL  12  -6.050   2.493  -4.894
   67   HG13  VAL  12          3HG1      VAL  12  -5.215   1.590  -6.155
   68   HG21  VAL  12          3HG2      VAL  12  -7.513   3.532  -7.760
   69   HG22  VAL  12          1HG2      VAL  12  -6.669   5.073  -7.902
   70   HG23  VAL  12          2HG2      VAL  12  -7.520   4.668  -6.412
   71    H    TYR  13           H        TYR  13  -5.002   3.356  -3.594
   72    HA   TYR  13           HA       TYR  13  -6.543   5.437  -2.213
   73    HB2  TYR  13           2HB      TYR  13  -7.093   2.519  -2.489
   74    HB3  TYR  13           3HB      TYR  13  -7.518   3.317  -0.993
   75    HD1  TYR  13           HD2      TYR  13  -8.140   3.296  -4.640
   76    HD2  TYR  13           HD1      TYR  13  -9.440   4.693  -0.838
   77    HE1  TYR  13           HE2      TYR  13 -10.243   4.062  -5.650
   78    HE2  TYR  13           HE1      TYR  13 -11.551   5.457  -1.836
   79    HH   TYR  13           HH       TYR  13 -12.412   6.116  -4.044
   80    HA   PRO  14           HA       PRO  14  -3.560   5.028   1.087
   81    HB2  PRO  14           2HB      PRO  14  -5.093   5.672   3.253
   82    HB3  PRO  14           3HB      PRO  14  -4.575   6.874   2.056
   83    HG2  PRO  14           2HG      PRO  14  -7.203   5.485   2.316
   84    HG3  PRO  14           3HG      PRO  14  -6.858   7.191   1.957
   85    HD2  PRO  14           2HD      PRO  14  -7.512   5.404   0.035
   86    HD3  PRO  14           3HD      PRO  14  -6.430   6.773  -0.260
   87    H    CYS  15           H        CYS  15  -3.547   4.068   3.539
   88    HA   CYS  15           HA       CYS  15  -4.146   1.260   3.243
   89    HB2  CYS  15           2HB      CYS  15  -2.975   2.693   5.632
   90    HB3  CYS  15           3HB      CYS  15  -2.969   0.965   5.345
   91    H    CYS  16           H        CYS  16  -5.038   0.158   5.416
   92    HA   CYS  16           HA       CYS  16  -7.559   1.555   6.017
   93    HB2  CYS  16           2HB      CYS  16  -7.108  -1.424   5.876
   94    HB3  CYS  16           3HB      CYS  16  -8.648  -0.615   6.149
   95    H    ASP  17           H        ASP  17  -5.407  -0.950   7.408
   96    HA   ASP  17           HA       ASP  17  -6.440  -0.437  10.072
   97    HB2  ASP  17           2HB      ASP  17  -4.430  -2.406   8.982
   98    HB3  ASP  17           3HB      ASP  17  -4.772  -2.255  10.702
   99    H    GLY  18           H        GLY  18  -4.536   1.426   8.407
  100    HA2  GLY  18           2HA      GLY  18  -3.204   3.180   9.212
  101    HA3  GLY  18           3HA      GLY  18  -2.993   2.302  10.721
  102    H    LEU  19           H        LEU  19  -2.448   1.001   7.510
  103    HA   LEU  19           HA       LEU  19   0.215   0.151   8.175
  104    HB2  LEU  19           2HB      LEU  19  -1.238  -0.011   5.545
  105    HB3  LEU  19           3HB      LEU  19   0.179  -0.927   5.995
  106    HG   LEU  19           HG       LEU  19  -2.197  -1.275   7.734
  107   HD11  LEU  19          1HD1      LEU  19  -3.200  -1.216   5.476
  108   HD12  LEU  19          2HD1      LEU  19  -3.303  -2.803   6.233
  109   HD13  LEU  19          3HD1      LEU  19  -2.098  -2.502   4.982
  110   HD21  LEU  19          3HD2      LEU  19   0.183  -2.473   7.624
  111   HD22  LEU  19          1HD2      LEU  19  -0.706  -3.518   6.519
  112   HD23  LEU  19          2HD2      LEU  19  -1.276  -3.296   8.172
  113    H    ILE  20           H        ILE  20   2.011   0.465   6.593
  114    HA   ILE  20           HA       ILE  20   2.156   3.288   5.765
  115    HB   ILE  20           HB       ILE  20   4.399   1.381   6.507
  116   HG12  ILE  20          2HG1      ILE  20   4.043   3.910   7.992
  117   HG13  ILE  20          3HG1      ILE  20   2.747   2.739   8.210
  118   HG21  ILE  20          1HG2      ILE  20   5.382   2.771   4.902
  119   HG22  ILE  20          2HG2      ILE  20   5.773   3.570   6.428
  120   HG23  ILE  20          3HG2      ILE  20   4.460   4.184   5.419
  121   HD11  ILE  20          3HD1      ILE  20   4.380   1.071   8.928
  122   HD12  ILE  20          1HD1      ILE  20   4.437   2.516   9.936
  123   HD13  ILE  20          2HD1      ILE  20   5.676   2.246   8.709
  124    H    CYS  21           H        CYS  21   2.907   3.829   3.748
  125    HA   CYS  21           HA       CYS  21   2.667   1.816   1.684
  126    HB2  CYS  21           2HB      CYS  21   3.028   4.800   1.721
  127    HB3  CYS  21           3HB      CYS  21   3.237   3.896   0.223
  128    H    TYR  22           H        TYR  22   4.338   0.484   1.515
  129    HA   TYR  22           HA       TYR  22   7.054   1.311   1.932
  130    HB2  TYR  22           2HB      TYR  22   5.680  -1.266   1.289
  131    HB3  TYR  22           3HB      TYR  22   7.423  -1.134   1.062
  132    HD1  TYR  22           HD1      TYR  22   8.909  -0.851   2.956
  133    HD2  TYR  22           HD2      TYR  22   4.710  -1.245   3.516
  134    HE1  TYR  22           HE1      TYR  22   9.277  -1.295   5.345
  135    HE2  TYR  22           HE2      TYR  22   5.067  -1.692   5.909
  136    HH   TYR  22           HH       TYR  22   6.853  -2.513   7.384
  137    HA   PRO  23           HA       PRO  23   7.947   2.390  -2.302
  138    HB2  PRO  23           2HB      PRO  23  10.672   2.221  -2.227
  139    HB3  PRO  23           3HB      PRO  23   9.774   3.548  -1.469
  140    HG2  PRO  23           2HG      PRO  23  10.963   1.122  -0.214
  141    HG3  PRO  23           3HG      PRO  23  10.940   2.799   0.368
  142    HD2  PRO  23           2HD      PRO  23   9.230   0.893   1.295
  143    HD3  PRO  23           3HD      PRO  23   8.820   2.612   1.223
  144    H    THR  24           H        THR  24   6.874   0.121  -2.553
  145    HA   THR  24           HA       THR  24   8.745  -1.931  -3.471
  146    HB   THR  24           HB       THR  24   6.845  -3.441  -3.545
  147    HG1  THR  24           HG1      THR  24   5.110  -2.276  -4.171
  148   HG21  THR  24          3HG2      THR  24   6.186  -3.446  -1.200
  149   HG22  THR  24          1HG2      THR  24   6.721  -1.774  -1.026
  150   HG23  THR  24          2HG2      THR  24   7.898  -3.050  -1.348
  151    H    PHE  25           H        PHE  25   8.547  -2.907  -5.548
  152    HA   PHE  25           HA       PHE  25   7.477  -1.056  -7.555
  153    HB2  PHE  25           2HB      PHE  25   9.923  -2.667  -7.397
  154    HB3  PHE  25           3HB      PHE  25   9.111  -2.755  -8.953
  155    HD1  PHE  25           HD1      PHE  25  10.507  -0.367  -6.470
  156    HD2  PHE  25           HD2      PHE  25   9.314  -1.029 -10.506
  157    HE1  PHE  25           HE1      PHE  25  11.502   1.788  -7.118
  158    HE2  PHE  25           HE2      PHE  25  10.301   1.124 -11.156
  159    HZ   PHE  25           HZ       PHE  25  11.400   2.538  -9.463
  160    HA   PRO  26           HA       PRO  26   7.126  -1.042  -9.755
  161    HB2  PRO  26           2HB      PRO  26   4.489  -0.963 -10.915
  162    HB3  PRO  26           3HB      PRO  26   6.031  -1.290 -11.722
  163    HG2  PRO  26           2HG      PRO  26   4.050  -3.142 -11.401
  164    HG3  PRO  26           3HG      PRO  26   5.768  -3.537 -11.604
  165    HD2  PRO  26           2HD      PRO  26   4.128  -3.469  -9.109
  166    HD3  PRO  26           3HD      PRO  26   5.413  -4.599  -9.588
  167    H    GLU  27           H        GLU  27   4.101  -1.669  -8.047
  168    HA   GLU  27           HA       GLU  27   3.950   1.177  -7.328
  169    HB2  GLU  27           2HB      GLU  27   1.496   0.678  -6.829
  170    HB3  GLU  27           3HB      GLU  27   1.973   0.720  -8.518
  171    HG2  GLU  27           2HG      GLU  27   2.193  -1.851  -8.269
  172    HG3  GLU  27           3HG      GLU  27   1.199  -1.626  -6.832
  173    HA   PRO  28           HA       PRO  28   4.820   0.128  -3.084
  174    HB2  PRO  28           2HB      PRO  28   3.348   2.054  -1.776
  175    HB3  PRO  28           3HB      PRO  28   4.926   2.350  -2.537
  176    HG2  PRO  28           2HG      PRO  28   2.197   2.923  -3.576
  177    HG3  PRO  28           3HG      PRO  28   3.670   3.908  -3.671
  178    HD2  PRO  28           2HD      PRO  28   2.799   2.476  -5.768
  179    HD3  PRO  28           3HD      PRO  28   4.529   2.694  -5.437
  180    H    ILE  29           H        ILE  29   3.942  -0.723  -1.160
  181    HA   ILE  29           HA       ILE  29   1.116  -1.568  -1.316
  182    HB   ILE  29           HB       ILE  29   3.294  -3.238  -0.046
  183   HG12  ILE  29          2HG1      ILE  29   3.926  -3.119  -2.379
  184   HG13  ILE  29          3HG1      ILE  29   3.250  -4.707  -2.061
  185   HG21  ILE  29          1HG2      ILE  29   0.505  -3.962  -0.934
  186   HG22  ILE  29          2HG2      ILE  29   1.065  -3.763   0.726
  187   HG23  ILE  29          3HG2      ILE  29   1.687  -5.086  -0.261
  188   HD11  ILE  29          3HD1      ILE  29   1.195  -4.100  -3.185
  189   HD12  ILE  29          1HD1      ILE  29   2.570  -3.771  -4.241
  190   HD13  ILE  29          2HD1      ILE  29   1.765  -2.443  -3.400
  191    H    CYS  30           H        CYS  30   0.054  -1.888   0.721
  192    HA   CYS  30           HA       CYS  30   0.978  -0.043   2.771
  193    HB2  CYS  30           2HB      CYS  30  -1.619  -1.318   2.042
  194    HB3  CYS  30           3HB      CYS  30  -1.387  -0.845   3.713
  195    H    GLY  31           H        GLY  31   2.098  -0.733   4.475
  196    HA2  GLY  31           2HA      GLY  31   1.416  -3.218   5.815
  197    HA3  GLY  31           3HA      GLY  31   3.017  -3.171   5.104
  198    H    VAL  32           H        VAL  32   2.030  -3.326   7.931
  199    HA   VAL  32           HA       VAL  32   3.043  -0.854   9.097
  200    HB   VAL  32           HB       VAL  32   2.544  -2.128  11.319
  201   HG11  VAL  32          1HG1      VAL  32   1.245  -0.223  10.227
  202   HG12  VAL  32          2HG1      VAL  32   0.392  -1.226  11.398
  203   HG13  VAL  32          3HG1      VAL  32   0.127  -1.472   9.675
  204   HG21  VAL  32          3HG2      VAL  32   0.840  -3.836  11.219
  205   HG22  VAL  32          1HG2      VAL  32   2.232  -4.355  10.268
  206   HG23  VAL  32          2HG2      VAL  32   0.790  -3.736   9.460
  Start of MODEL   12
    1    H1   PCA   1           HN       PCA   1 -17.416   0.618   1.909
    2    HA   PCA   1           HA       PCA   1 -15.550   2.115   2.828
    3    HB2  PCA   1           1HB      PCA   1 -13.935  -0.113   3.747
    4    HB3  PCA   1           2HB      PCA   1 -14.423   1.320   4.418
    5    HG2  PCA   1           1HG      PCA   1 -15.661  -1.230   5.043
    6    HG3  PCA   1           2HG      PCA   1 -15.980   0.319   5.534
    7    H    TRP   2           H        TRP   2 -13.658   2.541   1.670
    8    HA   TRP   2           HA       TRP   2 -12.793   0.623  -0.353
    9    HB2  TRP   2           2HB      TRP   2 -13.531   3.495  -0.975
   10    HB3  TRP   2           3HB      TRP   2 -12.745   2.388  -2.092
   11    HD1  TRP   2           HD1      TRP   2 -16.124   3.052  -0.419
   12    HE1  TRP   2           HE1      TRP   2 -17.954   1.801  -1.719
   13    HE3  TRP   2           HE3      TRP   2 -13.169   0.386  -3.645
   14    HZ2  TRP   2           HZ2      TRP   2 -18.132  -0.061  -3.830
   15    HZ3  TRP   2           HZ3      TRP   2 -14.255  -1.105  -5.272
   16    HH2  TRP   2           HH2      TRP   2 -16.684  -1.323  -5.362
   17    H    CYS   3           H        CYS   3 -10.891   0.295   0.601
   18    HA   CYS   3           HA       CYS   3  -8.856   2.327   0.337
   19    HB2  CYS   3           2HB      CYS   3  -8.056   2.187   2.662
   20    HB3  CYS   3           3HB      CYS   3  -9.695   2.824   2.597
   21    H    ALA   4           H        ALA   4  -6.677   1.478   0.714
   22    HA   ALA   4           HA       ALA   4  -6.448  -1.270  -0.205
   23    HB1  ALA   4           3HB      ALA   4  -4.077  -0.719  -0.537
   24    HB2  ALA   4           1HB      ALA   4  -4.336   0.849   0.231
   25    HB3  ALA   4           2HB      ALA   4  -5.130   0.474  -1.299
   26    H    GLU   5           H        GLU   5  -6.182  -2.923   1.138
   27    HA   GLU   5           HA       GLU   5  -5.497  -2.440   3.923
   28    HB2  GLU   5           2HB      GLU   5  -6.250  -4.735   4.323
   29    HB3  GLU   5           3HB      GLU   5  -7.454  -3.827   3.426
   30    HG2  GLU   5           2HG      GLU   5  -6.577  -4.928   1.343
   31    HG3  GLU   5           3HG      GLU   5  -5.605  -5.960   2.385
   32    H    GLU   6           H        GLU   6  -4.439  -5.129   4.394
   33    HA   GLU   6           HA       GLU   6  -1.660  -4.559   3.854
   34    HB2  GLU   6           2HB      GLU   6  -1.237  -6.618   5.243
   35    HB3  GLU   6           3HB      GLU   6  -2.107  -5.331   6.059
   36    HG2  GLU   6           2HG      GLU   6  -4.210  -6.546   5.732
   37    HG3  GLU   6           3HG      GLU   6  -3.334  -7.836   4.911
   38    H    GLY   7           H        GLY   7  -0.728  -5.100   2.040
   39    HA2  GLY   7           2HA      GLY   7   0.194  -6.812   0.626
   40    HA3  GLY   7           3HA      GLY   7  -1.275  -7.744   0.859
   41    H    GLU   8           H        GLU   8  -2.045  -4.526   0.407
   42    HA   GLU   8           HA       GLU   8  -2.560  -4.942  -2.464
   43    HB2  GLU   8           2HB      GLU   8  -4.169  -3.517  -0.349
   44    HB3  GLU   8           3HB      GLU   8  -4.421  -3.212  -2.061
   45    HG2  GLU   8           2HG      GLU   8  -4.557  -5.985  -0.927
   46    HG3  GLU   8           3HG      GLU   8  -5.946  -4.901  -0.894
   47    H    SER   9           H        SER   9  -2.579  -2.987  -3.795
   48    HA   SER   9           HA       SER   9  -0.293  -1.331  -3.222
   49    HB2  SER   9           2HB      SER   9  -0.733  -0.397  -5.488
   50    HB3  SER   9           3HB      SER   9  -0.604  -2.155  -5.472
   51    HG   SER   9           HG       SER   9  -2.517  -2.197  -6.308
   52    H    CYS  10           H        CYS  10  -0.237   0.694  -2.513
   53    HA   CYS  10           HA       CYS  10  -2.790   2.041  -1.977
   54    HB2  CYS  10           2HB      CYS  10  -1.593   3.342  -0.305
   55    HB3  CYS  10           3HB      CYS  10  -1.313   1.627  -0.041
   56    H    GLU  11           H        GLU  11  -1.489   1.985  -4.599
   57    HA   GLU  11           HA       GLU  11  -0.441   4.644  -5.055
   58    HB2  GLU  11           2HB      GLU  11  -0.174   3.936  -7.377
   59    HB3  GLU  11           3HB      GLU  11   0.487   2.734  -6.281
   60    HG2  GLU  11           2HG      GLU  11  -0.614   1.294  -7.623
   61    HG3  GLU  11           3HG      GLU  11  -2.002   1.740  -6.629
   62    H    VAL  12           H        VAL  12  -3.510   3.289  -4.852
   63    HA   VAL  12           HA       VAL  12  -4.685   5.509  -6.379
   64    HB   VAL  12           HB       VAL  12  -5.053   3.357  -7.528
   65   HG11  VAL  12          1HG1      VAL  12  -5.212   1.575  -6.147
   66   HG12  VAL  12          2HG1      VAL  12  -6.937   1.907  -6.307
   67   HG13  VAL  12          3HG1      VAL  12  -6.054   2.479  -4.891
   68   HG21  VAL  12          3HG2      VAL  12  -7.531   4.644  -6.414
   69   HG22  VAL  12          1HG2      VAL  12  -7.522   3.502  -7.758
   70   HG23  VAL  12          2HG2      VAL  12  -6.682   5.046  -7.907
   71    H    TYR  13           H        TYR  13  -5.010   3.345  -3.596
   72    HA   TYR  13           HA       TYR  13  -6.554   5.424  -2.216
   73    HB2  TYR  13           2HB      TYR  13  -7.099   2.506  -2.488
   74    HB3  TYR  13           3HB      TYR  13  -7.524   3.306  -0.992
   75    HD1  TYR  13           HD2      TYR  13  -8.147   3.276  -4.640
   76    HD2  TYR  13           HD1      TYR  13  -9.450   4.677  -0.839
   77    HE1  TYR  13           HE2      TYR  13 -10.252   4.034  -5.650
   78    HE2  TYR  13           HE1      TYR  13 -11.561   5.434  -1.839
   79    HH   TYR  13           HH       TYR  13 -12.427   6.087  -4.049
   80    HA   PRO  14           HA       PRO  14  -3.569   5.027   1.082
   81    HB2  PRO  14           2HB      PRO  14  -5.100   5.673   3.248
   82    HB3  PRO  14           3HB      PRO  14  -4.587   6.874   2.048
   83    HG2  PRO  14           2HG      PRO  14  -7.213   5.480   2.312
   84    HG3  PRO  14           3HG      PRO  14  -6.871   7.185   1.951
   85    HD2  PRO  14           2HD      PRO  14  -7.523   5.395   0.032
   86    HD3  PRO  14           3HD      PRO  14  -6.443   6.766  -0.265
   87    H    CYS  15           H        CYS  15  -3.552   4.069   3.536
   88    HA   CYS  15           HA       CYS  15  -4.150   1.261   3.242
   89    HB2  CYS  15           2HB      CYS  15  -2.978   2.695   5.631
   90    HB3  CYS  15           3HB      CYS  15  -2.971   0.970   5.345
   91    H    CYS  16           H        CYS  16  -5.039   0.159   5.416
   92    HA   CYS  16           HA       CYS  16  -7.561   1.553   6.015
   93    HB2  CYS  16           2HB      CYS  16  -7.104  -1.425   5.879
   94    HB3  CYS  16           3HB      CYS  16  -8.646  -0.619   6.156
   95    H    ASP  17           H        ASP  17  -5.404  -0.942   7.413
   96    HA   ASP  17           HA       ASP  17  -6.439  -0.422  10.075
   97    HB2  ASP  17           2HB      ASP  17  -4.431  -2.397   8.992
   98    HB3  ASP  17           3HB      ASP  17  -4.772  -2.241  10.712
   99    H    GLY  18           H        GLY  18  -4.534   1.434   8.406
  100    HA2  GLY  18           2HA      GLY  18  -3.201   3.190   9.204
  101    HA3  GLY  18           3HA      GLY  18  -2.990   2.316  10.715
  102    H    LEU  19           H        LEU  19  -2.447   1.011   7.505
  103    HA   LEU  19           HA       LEU  19   0.215   0.156   8.173
  104    HB2  LEU  19           2HB      LEU  19  -1.238  -0.006   5.544
  105    HB3  LEU  19           3HB      LEU  19   0.179  -0.923   5.994
  106    HG   LEU  19           HG       LEU  19  -2.200  -1.267   7.732
  107   HD11  LEU  19          1HD1      LEU  19  -2.095  -2.500   4.982
  108   HD12  LEU  19          2HD1      LEU  19  -3.198  -1.211   5.473
  109   HD13  LEU  19          3HD1      LEU  19  -3.302  -2.799   6.232
  110   HD21  LEU  19          3HD2      LEU  19  -1.278  -3.283   8.179
  111   HD22  LEU  19          1HD2      LEU  19   0.182  -2.467   7.626
  112   HD23  LEU  19          2HD2      LEU  19  -0.712  -3.516   6.527
  113    H    ILE  20           H        ILE  20   2.013   0.466   6.596
  114    HA   ILE  20           HA       ILE  20   2.164   3.288   5.765
  115    HB   ILE  20           HB       ILE  20   4.402   1.377   6.509
  116   HG12  ILE  20          2HG1      ILE  20   4.052   3.909   7.990
  117   HG13  ILE  20          3HG1      ILE  20   2.754   2.739   8.209
  118   HG21  ILE  20          1HG2      ILE  20   5.392   2.759   4.904
  119   HG22  ILE  20          2HG2      ILE  20   5.780   3.563   6.428
  120   HG23  ILE  20          3HG2      ILE  20   4.471   4.176   5.414
  121   HD11  ILE  20          3HD1      ILE  20   5.681   2.244   8.711
  122   HD12  ILE  20          1HD1      ILE  20   4.385   1.069   8.930
  123   HD13  ILE  20          2HD1      ILE  20   4.442   2.515   9.937
  124    H    CYS  21           H        CYS  21   2.918   3.824   3.746
  125    HA   CYS  21           HA       CYS  21   2.672   1.811   1.684
  126    HB2  CYS  21           2HB      CYS  21   3.043   4.795   1.720
  127    HB3  CYS  21           3HB      CYS  21   3.246   3.889   0.221
  128    H    TYR  22           H        TYR  22   4.341   0.475   1.520
  129    HA   TYR  22           HA       TYR  22   7.059   1.295   1.937
  130    HB2  TYR  22           2HB      TYR  22   5.677  -1.276   1.289
  131    HB3  TYR  22           3HB      TYR  22   7.418  -1.150   1.060
  132    HD1  TYR  22           HD1      TYR  22   8.910  -0.882   2.950
  133    HD2  TYR  22           HD2      TYR  22   4.712  -1.253   3.520
  134    HE1  TYR  22           HE1      TYR  22   9.282  -1.330   5.339
  135    HE2  TYR  22           HE2      TYR  22   5.070  -1.703   5.911
  136    HH   TYR  22           HH       TYR  22   8.041  -1.173   7.459
  137    HA   PRO  23           HA       PRO  23   7.957   2.377  -2.296
  138    HB2  PRO  23           2HB      PRO  23  10.682   2.202  -2.220
  139    HB3  PRO  23           3HB      PRO  23   9.786   3.530  -1.460
  140    HG2  PRO  23           2HG      PRO  23  10.968   1.098  -0.209
  141    HG3  PRO  23           3HG      PRO  23  10.950   2.774   0.377
  142    HD2  PRO  23           2HD      PRO  23   9.234   0.871   1.300
  143    HD3  PRO  23           3HD      PRO  23   8.829   2.590   1.230
  144    H    THR  24           H        THR  24   6.878   0.113  -2.552
  145    HA   THR  24           HA       THR  24   8.743  -1.942  -3.474
  146    HB   THR  24           HB       THR  24   6.840  -3.448  -3.550
  147    HG1  THR  24           HG1      THR  24   5.041  -1.606  -2.495
  148   HG21  THR  24          3HG2      THR  24   7.895  -3.060  -1.351
  149   HG22  THR  24          1HG2      THR  24   6.182  -3.457  -1.205
  150   HG23  THR  24          2HG2      THR  24   6.719  -1.785  -1.028
  151    H    PHE  25           H        PHE  25   8.547  -2.910  -5.553
  152    HA   PHE  25           HA       PHE  25   7.481  -1.054  -7.556
  153    HB2  PHE  25           2HB      PHE  25   9.923  -2.671  -7.400
  154    HB3  PHE  25           3HB      PHE  25   9.110  -2.753  -8.957
  155    HD1  PHE  25           HD1      PHE  25  10.515  -0.376  -6.468
  156    HD2  PHE  25           HD2      PHE  25   9.319  -1.023 -10.505
  157    HE1  PHE  25           HE1      PHE  25  11.516   1.779  -7.109
  158    HE2  PHE  25           HE2      PHE  25  10.313   1.129 -11.148
  159    HZ   PHE  25           HZ       PHE  25  11.415   2.534  -9.451
  160    HA   PRO  26           HA       PRO  26   7.132  -1.032  -9.755
  161    HB2  PRO  26           2HB      PRO  26   4.495  -0.945 -10.915
  162    HB3  PRO  26           3HB      PRO  26   6.035  -1.273 -11.723
  163    HG2  PRO  26           2HG      PRO  26   4.051  -3.122 -11.409
  164    HG3  PRO  26           3HG      PRO  26   5.768  -3.519 -11.609
  165    HD2  PRO  26           2HD      PRO  26   4.126  -3.453  -9.117
  166    HD3  PRO  26           3HD      PRO  26   5.408  -4.586  -9.597
  167    H    GLU  27           H        GLU  27   4.102  -1.659  -8.050
  168    HA   GLU  27           HA       GLU  27   3.958   1.187  -7.323
  169    HB2  GLU  27           2HB      GLU  27   1.503   0.691  -6.827
  170    HB3  GLU  27           3HB      GLU  27   1.979   0.736  -8.515
  171    HG2  GLU  27           2HG      GLU  27   2.197  -1.839  -8.270
  172    HG3  GLU  27           3HG      GLU  27   1.200  -1.614  -6.835
  173    HA   PRO  28           HA       PRO  28   4.823   0.126  -3.081
  174    HB2  PRO  28           2HB      PRO  28   3.357   2.053  -1.770
  175    HB3  PRO  28           3HB      PRO  28   4.936   2.348  -2.531
  176    HG2  PRO  28           2HG      PRO  28   2.208   2.929  -3.568
  177    HG3  PRO  28           3HG      PRO  28   3.682   3.912  -3.662
  178    HD2  PRO  28           2HD      PRO  28   2.808   2.485  -5.760
  179    HD3  PRO  28           3HD      PRO  28   4.538   2.699  -5.431
  180    H    ILE  29           H        ILE  29   3.944  -0.725  -1.158
  181    HA   ILE  29           HA       ILE  29   1.116  -1.565  -1.316
  182    HB   ILE  29           HB       ILE  29   3.292  -3.239  -0.047
  183   HG12  ILE  29          2HG1      ILE  29   3.922  -3.119  -2.380
  184   HG13  ILE  29          3HG1      ILE  29   3.243  -4.705  -2.064
  185   HG21  ILE  29          1HG2      ILE  29   0.501  -3.959  -0.935
  186   HG22  ILE  29          2HG2      ILE  29   1.061  -3.761   0.724
  187   HG23  ILE  29          3HG2      ILE  29   1.681  -5.084  -0.263
  188   HD11  ILE  29          3HD1      ILE  29   1.191  -4.094  -3.187
  189   HD12  ILE  29          1HD1      ILE  29   2.567  -3.765  -4.242
  190   HD13  ILE  29          2HD1      ILE  29   1.764  -2.438  -3.399
  191    H    CYS  30           H        CYS  30   0.051  -1.883   0.719
  192    HA   CYS  30           HA       CYS  30   0.977  -0.041   2.771
  193    HB2  CYS  30           2HB      CYS  30  -1.621  -1.313   2.040
  194    HB3  CYS  30           3HB      CYS  30  -1.390  -0.840   3.711
  195    H    GLY  31           H        GLY  31   2.096  -0.734   4.474
  196    HA2  GLY  31           2HA      GLY  31   1.409  -3.216   5.816
  197    HA3  GLY  31           3HA      GLY  31   3.008  -3.174   5.103
  198    H    VAL  32           H        VAL  32   2.023  -3.323   7.931
  199    HA   VAL  32           HA       VAL  32   3.047  -0.854   9.093
  200    HB   VAL  32           HB       VAL  32   2.548  -2.121  11.318
  201   HG11  VAL  32          1HG1      VAL  32   0.129  -1.461   9.676
  202   HG12  VAL  32          2HG1      VAL  32   1.251  -0.216  10.221
  203   HG13  VAL  32          3HG1      VAL  32   0.398  -1.211  11.399
  204   HG21  VAL  32          3HG2      VAL  32   0.830  -3.819  11.219
  205   HG22  VAL  32          1HG2      VAL  32   2.226  -4.350  10.281
  206   HG23  VAL  32          2HG2      VAL  32   0.793  -3.730   9.458
  Start of MODEL   13
    1    H1   PCA   1           HN       PCA   1 -17.418   0.665   1.878
    2    HA   PCA   1           HA       PCA   1 -15.547   2.148   2.811
    3    HB2  PCA   1           1HB      PCA   1 -13.946  -0.096   3.720
    4    HB3  PCA   1           2HB      PCA   1 -14.429   1.334   4.401
    5    HG2  PCA   1           1HG      PCA   1 -15.681  -1.214   5.004
    6    HG3  PCA   1           2HG      PCA   1 -15.994   0.334   5.505
    7    H    TRP   2           H        TRP   2 -13.651   2.571   1.660
    8    HA   TRP   2           HA       TRP   2 -12.788   0.660  -0.370
    9    HB2  TRP   2           2HB      TRP   2 -13.514   3.538  -0.980
   10    HB3  TRP   2           3HB      TRP   2 -12.729   2.433  -2.101
   11    HD1  TRP   2           HD1      TRP   2 -16.109   3.100  -0.430
   12    HE1  TRP   2           HE1      TRP   2 -17.942   1.866  -1.743
   13    HE3  TRP   2           HE3      TRP   2 -13.157   0.445  -3.668
   14    HZ2  TRP   2           HZ2      TRP   2 -18.123   0.019  -3.868
   15    HZ3  TRP   2           HZ3      TRP   2 -14.246  -1.030  -5.308
   16    HH2  TRP   2           HH2      TRP   2 -16.676  -1.239  -5.404
   17    H    CYS   3           H        CYS   3 -10.888   0.320   0.589
   18    HA   CYS   3           HA       CYS   3  -8.846   2.343   0.337
   19    HB2  CYS   3           2HB      CYS   3  -8.054   2.201   2.664
   20    HB3  CYS   3           3HB      CYS   3  -9.692   2.837   2.595
   21    H    ALA   4           H        ALA   4  -6.672   1.487   0.715
   22    HA   ALA   4           HA       ALA   4  -6.450  -1.260  -0.205
   23    HB1  ALA   4           3HB      ALA   4  -5.124   0.474  -1.300
   24    HB2  ALA   4           1HB      ALA   4  -4.073  -0.715  -0.529
   25    HB3  ALA   4           2HB      ALA   4  -4.337   0.857   0.230
   26    H    GLU   5           H        GLU   5  -6.176  -2.920   1.131
   27    HA   GLU   5           HA       GLU   5  -5.502  -2.435   3.919
   28    HB2  GLU   5           2HB      GLU   5  -6.257  -4.730   4.318
   29    HB3  GLU   5           3HB      GLU   5  -7.458  -3.822   3.419
   30    HG2  GLU   5           2HG      GLU   5  -6.580  -4.921   1.338
   31    HG3  GLU   5           3HG      GLU   5  -5.610  -5.955   2.380
   32    H    GLU   6           H        GLU   6  -4.447  -5.125   4.392
   33    HA   GLU   6           HA       GLU   6  -1.667  -4.560   3.855
   34    HB2  GLU   6           2HB      GLU   6  -1.249  -6.616   5.250
   35    HB3  GLU   6           3HB      GLU   6  -2.118  -5.328   6.062
   36    HG2  GLU   6           2HG      GLU   6  -4.222  -6.539   5.738
   37    HG3  GLU   6           3HG      GLU   6  -3.348  -7.831   4.916
   38    H    GLY   7           H        GLY   7  -0.730  -5.109   2.048
   39    HA2  GLY   7           2HA      GLY   7   0.190  -6.822   0.635
   40    HA3  GLY   7           3HA      GLY   7  -1.281  -7.754   0.871
   41    H    GLU   8           H        GLU   8  -2.041  -4.532   0.411
   42    HA   GLU   8           HA       GLU   8  -2.557  -4.956  -2.460
   43    HB2  GLU   8           2HB      GLU   8  -4.169  -3.531  -0.347
   44    HB3  GLU   8           3HB      GLU   8  -4.421  -3.224  -2.059
   45    HG2  GLU   8           2HG      GLU   8  -4.557  -5.998  -0.926
   46    HG3  GLU   8           3HG      GLU   8  -5.946  -4.914  -0.898
   47    H    SER   9           H        SER   9  -2.582  -2.999  -3.792
   48    HA   SER   9           HA       SER   9  -0.296  -1.343  -3.223
   49    HB2  SER   9           2HB      SER   9  -0.738  -0.410  -5.488
   50    HB3  SER   9           3HB      SER   9  -0.610  -2.168  -5.471
   51    HG   SER   9           HG       SER   9  -2.955  -2.179  -5.382
   52    H    CYS  10           H        CYS  10  -0.240   0.685  -2.517
   53    HA   CYS  10           HA       CYS  10  -2.792   2.032  -1.984
   54    HB2  CYS  10           2HB      CYS  10  -1.601   3.330  -0.305
   55    HB3  CYS  10           3HB      CYS  10  -1.325   1.612  -0.043
   56    H    GLU  11           H        GLU  11  -1.488   1.979  -4.603
   57    HA   GLU  11           HA       GLU  11  -0.428   4.631  -5.052
   58    HB2  GLU  11           2HB      GLU  11  -0.165   3.928  -7.377
   59    HB3  GLU  11           3HB      GLU  11   0.491   2.722  -6.282
   60    HG2  GLU  11           2HG      GLU  11  -0.618   1.289  -7.627
   61    HG3  GLU  11           3HG      GLU  11  -2.003   1.741  -6.631
   62    H    VAL  12           H        VAL  12  -3.504   3.293  -4.853
   63    HA   VAL  12           HA       VAL  12  -4.665   5.524  -6.375
   64    HB   VAL  12           HB       VAL  12  -5.043   3.377  -7.529
   65   HG11  VAL  12          1HG1      VAL  12  -6.938   1.937  -6.312
   66   HG12  VAL  12          2HG1      VAL  12  -6.050   2.495  -4.894
   67   HG13  VAL  12          3HG1      VAL  12  -5.216   1.590  -6.155
   68   HG21  VAL  12          3HG2      VAL  12  -7.510   3.538  -7.765
   69   HG22  VAL  12          1HG2      VAL  12  -6.664   5.078  -7.900
   70   HG23  VAL  12          2HG2      VAL  12  -7.519   4.671  -6.413
   71    H    TYR  13           H        TYR  13  -4.999   3.358  -3.595
   72    HA   TYR  13           HA       TYR  13  -6.538   5.440  -2.212
   73    HB2  TYR  13           2HB      TYR  13  -7.093   2.524  -2.490
   74    HB3  TYR  13           3HB      TYR  13  -7.516   3.323  -0.993
   75    HD1  TYR  13           HD2      TYR  13  -8.139   3.302  -4.640
   76    HD2  TYR  13           HD1      TYR  13  -9.435   4.703  -0.838
   77    HE1  TYR  13           HE2      TYR  13 -10.240   4.070  -5.650
   78    HE2  TYR  13           HE1      TYR  13 -11.544   5.470  -1.836
   79    HH   TYR  13           HH       TYR  13 -12.546   4.568  -4.949
   80    HA   PRO  14           HA       PRO  14  -3.555   5.026   1.086
   81    HB2  PRO  14           2HB      PRO  14  -5.085   5.673   3.253
   82    HB3  PRO  14           3HB      PRO  14  -4.566   6.876   2.056
   83    HG2  PRO  14           2HG      PRO  14  -7.197   5.490   2.316
   84    HG3  PRO  14           3HG      PRO  14  -6.849   7.195   1.958
   85    HD2  PRO  14           2HD      PRO  14  -7.506   5.409   0.035
   86    HD3  PRO  14           3HD      PRO  14  -6.423   6.777  -0.259
   87    H    CYS  15           H        CYS  15  -3.546   4.068   3.540
   88    HA   CYS  15           HA       CYS  15  -4.147   1.262   3.244
   89    HB2  CYS  15           2HB      CYS  15  -2.974   2.692   5.633
   90    HB3  CYS  15           3HB      CYS  15  -2.969   0.965   5.346
   91    H    CYS  16           H        CYS  16  -5.039   0.160   5.415
   92    HA   CYS  16           HA       CYS  16  -7.557   1.560   6.019
   93    HB2  CYS  16           2HB      CYS  16  -7.113  -1.420   5.876
   94    HB3  CYS  16           3HB      CYS  16  -8.651  -0.608   6.150
   95    H    ASP  17           H        ASP  17  -5.410  -0.952   7.404
   96    HA   ASP  17           HA       ASP  17  -6.442  -0.441  10.069
   97    HB2  ASP  17           2HB      ASP  17  -4.431  -2.409   8.976
   98    HB3  ASP  17           3HB      ASP  17  -4.772  -2.262  10.697
   99    H    GLY  18           H        GLY  18  -4.536   1.423   8.408
  100    HA2  GLY  18           2HA      GLY  18  -3.204   3.176   9.215
  101    HA3  GLY  18           3HA      GLY  18  -2.993   2.296  10.722
  102    H    LEU  19           H        LEU  19  -2.449   0.998   7.509
  103    HA   LEU  19           HA       LEU  19   0.214   0.149   8.175
  104    HB2  LEU  19           2HB      LEU  19  -1.240  -0.014   5.545
  105    HB3  LEU  19           3HB      LEU  19   0.179  -0.927   5.994
  106    HG   LEU  19           HG       LEU  19  -2.194  -1.279   7.736
  107   HD11  LEU  19          1HD1      LEU  19  -3.302  -2.805   6.233
  108   HD12  LEU  19          2HD1      LEU  19  -2.102  -2.502   4.981
  109   HD13  LEU  19          3HD1      LEU  19  -3.202  -1.215   5.481
  110   HD21  LEU  19          3HD2      LEU  19  -1.273  -3.302   8.166
  111   HD22  LEU  19          1HD2      LEU  19   0.186  -2.476   7.621
  112   HD23  LEU  19          2HD2      LEU  19  -0.706  -3.519   6.513
  113    H    ILE  20           H        ILE  20   2.010   0.464   6.593
  114    HA   ILE  20           HA       ILE  20   2.155   3.287   5.767
  115    HB   ILE  20           HB       ILE  20   4.398   1.382   6.507
  116   HG12  ILE  20          2HG1      ILE  20   4.043   3.909   7.993
  117   HG13  ILE  20          3HG1      ILE  20   2.747   2.738   8.209
  118   HG21  ILE  20          1HG2      ILE  20   5.383   2.770   4.905
  119   HG22  ILE  20          2HG2      ILE  20   5.769   3.573   6.430
  120   HG23  ILE  20          3HG2      ILE  20   4.457   4.183   5.416
  121   HD11  ILE  20          3HD1      ILE  20   4.435   2.512   9.936
  122   HD12  ILE  20          1HD1      ILE  20   5.674   2.245   8.710
  123   HD13  ILE  20          2HD1      ILE  20   4.378   1.068   8.927
  124    H    CYS  21           H        CYS  21   2.907   3.828   3.748
  125    HA   CYS  21           HA       CYS  21   2.666   1.816   1.685
  126    HB2  CYS  21           2HB      CYS  21   3.024   4.799   1.724
  127    HB3  CYS  21           3HB      CYS  21   3.234   3.897   0.224
  128    H    TYR  22           H        TYR  22   4.337   0.486   1.514
  129    HA   TYR  22           HA       TYR  22   7.053   1.315   1.930
  130    HB2  TYR  22           2HB      TYR  22   5.682  -1.262   1.288
  131    HB3  TYR  22           3HB      TYR  22   7.424  -1.129   1.059
  132    HD1  TYR  22           HD2      TYR  22   8.911  -0.841   2.954
  133    HD2  TYR  22           HD1      TYR  22   4.714  -1.246   3.514
  134    HE1  TYR  22           HE2      TYR  22   9.281  -1.281   5.343
  135    HE2  TYR  22           HE1      TYR  22   5.071  -1.689   5.909
  136    HH   TYR  22           HH       TYR  22   8.035  -1.131   7.460
  137    HA   PRO  23           HA       PRO  23   7.942   2.394  -2.307
  138    HB2  PRO  23           2HB      PRO  23  10.669   2.227  -2.234
  139    HB3  PRO  23           3HB      PRO  23   9.767   3.554  -1.475
  140    HG2  PRO  23           2HG      PRO  23  10.961   1.129  -0.220
  141    HG3  PRO  23           3HG      PRO  23  10.937   2.807   0.361
  142    HD2  PRO  23           2HD      PRO  23   9.229   0.899   1.292
  143    HD3  PRO  23           3HD      PRO  23   8.818   2.619   1.217
  144    H    THR  24           H        THR  24   6.872   0.123  -2.555
  145    HA   THR  24           HA       THR  24   8.744  -1.926  -3.474
  146    HB   THR  24           HB       THR  24   6.846  -3.439  -3.545
  147    HG1  THR  24           HG1      THR  24   5.053  -1.576  -2.503
  148   HG21  THR  24          3HG2      THR  24   7.902  -3.043  -1.349
  149   HG22  THR  24          1HG2      THR  24   6.192  -3.446  -1.199
  150   HG23  THR  24          2HG2      THR  24   6.721  -1.771  -1.026
  151    H    PHE  25           H        PHE  25   8.558  -2.895  -5.551
  152    HA   PHE  25           HA       PHE  25   7.478  -1.051  -7.556
  153    HB2  PHE  25           2HB      PHE  25   9.928  -2.656  -7.400
  154    HB3  PHE  25           3HB      PHE  25   9.116  -2.744  -8.956
  155    HD1  PHE  25           HD1      PHE  25  10.507  -0.354  -6.473
  156    HD2  PHE  25           HD2      PHE  25   9.316  -1.016 -10.508
  157    HE1  PHE  25           HE1      PHE  25  11.497   1.806  -7.118
  158    HE2  PHE  25           HE2      PHE  25  10.296   1.141 -11.156
  159    HZ   PHE  25           HZ       PHE  25  11.391   2.556  -9.461
  160    HA   PRO  26           HA       PRO  26   7.129  -1.037  -9.757
  161    HB2  PRO  26           2HB      PRO  26   4.491  -0.965 -10.916
  162    HB3  PRO  26           3HB      PRO  26   6.033  -1.288 -11.724
  163    HG2  PRO  26           2HG      PRO  26   4.058  -3.145 -11.404
  164    HG3  PRO  26           3HG      PRO  26   5.775  -3.535 -11.606
  165    HD2  PRO  26           2HD      PRO  26   4.135  -3.472  -9.112
  166    HD3  PRO  26           3HD      PRO  26   5.424  -4.596  -9.590
  167    H    GLU  27           H        GLU  27   4.105  -1.672  -8.047
  168    HA   GLU  27           HA       GLU  27   3.948   1.174  -7.328
  169    HB2  GLU  27           2HB      GLU  27   1.496   0.674  -6.833
  170    HB3  GLU  27           3HB      GLU  27   1.973   0.710  -8.520
  171    HG2  GLU  27           2HG      GLU  27   2.195  -1.860  -8.263
  172    HG3  GLU  27           3HG      GLU  27   1.200  -1.632  -6.826
  173    HA   PRO  28           HA       PRO  28   4.818   0.128  -3.084
  174    HB2  PRO  28           2HB      PRO  28   3.344   2.052  -1.777
  175    HB3  PRO  28           3HB      PRO  28   4.922   2.351  -2.539
  176    HG2  PRO  28           2HG      PRO  28   2.192   2.920  -3.578
  177    HG3  PRO  28           3HG      PRO  28   3.663   3.907  -3.675
  178    HD2  PRO  28           2HD      PRO  28   2.794   2.472  -5.769
  179    HD3  PRO  28           3HD      PRO  28   4.524   2.693  -5.439
  180    H    ILE  29           H        ILE  29   3.942  -0.723  -1.159
  181    HA   ILE  29           HA       ILE  29   1.117  -1.569  -1.315
  182    HB   ILE  29           HB       ILE  29   3.295  -3.240  -0.046
  183   HG12  ILE  29          2HG1      ILE  29   3.924  -3.118  -2.380
  184   HG13  ILE  29          3HG1      ILE  29   3.251  -4.707  -2.061
  185   HG21  ILE  29          1HG2      ILE  29   1.688  -5.087  -0.260
  186   HG22  ILE  29          2HG2      ILE  29   0.506  -3.965  -0.933
  187   HG23  ILE  29          3HG2      ILE  29   1.066  -3.764   0.727
  188   HD11  ILE  29          3HD1      ILE  29   1.765  -2.446  -3.399
  189   HD12  ILE  29          1HD1      ILE  29   1.194  -4.102  -3.182
  190   HD13  ILE  29          2HD1      ILE  29   2.567  -3.775  -4.238
  191    H    CYS  30           H        CYS  30   0.055  -1.891   0.723
  192    HA   CYS  30           HA       CYS  30   0.979  -0.045   2.772
  193    HB2  CYS  30           2HB      CYS  30  -1.617  -1.322   2.044
  194    HB3  CYS  30           3HB      CYS  30  -1.386  -0.845   3.715
  195    H    GLY  31           H        GLY  31   2.101  -0.733   4.476
  196    HA2  GLY  31           2HA      GLY  31   1.420  -3.219   5.814
  197    HA3  GLY  31           3HA      GLY  31   3.021  -3.170   5.105
  198    H    VAL  32           H        VAL  32   2.029  -3.325   7.932
  199    HA   VAL  32           HA       VAL  32   3.038  -0.852   9.100
  200    HB   VAL  32           HB       VAL  32   2.542  -2.126  11.321
  201   HG11  VAL  32          1HG1      VAL  32   0.125  -1.473   9.672
  202   HG12  VAL  32          2HG1      VAL  32   1.238  -0.225  10.228
  203   HG13  VAL  32          3HG1      VAL  32   0.385  -1.229  11.397
  204   HG21  VAL  32          3HG2      VAL  32   2.233  -4.354  10.271
  205   HG22  VAL  32          1HG2      VAL  32   0.793  -3.739   9.459
  206   HG23  VAL  32          2HG2      VAL  32   0.840  -3.837  11.219
  Start of MODEL   14
    1    H1   PCA   1           HN       PCA   1 -17.412   0.615   1.920
    2    HA   PCA   1           HA       PCA   1 -15.542   2.102   2.849
    3    HB2  PCA   1           1HB      PCA   1 -13.930  -0.135   3.747
    4    HB3  PCA   1           2HB      PCA   1 -14.413   1.293   4.432
    5    HG2  PCA   1           1HG      PCA   1 -15.656  -1.259   5.039
    6    HG3  PCA   1           2HG      PCA   1 -15.971   0.289   5.540
    7    H    TRP   2           H        TRP   2 -13.652   2.537   1.691
    8    HA   TRP   2           HA       TRP   2 -12.791   0.632  -0.348
    9    HB2  TRP   2           2HB      TRP   2 -13.528   3.509  -0.949
   10    HB3  TRP   2           3HB      TRP   2 -12.745   2.410  -2.074
   11    HD1  TRP   2           HD1      TRP   2 -16.121   3.064  -0.389
   12    HE1  TRP   2           HE1      TRP   2 -17.955   1.827  -1.696
   13    HE3  TRP   2           HE3      TRP   2 -13.175   0.423  -3.643
   14    HZ2  TRP   2           HZ2      TRP   2 -18.138  -0.018  -3.822
   15    HZ3  TRP   2           HZ3      TRP   2 -14.264  -1.054  -5.281
   16    HH2  TRP   2           HH2      TRP   2 -16.695  -1.269  -5.367
   17    H    CYS   3           H        CYS   3 -10.887   0.297   0.603
   18    HA   CYS   3           HA       CYS   3  -8.853   2.329   0.348
   19    HB2  CYS   3           2HB      CYS   3  -8.049   2.175   2.673
   20    HB3  CYS   3           3HB      CYS   3  -9.686   2.814   2.613
   21    H    ALA   4           H        ALA   4  -6.674   1.483   0.703
   22    HA   ALA   4           HA       ALA   4  -6.447  -1.261  -0.226
   23    HB1  ALA   4           3HB      ALA   4  -4.081  -0.710  -0.575
   24    HB2  ALA   4           1HB      ALA   4  -4.328   0.851   0.212
   25    HB3  ALA   4           2HB      ALA   4  -5.134   0.496  -1.314
   26    H    GLU   5           H        GLU   5  -6.187  -2.918   1.113
   27    HA   GLU   5           HA       GLU   5  -5.497  -2.451   3.896
   28    HB2  GLU   5           2HB      GLU   5  -6.236  -4.753   4.280
   29    HB3  GLU   5           3HB      GLU   5  -7.445  -3.847   3.385
   30    HG2  GLU   5           2HG      GLU   5  -6.553  -4.928   1.297
   31    HG3  GLU   5           3HG      GLU   5  -5.581  -5.964   2.337
   32    H    GLU   6           H        GLU   6  -4.422  -5.133   4.355
   33    HA   GLU   6           HA       GLU   6  -1.647  -4.546   3.816
   34    HB2  GLU   6           2HB      GLU   6  -1.213  -6.603   5.205
   35    HB3  GLU   6           3HB      GLU   6  -2.090  -5.321   6.023
   36    HG2  GLU   6           2HG      GLU   6  -4.185  -6.547   5.697
   37    HG3  GLU   6           3HG      GLU   6  -3.304  -7.831   4.870
   38    H    GLY   7           H        GLY   7  -0.708  -5.083   2.008
   39    HA2  GLY   7           2HA      GLY   7   0.223  -6.797   0.596
   40    HA3  GLY   7           3HA      GLY   7  -1.249  -7.728   0.820
   41    H    GLU   8           H        GLU   8  -2.056  -4.530   0.379
   42    HA   GLU   8           HA       GLU   8  -2.539  -4.931  -2.499
   43    HB2  GLU   8           2HB      GLU   8  -4.164  -3.518  -0.389
   44    HB3  GLU   8           3HB      GLU   8  -4.408  -3.209  -2.101
   45    HG2  GLU   8           2HG      GLU   8  -4.540  -5.986  -0.976
   46    HG3  GLU   8           3HG      GLU   8  -5.933  -4.907  -0.947
   47    H    SER   9           H        SER   9  -2.560  -2.968  -3.825
   48    HA   SER   9           HA       SER   9  -0.282  -1.308  -3.229
   49    HB2  SER   9           2HB      SER   9  -0.730  -0.349  -5.488
   50    HB3  SER   9           3HB      SER   9  -0.561  -2.101  -5.488
   51    HG   SER   9           HG       SER   9  -2.458  -2.155  -6.364
   52    H    CYS  10           H        CYS  10  -0.231   0.715  -2.520
   53    HA   CYS  10           HA       CYS  10  -2.790   2.049  -1.979
   54    HB2  CYS  10           2HB      CYS  10  -1.599   3.349  -0.298
   55    HB3  CYS  10           3HB      CYS  10  -1.315   1.631  -0.042
   56    H    GLU  11           H        GLU  11  -1.507   2.015  -4.600
   57    HA   GLU  11           HA       GLU  11  -0.457   4.675  -5.045
   58    HB2  GLU  11           2HB      GLU  11  -0.196   3.980  -7.372
   59    HB3  GLU  11           3HB      GLU  11   0.472   2.777  -6.282
   60    HG2  GLU  11           2HG      GLU  11  -0.629   1.336  -7.625
   61    HG3  GLU  11           3HG      GLU  11  -2.014   1.775  -6.626
   62    H    VAL  12           H        VAL  12  -3.526   3.309  -4.851
   63    HA   VAL  12           HA       VAL  12  -4.705   5.537  -6.365
   64    HB   VAL  12           HB       VAL  12  -5.071   3.389  -7.520
   65   HG11  VAL  12          1HG1      VAL  12  -5.228   1.601  -6.148
   66   HG12  VAL  12          2HG1      VAL  12  -6.953   1.934  -6.300
   67   HG13  VAL  12          3HG1      VAL  12  -6.067   2.500  -4.885
   68   HG21  VAL  12          3HG2      VAL  12  -6.704   5.077  -7.890
   69   HG22  VAL  12          1HG2      VAL  12  -7.550   4.669  -6.400
   70   HG23  VAL  12          2HG2      VAL  12  -7.541   3.532  -7.748
   71    H    TYR  13           H        TYR  13  -5.016   3.367  -3.586
   72    HA   TYR  13           HA       TYR  13  -6.561   5.438  -2.197
   73    HB2  TYR  13           2HB      TYR  13  -7.106   2.520  -2.479
   74    HB3  TYR  13           3HB      TYR  13  -7.528   3.314  -0.980
   75    HD1  TYR  13           HD2      TYR  13  -8.160   3.295  -4.625
   76    HD2  TYR  13           HD1      TYR  13  -9.453   4.689  -0.818
   77    HE1  TYR  13           HE2      TYR  13 -10.266   4.057  -5.629
   78    HE2  TYR  13           HE1      TYR  13 -11.567   5.449  -1.811
   79    HH   TYR  13           HH       TYR  13 -12.436   6.108  -4.016
   80    HA   PRO  14           HA       PRO  14  -3.568   5.026   1.094
   81    HB2  PRO  14           2HB      PRO  14  -5.095   5.662   3.266
   82    HB3  PRO  14           3HB      PRO  14  -4.583   6.869   2.069
   83    HG2  PRO  14           2HG      PRO  14  -7.209   5.475   2.333
   84    HG3  PRO  14           3HG      PRO  14  -6.868   7.182   1.979
   85    HD2  PRO  14           2HD      PRO  14  -7.524   5.398   0.052
   86    HD3  PRO  14           3HD      PRO  14  -6.445   6.771  -0.240
   87    H    CYS  15           H        CYS  15  -3.554   4.062   3.548
   88    HA   CYS  15           HA       CYS  15  -4.142   1.255   3.245
   89    HB2  CYS  15           2HB      CYS  15  -2.983   2.685   5.642
   90    HB3  CYS  15           3HB      CYS  15  -2.967   0.959   5.349
   91    H    CYS  16           H        CYS  16  -5.033   0.145   5.415
   92    HA   CYS  16           HA       CYS  16  -7.561   1.528   6.011
   93    HB2  CYS  16           2HB      CYS  16  -7.090  -1.447   5.867
   94    HB3  CYS  16           3HB      CYS  16  -8.635  -0.653   6.151
   95    H    ASP  17           H        ASP  17  -5.392  -0.957   7.409
   96    HA   ASP  17           HA       ASP  17  -6.436  -0.444  10.071
   97    HB2  ASP  17           2HB      ASP  17  -4.418  -2.410   8.990
   98    HB3  ASP  17           3HB      ASP  17  -4.763  -2.256  10.709
   99    H    GLY  18           H        GLY  18  -4.537   1.421   8.405
  100    HA2  GLY  18           2HA      GLY  18  -3.210   3.182   9.208
  101    HA3  GLY  18           3HA      GLY  18  -2.999   2.307  10.718
  102    H    LEU  19           H        LEU  19  -2.445   1.003   7.510
  103    HA   LEU  19           HA       LEU  19   0.218   0.158   8.182
  104    HB2  LEU  19           2HB      LEU  19  -1.231  -0.010   5.551
  105    HB3  LEU  19           3HB      LEU  19   0.189  -0.920   6.002
  106    HG   LEU  19           HG       LEU  19  -2.189  -1.274   7.740
  107   HD11  LEU  19          1HD1      LEU  19  -2.079  -2.500   4.987
  108   HD12  LEU  19          2HD1      LEU  19  -3.190  -1.223   5.484
  109   HD13  LEU  19          3HD1      LEU  19  -3.282  -2.814   6.236
  110   HD21  LEU  19          3HD2      LEU  19   0.200  -2.465   7.627
  111   HD22  LEU  19          1HD2      LEU  19  -0.696  -3.519   6.535
  112   HD23  LEU  19          2HD2      LEU  19  -1.256  -3.284   8.190
  113    H    ILE  20           H        ILE  20   2.015   0.472   6.599
  114    HA   ILE  20           HA       ILE  20   2.161   3.295   5.773
  115    HB   ILE  20           HB       ILE  20   4.403   1.387   6.509
  116   HG12  ILE  20          2HG1      ILE  20   4.052   3.909   8.003
  117   HG13  ILE  20          3HG1      ILE  20   2.755   2.738   8.217
  118   HG21  ILE  20          1HG2      ILE  20   5.774   3.580   6.437
  119   HG22  ILE  20          2HG2      ILE  20   4.463   4.189   5.424
  120   HG23  ILE  20          3HG2      ILE  20   5.391   2.778   4.912
  121   HD11  ILE  20          3HD1      ILE  20   5.681   2.240   8.713
  122   HD12  ILE  20          1HD1      ILE  20   4.383   1.064   8.927
  123   HD13  ILE  20          2HD1      ILE  20   4.445   2.507   9.941
  124    H    CYS  21           H        CYS  21   2.913   3.836   3.756
  125    HA   CYS  21           HA       CYS  21   2.672   1.826   1.690
  126    HB2  CYS  21           2HB      CYS  21   3.032   4.810   1.730
  127    HB3  CYS  21           3HB      CYS  21   3.238   3.907   0.231
  128    H    TYR  22           H        TYR  22   4.344   0.497   1.514
  129    HA   TYR  22           HA       TYR  22   7.059   1.332   1.932
  130    HB2  TYR  22           2HB      TYR  22   5.697  -1.253   1.293
  131    HB3  TYR  22           3HB      TYR  22   7.439  -1.112   1.074
  132    HD1  TYR  22           HD1      TYR  22   8.915  -0.808   2.976
  133    HD2  TYR  22           HD2      TYR  22   4.719  -1.242   3.515
  134    HE1  TYR  22           HE1      TYR  22   9.276  -1.240   5.368
  135    HE2  TYR  22           HE2      TYR  22   5.065  -1.677   5.911
  136    HH   TYR  22           HH       TYR  22   6.853  -2.478   7.397
  137    HA   PRO  23           HA       PRO  23   7.946   2.397  -2.309
  138    HB2  PRO  23           2HB      PRO  23  10.672   2.229  -2.237
  139    HB3  PRO  23           3HB      PRO  23   9.773   3.558  -1.483
  140    HG2  PRO  23           2HG      PRO  23  10.966   1.136  -0.220
  141    HG3  PRO  23           3HG      PRO  23  10.943   2.816   0.355
  142    HD2  PRO  23           2HD      PRO  23   9.236   0.912   1.293
  143    HD3  PRO  23           3HD      PRO  23   8.824   2.632   1.214
  144    H    THR  24           H        THR  24   6.875   0.118  -2.541
  145    HA   THR  24           HA       THR  24   8.748  -1.932  -3.455
  146    HB   THR  24           HB       THR  24   6.851  -3.446  -3.517
  147    HG1  THR  24           HG1      THR  24   5.406  -1.384  -3.980
  148   HG21  THR  24          3HG2      THR  24   6.210  -3.452  -1.170
  149   HG22  THR  24          1HG2      THR  24   6.727  -1.772  -1.003
  150   HG23  THR  24          2HG2      THR  24   7.917  -3.036  -1.325
  151    H    PHE  25           H        PHE  25   8.554  -2.917  -5.526
  152    HA   PHE  25           HA       PHE  25   7.453  -1.093  -7.540
  153    HB2  PHE  25           2HB      PHE  25   9.927  -2.654  -7.382
  154    HB3  PHE  25           3HB      PHE  25   9.110  -2.779  -8.931
  155    HD1  PHE  25           HD2      PHE  25  10.475  -0.332  -6.489
  156    HD2  PHE  25           HD1      PHE  25   9.265  -1.067 -10.506
  157    HE1  PHE  25           HE2      PHE  25  11.421   1.835  -7.170
  158    HE2  PHE  25           HE1      PHE  25  10.204   1.097 -11.190
  159    HZ   PHE  25           HZ       PHE  25  11.285   2.553  -9.522
  160    HA   PRO  26           HA       PRO  26   7.087  -1.106  -9.752
  161    HB2  PRO  26           2HB      PRO  26   4.414  -1.076 -10.849
  162    HB3  PRO  26           3HB      PRO  26   5.946  -1.356 -11.693
  163    HG2  PRO  26           2HG      PRO  26   4.032  -3.264 -11.347
  164    HG3  PRO  26           3HG      PRO  26   5.757  -3.610 -11.571
  165    HD2  PRO  26           2HD      PRO  26   4.144  -3.594  -9.057
  166    HD3  PRO  26           3HD      PRO  26   5.456  -4.684  -9.553
  167    H    GLU  27           H        GLU  27   4.018  -1.717  -8.062
  168    HA   GLU  27           HA       GLU  27   3.922   1.126  -7.329
  169    HB2  GLU  27           2HB      GLU  27   1.495   0.756  -6.834
  170    HB3  GLU  27           3HB      GLU  27   1.931   0.593  -8.525
  171    HG2  GLU  27           2HG      GLU  27   1.754  -1.836  -6.792
  172    HG3  GLU  27           3HG      GLU  27   0.288  -1.095  -7.431
  173    HA   PRO  28           HA       PRO  28   4.823   0.125  -3.081
  174    HB2  PRO  28           2HB      PRO  28   3.356   2.060  -1.780
  175    HB3  PRO  28           3HB      PRO  28   4.930   2.354  -2.554
  176    HG2  PRO  28           2HG      PRO  28   2.193   2.916  -3.578
  177    HG3  PRO  28           3HG      PRO  28   3.664   3.899  -3.695
  178    HD2  PRO  28           2HD      PRO  28   2.775   2.445  -5.769
  179    HD3  PRO  28           3HD      PRO  28   4.507   2.671  -5.459
  180    H    ILE  29           H        ILE  29   3.955  -0.737  -1.158
  181    HA   ILE  29           HA       ILE  29   1.123  -1.562  -1.305
  182    HB   ILE  29           HB       ILE  29   3.288  -3.249  -0.039
  183   HG12  ILE  29          2HG1      ILE  29   3.926  -3.118  -2.370
  184   HG13  ILE  29          3HG1      ILE  29   3.245  -4.705  -2.060
  185   HG21  ILE  29          1HG2      ILE  29   1.664  -5.083  -0.276
  186   HG22  ILE  29          2HG2      ILE  29   0.495  -3.943  -0.943
  187   HG23  ILE  29          3HG2      ILE  29   1.052  -3.763   0.721
  188   HD11  ILE  29          3HD1      ILE  29   2.578  -3.748  -4.239
  189   HD12  ILE  29          1HD1      ILE  29   1.763  -2.433  -3.388
  190   HD13  ILE  29          2HD1      ILE  29   1.200  -4.095  -3.194
  191    H    CYS  30           H        CYS  30   0.057  -1.871   0.722
  192    HA   CYS  30           HA       CYS  30   0.986  -0.034   2.775
  193    HB2  CYS  30           2HB      CYS  30  -1.611  -1.303   2.040
  194    HB3  CYS  30           3HB      CYS  30  -1.384  -0.836   3.712
  195    H    GLY  31           H        GLY  31   2.108  -0.727   4.478
  196    HA2  GLY  31           2HA      GLY  31   1.420  -3.211   5.817
  197    HA3  GLY  31           3HA      GLY  31   3.022  -3.163   5.110
  198    H    VAL  32           H        VAL  32   2.030  -3.323   7.935
  199    HA   VAL  32           HA       VAL  32   3.037  -0.851   9.106
  200    HB   VAL  32           HB       VAL  32   2.539  -2.128  11.325
  201   HG11  VAL  32          1HG1      VAL  32   1.239  -0.223  10.237
  202   HG12  VAL  32          2HG1      VAL  32   0.384  -1.230  11.402
  203   HG13  VAL  32          3HG1      VAL  32   0.124  -1.470   9.677
  204   HG21  VAL  32          3HG2      VAL  32   2.231  -4.353  10.271
  205   HG22  VAL  32          1HG2      VAL  32   0.791  -3.735   9.460
  206   HG23  VAL  32          2HG2      VAL  32   0.836  -3.837  11.221
  Start of MODEL   15
    1    H1   PCA   1           HN       PCA   1 -17.396   0.671   2.093
    2    HA   PCA   1           HA       PCA   1 -15.505   2.151   2.990
    3    HB2  PCA   1           1HB      PCA   1 -13.884  -0.095   3.856
    4    HB3  PCA   1           2HB      PCA   1 -14.350   1.334   4.550
    5    HG2  PCA   1           1HG      PCA   1 -15.591  -1.213   5.177
    6    HG3  PCA   1           2HG      PCA   1 -15.891   0.333   5.686
    7    H    TRP   2           H        TRP   2 -13.634   2.580   1.801
    8    HA   TRP   2           HA       TRP   2 -12.812   0.678  -0.256
    9    HB2  TRP   2           2HB      TRP   2 -13.556   3.557  -0.842
   10    HB3  TRP   2           3HB      TRP   2 -12.795   2.455  -1.982
   11    HD1  TRP   2           HD1      TRP   2 -16.139   3.121  -0.240
   12    HE1  TRP   2           HE1      TRP   2 -17.999   1.887  -1.511
   13    HE3  TRP   2           HE3      TRP   2 -13.259   0.460  -3.536
   14    HZ2  TRP   2           HZ2      TRP   2 -18.226   0.035  -3.628
   15    HZ3  TRP   2           HZ3      TRP   2 -14.381  -1.017  -5.149
   16    HH2  TRP   2           HH2      TRP   2 -16.814  -1.225  -5.193
   17    H    CYS   3           H        CYS   3 -10.892   0.339   0.657
   18    HA   CYS   3           HA       CYS   3  -8.857   2.365   0.366
   19    HB2  CYS   3           2HB      CYS   3  -8.017   2.207   2.685
   20    HB3  CYS   3           3HB      CYS   3  -9.644   2.876   2.635
   21    H    ALA   4           H        ALA   4  -6.671   1.500   0.727
   22    HA   ALA   4           HA       ALA   4  -6.465  -1.241  -0.206
   23    HB1  ALA   4           3HB      ALA   4  -4.330   0.849   0.249
   24    HB2  ALA   4           1HB      ALA   4  -5.134   0.510  -1.282
   25    HB3  ALA   4           2HB      ALA   4  -4.093  -0.710  -0.545
   26    H    GLU   5           H        GLU   5  -6.166  -2.919   1.111
   27    HA   GLU   5           HA       GLU   5  -5.510  -2.451   3.907
   28    HB2  GLU   5           2HB      GLU   5  -6.253  -4.753   4.287
   29    HB3  GLU   5           3HB      GLU   5  -7.456  -3.844   3.390
   30    HG2  GLU   5           2HG      GLU   5  -6.553  -4.925   1.304
   31    HG3  GLU   5           3HG      GLU   5  -5.598  -5.969   2.352
   32    H    GLU   6           H        GLU   6  -4.443  -5.129   4.377
   33    HA   GLU   6           HA       GLU   6  -1.664  -4.552   3.843
   34    HB2  GLU   6           2HB      GLU   6  -1.237  -6.596   5.252
   35    HB3  GLU   6           3HB      GLU   6  -2.113  -5.306   6.055
   36    HG2  GLU   6           2HG      GLU   6  -4.210  -6.530   5.734
   37    HG3  GLU   6           3HG      GLU   6  -3.329  -7.824   4.925
   38    H    GLY   7           H        GLY   7  -0.724  -5.106   2.039
   39    HA2  GLY   7           2HA      GLY   7   0.206  -6.827   0.638
   40    HA3  GLY   7           3HA      GLY   7  -1.260  -7.764   0.882
   41    H    GLU   8           H        GLU   8  -2.033  -4.549   0.398
   42    HA   GLU   8           HA       GLU   8  -2.552  -4.994  -2.468
   43    HB2  GLU   8           2HB      GLU   8  -4.168  -3.582  -0.353
   44    HB3  GLU   8           3HB      GLU   8  -4.411  -3.247  -2.061
   45    HG2  GLU   8           2HG      GLU   8  -4.556  -6.039  -0.970
   46    HG3  GLU   8           3HG      GLU   8  -5.944  -4.954  -0.935
   47    H    SER   9           H        SER   9  -2.601  -3.030  -3.806
   48    HA   SER   9           HA       SER   9  -0.316  -1.369  -3.250
   49    HB2  SER   9           2HB      SER   9  -0.744  -0.449  -5.505
   50    HB3  SER   9           3HB      SER   9  -0.680  -2.207  -5.501
   51    HG   SER   9           HG       SER   9  -2.461  -1.702  -6.670
   52    H    CYS  10           H        CYS  10  -0.248   0.718  -2.670
   53    HA   CYS  10           HA       CYS  10  -2.818   2.026  -2.075
   54    HB2  CYS  10           2HB      CYS  10  -1.642   3.292  -0.352
   55    HB3  CYS  10           3HB      CYS  10  -1.397   1.568  -0.113
   56    H    GLU  11           H        GLU  11  -1.674   2.071  -4.692
   57    HA   GLU  11           HA       GLU  11  -0.506   4.703  -5.057
   58    HB2  GLU  11           2HB      GLU  11  -0.355   4.102  -7.435
   59    HB3  GLU  11           3HB      GLU  11   0.368   2.879  -6.404
   60    HG2  GLU  11           2HG      GLU  11  -1.245   1.312  -6.900
   61    HG3  GLU  11           3HG      GLU  11  -2.456   2.527  -7.304
   62    H    VAL  12           H        VAL  12  -3.626   3.394  -4.930
   63    HA   VAL  12           HA       VAL  12  -4.743   5.746  -6.300
   64    HB   VAL  12           HB       VAL  12  -5.234   3.687  -7.552
   65   HG11  VAL  12          1HG1      VAL  12  -5.391   1.830  -6.268
   66   HG12  VAL  12          2HG1      VAL  12  -7.110   2.215  -6.344
   67   HG13  VAL  12          3HG1      VAL  12  -6.163   2.681  -4.931
   68   HG21  VAL  12          3HG2      VAL  12  -6.835   5.453  -7.745
   69   HG22  VAL  12          1HG2      VAL  12  -7.647   4.946  -6.263
   70   HG23  VAL  12          2HG2      VAL  12  -7.700   3.917  -7.693
   71    H    TYR  13           H        TYR  13  -5.102   3.463  -3.621
   72    HA   TYR  13           HA       TYR  13  -6.582   5.515  -2.132
   73    HB2  TYR  13           2HB      TYR  13  -7.139   2.609  -2.492
   74    HB3  TYR  13           3HB      TYR  13  -7.526   3.353  -0.958
   75    HD1  TYR  13           HD1      TYR  13  -8.247   3.446  -4.585
   76    HD2  TYR  13           HD2      TYR  13  -9.437   4.741  -0.710
   77    HE1  TYR  13           HE1      TYR  13 -10.377   4.248  -5.513
   78    HE2  TYR  13           HE2      TYR  13 -11.569   5.542  -1.627
   79    HH   TYR  13           HH       TYR  13 -12.489   6.267  -3.790
   80    HA   PRO  14           HA       PRO  14  -3.528   5.016   1.085
   81    HB2  PRO  14           2HB      PRO  14  -4.997   5.641   3.294
   82    HB3  PRO  14           3HB      PRO  14  -4.523   6.857   2.092
   83    HG2  PRO  14           2HG      PRO  14  -7.135   5.449   2.415
   84    HG3  PRO  14           3HG      PRO  14  -6.811   7.163   2.074
   85    HD2  PRO  14           2HD      PRO  14  -7.508   5.398   0.144
   86    HD3  PRO  14           3HD      PRO  14  -6.450   6.784  -0.160
   87    H    CYS  15           H        CYS  15  -3.590   4.068   3.592
   88    HA   CYS  15           HA       CYS  15  -4.146   1.249   3.251
   89    HB2  CYS  15           2HB      CYS  15  -2.974   2.668   5.648
   90    HB3  CYS  15           3HB      CYS  15  -2.962   0.943   5.348
   91    H    CYS  16           H        CYS  16  -5.029   0.134   5.427
   92    HA   CYS  16           HA       CYS  16  -7.548   1.527   6.044
   93    HB2  CYS  16           2HB      CYS  16  -7.100  -1.451   5.864
   94    HB3  CYS  16           3HB      CYS  16  -8.637  -0.647   6.168
   95    H    ASP  17           H        ASP  17  -5.389  -0.989   7.402
   96    HA   ASP  17           HA       ASP  17  -6.417  -0.508  10.074
   97    HB2  ASP  17           2HB      ASP  17  -4.400  -2.455   8.958
   98    HB3  ASP  17           3HB      ASP  17  -4.736  -2.325  10.681
   99    H    GLY  18           H        GLY  18  -4.531   1.385   8.428
  100    HA2  GLY  18           2HA      GLY  18  -3.206   3.137   9.247
  101    HA3  GLY  18           3HA      GLY  18  -2.983   2.243  10.745
  102    H    LEU  19           H        LEU  19  -2.444   0.968   7.524
  103    HA   LEU  19           HA       LEU  19   0.230   0.140   8.171
  104    HB2  LEU  19           2HB      LEU  19  -1.231  -0.029   5.546
  105    HB3  LEU  19           3HB      LEU  19   0.192  -0.935   5.993
  106    HG   LEU  19           HG       LEU  19  -2.174  -1.303   7.740
  107   HD11  LEU  19          1HD1      LEU  19  -3.275  -2.837   6.235
  108   HD12  LEU  19          2HD1      LEU  19  -2.083  -2.511   4.977
  109   HD13  LEU  19          3HD1      LEU  19  -3.194  -1.239   5.492
  110   HD21  LEU  19          3HD2      LEU  19   0.210  -2.487   7.619
  111   HD22  LEU  19          1HD2      LEU  19  -0.669  -3.528   6.502
  112   HD23  LEU  19          2HD2      LEU  19  -1.244  -3.328   8.157
  113    H    ILE  20           H        ILE  20   2.005   0.470   6.551
  114    HA   ILE  20           HA       ILE  20   2.114   3.297   5.730
  115    HB   ILE  20           HB       ILE  20   4.386   1.430   6.478
  116   HG12  ILE  20          2HG1      ILE  20   3.994   3.955   7.959
  117   HG13  ILE  20          3HG1      ILE  20   2.712   2.768   8.176
  118   HG21  ILE  20          1HG2      ILE  20   5.357   2.825   4.879
  119   HG22  ILE  20          2HG2      ILE  20   5.715   3.653   6.397
  120   HG23  ILE  20          3HG2      ILE  20   4.397   4.223   5.367
  121   HD11  ILE  20          3HD1      ILE  20   5.645   2.311   8.679
  122   HD12  ILE  20          1HD1      ILE  20   4.362   1.120   8.899
  123   HD13  ILE  20          2HD1      ILE  20   4.403   2.568   9.904
  124    H    CYS  21           H        CYS  21   2.850   3.839   3.709
  125    HA   CYS  21           HA       CYS  21   2.647   1.813   1.655
  126    HB2  CYS  21           2HB      CYS  21   2.955   4.802   1.677
  127    HB3  CYS  21           3HB      CYS  21   3.176   3.894   0.182
  128    H    TYR  22           H        TYR  22   4.340   0.507   1.505
  129    HA   TYR  22           HA       TYR  22   7.042   1.388   1.913
  130    HB2  TYR  22           2HB      TYR  22   5.719  -1.223   1.292
  131    HB3  TYR  22           3HB      TYR  22   7.460  -1.058   1.082
  132    HD1  TYR  22           HD2      TYR  22   8.917  -0.705   2.993
  133    HD2  TYR  22           HD1      TYR  22   4.727  -1.220   3.502
  134    HE1  TYR  22           HE2      TYR  22   9.270  -1.117   5.391
  135    HE2  TYR  22           HE1      TYR  22   5.065  -1.635   5.904
  136    HH   TYR  22           HH       TYR  22   7.991  -0.982   7.489
  137    HA   PRO  23           HA       PRO  23   7.922   2.419  -2.336
  138    HB2  PRO  23           2HB      PRO  23  10.650   2.289  -2.259
  139    HB3  PRO  23           3HB      PRO  23   9.733   3.612  -1.518
  140    HG2  PRO  23           2HG      PRO  23  10.955   1.217  -0.234
  141    HG3  PRO  23           3HG      PRO  23  10.911   2.901   0.328
  142    HD2  PRO  23           2HD      PRO  23   9.227   0.983   1.279
  143    HD3  PRO  23           3HD      PRO  23   8.794   2.696   1.187
  144    H    THR  24           H        THR  24   6.880   0.127  -2.546
  145    HA   THR  24           HA       THR  24   8.781  -1.912  -3.432
  146    HB   THR  24           HB       THR  24   6.896  -3.447  -3.487
  147    HG1  THR  24           HG1      THR  24   5.421  -1.450  -3.998
  148   HG21  THR  24          3HG2      THR  24   7.965  -3.011  -1.302
  149   HG22  THR  24          1HG2      THR  24   6.262  -3.446  -1.138
  150   HG23  THR  24          2HG2      THR  24   6.762  -1.760  -0.982
  151    H    PHE  25           H        PHE  25   8.647  -2.892  -5.492
  152    HA   PHE  25           HA       PHE  25   7.531  -1.106  -7.529
  153    HB2  PHE  25           2HB      PHE  25  10.009  -2.665  -7.339
  154    HB3  PHE  25           3HB      PHE  25   9.205  -2.787  -8.898
  155    HD1  PHE  25           HD1      PHE  25  10.543  -0.344  -6.438
  156    HD2  PHE  25           HD2      PHE  25   9.381  -1.076 -10.469
  157    HE1  PHE  25           HE1      PHE  25  11.498   1.824  -7.106
  158    HE2  PHE  25           HE2      PHE  25  10.328   1.089 -11.141
  159    HZ   PHE  25           HZ       PHE  25  11.390   2.544  -9.459
  160    HA   PRO  26           HA       PRO  26   7.192  -1.131  -9.729
  161    HB2  PRO  26           2HB      PRO  26   4.565  -1.125 -10.909
  162    HB3  PRO  26           3HB      PRO  26   6.119  -1.436 -11.698
  163    HG2  PRO  26           2HG      PRO  26   4.172  -3.321 -11.363
  164    HG3  PRO  26           3HG      PRO  26   5.896  -3.685 -11.547
  165    HD2  PRO  26           2HD      PRO  26   4.239  -3.608  -9.065
  166    HD3  PRO  26           3HD      PRO  26   5.550  -4.719  -9.517
  167    H    GLU  27           H        GLU  27   4.190  -1.802  -8.006
  168    HA   GLU  27           HA       GLU  27   3.952   1.056  -7.355
  169    HB2  GLU  27           2HB      GLU  27   1.518   0.531  -6.873
  170    HB3  GLU  27           3HB      GLU  27   2.000   0.471  -8.559
  171    HG2  GLU  27           2HG      GLU  27   2.268  -2.076  -8.139
  172    HG3  GLU  27           3HG      GLU  27   1.262  -1.775  -6.724
  173    HA   PRO  28           HA       PRO  28   4.834   0.109  -3.086
  174    HB2  PRO  28           2HB      PRO  28   3.330   2.039  -1.821
  175    HB3  PRO  28           3HB      PRO  28   4.907   2.345  -2.585
  176    HG2  PRO  28           2HG      PRO  28   2.172   2.857  -3.641
  177    HG3  PRO  28           3HG      PRO  28   3.630   3.860  -3.757
  178    HD2  PRO  28           2HD      PRO  28   2.776   2.366  -5.820
  179    HD3  PRO  28           3HD      PRO  28   4.503   2.625  -5.500
  180    H    ILE  29           H        ILE  29   3.948  -0.717  -1.145
  181    HA   ILE  29           HA       ILE  29   1.127  -1.574  -1.306
  182    HB   ILE  29           HB       ILE  29   3.307  -3.245  -0.041
  183   HG12  ILE  29          2HG1      ILE  29   3.917  -3.107  -2.384
  184   HG13  ILE  29          3HG1      ILE  29   3.274  -4.705  -2.052
  185   HG21  ILE  29          1HG2      ILE  29   1.694  -5.090  -0.252
  186   HG22  ILE  29          2HG2      ILE  29   0.513  -3.965  -0.919
  187   HG23  ILE  29          3HG2      ILE  29   1.080  -3.767   0.740
  188   HD11  ILE  29          3HD1      ILE  29   2.556  -3.793  -4.229
  189   HD12  ILE  29          1HD1      ILE  29   1.738  -2.474  -3.388
  190   HD13  ILE  29          2HD1      ILE  29   1.195  -4.137  -3.159
  191    H    CYS  30           H        CYS  30   0.059  -1.871   0.718
  192    HA   CYS  30           HA       CYS  30   0.984  -0.030   2.766
  193    HB2  CYS  30           2HB      CYS  30  -1.607  -1.314   2.034
  194    HB3  CYS  30           3HB      CYS  30  -1.384  -0.846   3.708
  195    H    GLY  31           H        GLY  31   2.117  -0.714   4.467
  196    HA2  GLY  31           2HA      GLY  31   1.446  -3.203   5.808
  197    HA3  GLY  31           3HA      GLY  31   3.049  -3.138   5.106
  198    H    VAL  32           H        VAL  32   2.052  -3.309   7.928
  199    HA   VAL  32           HA       VAL  32   3.023  -0.827   9.105
  200    HB   VAL  32           HB       VAL  32   2.547  -2.117  11.321
  201   HG11  VAL  32          1HG1      VAL  32   0.126  -1.492   9.667
  202   HG12  VAL  32          2HG1      VAL  32   1.215  -0.232  10.245
  203   HG13  VAL  32          3HG1      VAL  32   0.369  -1.263  11.397
  204   HG21  VAL  32          3HG2      VAL  32   0.864  -3.852  11.208
  205   HG22  VAL  32          1HG2      VAL  32   2.278  -4.346  10.274
  206   HG23  VAL  32          2HG2      VAL  32   0.836  -3.754   9.447
  Start of MODEL   16
    1    H1   PCA   1           HN       PCA   1 -17.421   0.675   1.992
    2    HA   PCA   1           HA       PCA   1 -15.545   2.180   2.882
    3    HB2  PCA   1           1HB      PCA   1 -13.927  -0.043   3.811
    4    HB3  PCA   1           2HB      PCA   1 -14.405   1.398   4.471
    5    HG2  PCA   1           1HG      PCA   1 -15.647  -1.140   5.136
    6    HG3  PCA   1           2HG      PCA   1 -15.957   0.416   5.609
    7    H    TRP   2           H        TRP   2 -13.659   2.588   1.708
    8    HA   TRP   2           HA       TRP   2 -12.812   0.650  -0.304
    9    HB2  TRP   2           2HB      TRP   2 -13.549   3.518  -0.949
   10    HB3  TRP   2           3HB      TRP   2 -12.774   2.396  -2.060
   11    HD1  TRP   2           HD1      TRP   2 -16.139   3.094  -0.373
   12    HE1  TRP   2           HE1      TRP   2 -17.983   1.834  -1.642
   13    HE3  TRP   2           HE3      TRP   2 -13.217   0.371  -3.581
   14    HZ2  TRP   2           HZ2      TRP   2 -18.183  -0.057  -3.725
   15    HZ3  TRP   2           HZ3      TRP   2 -14.322  -1.139  -5.179
   16    HH2  TRP   2           HH2      TRP   2 -16.752  -1.347  -5.247
   17    H    CYS   3           H        CYS   3 -10.902   0.328   0.636
   18    HA   CYS   3           HA       CYS   3  -8.868   2.356   0.345
   19    HB2  CYS   3           2HB      CYS   3  -8.051   2.223   2.665
   20    HB3  CYS   3           3HB      CYS   3  -9.688   2.863   2.608
   21    H    ALA   4           H        ALA   4  -6.686   1.507   0.685
   22    HA   ALA   4           HA       ALA   4  -6.466  -1.241  -0.220
   23    HB1  ALA   4           3HB      ALA   4  -4.105  -0.708  -0.580
   24    HB2  ALA   4           1HB      ALA   4  -4.326   0.847   0.228
   25    HB3  ALA   4           2HB      ALA   4  -5.144   0.523  -1.301
   26    H    GLU   5           H        GLU   5  -6.181  -2.905   1.108
   27    HA   GLU   5           HA       GLU   5  -5.517  -2.429   3.899
   28    HB2  GLU   5           2HB      GLU   5  -6.257  -4.732   4.283
   29    HB3  GLU   5           3HB      GLU   5  -7.463  -3.823   3.391
   30    HG2  GLU   5           2HG      GLU   5  -6.577  -4.902   1.300
   31    HG3  GLU   5           3HG      GLU   5  -5.606  -5.941   2.336
   32    H    GLU   6           H        GLU   6  -4.451  -5.119   4.360
   33    HA   GLU   6           HA       GLU   6  -1.673  -4.533   3.833
   34    HB2  GLU   6           2HB      GLU   6  -1.228  -6.565   5.237
   35    HB3  GLU   6           3HB      GLU   6  -2.145  -5.308   6.044
   36    HG2  GLU   6           2HG      GLU   6  -3.556  -7.613   4.757
   37    HG3  GLU   6           3HG      GLU   6  -2.822  -7.788   6.349
   38    H    GLY   7           H        GLY   7  -0.726  -5.075   2.032
   39    HA2  GLY   7           2HA      GLY   7   0.211  -6.781   0.620
   40    HA3  GLY   7           3HA      GLY   7  -1.251  -7.725   0.854
   41    H    GLU   8           H        GLU   8  -2.044  -4.513   0.382
   42    HA   GLU   8           HA       GLU   8  -2.545  -4.950  -2.489
   43    HB2  GLU   8           2HB      GLU   8  -4.176  -3.530  -0.387
   44    HB3  GLU   8           3HB      GLU   8  -4.422  -3.233  -2.100
   45    HG2  GLU   8           2HG      GLU   8  -4.541  -6.004  -0.960
   46    HG3  GLU   8           3HG      GLU   8  -5.938  -4.931  -0.936
   47    H    SER   9           H        SER   9  -2.589  -2.988  -3.825
   48    HA   SER   9           HA       SER   9  -0.312  -1.320  -3.251
   49    HB2  SER   9           2HB      SER   9  -0.776  -0.369  -5.508
   50    HB3  SER   9           3HB      SER   9  -0.607  -2.122  -5.504
   51    HG   SER   9           HG       SER   9  -3.078  -1.926  -5.199
   52    H    CYS  10           H        CYS  10  -0.268   0.702  -2.540
   53    HA   CYS  10           HA       CYS  10  -2.825   2.032  -1.992
   54    HB2  CYS  10           2HB      CYS  10  -1.618   3.338  -0.321
   55    HB3  CYS  10           3HB      CYS  10  -1.360   1.619  -0.056
   56    H    GLU  11           H        GLU  11  -1.485   1.998  -4.611
   57    HA   GLU  11           HA       GLU  11  -0.461   4.663  -5.046
   58    HB2  GLU  11           2HB      GLU  11  -0.191   3.977  -7.376
   59    HB3  GLU  11           3HB      GLU  11   0.476   2.772  -6.287
   60    HG2  GLU  11           2HG      GLU  11  -0.618   1.331  -7.634
   61    HG3  GLU  11           3HG      GLU  11  -2.010   1.769  -6.641
   62    H    VAL  12           H        VAL  12  -3.523   3.315  -4.837
   63    HA   VAL  12           HA       VAL  12  -4.703   5.536  -6.361
   64    HB   VAL  12           HB       VAL  12  -5.070   3.386  -7.513
   65   HG11  VAL  12          1HG1      VAL  12  -5.226   1.600  -6.139
   66   HG12  VAL  12          2HG1      VAL  12  -6.953   1.934  -6.291
   67   HG13  VAL  12          3HG1      VAL  12  -6.065   2.501  -4.877
   68   HG21  VAL  12          3HG2      VAL  12  -7.549   4.668  -6.393
   69   HG22  VAL  12          1HG2      VAL  12  -7.539   3.530  -7.742
   70   HG23  VAL  12          2HG2      VAL  12  -6.702   5.074  -7.886
   71    H    TYR  13           H        TYR  13  -5.010   3.372  -3.576
   72    HA   TYR  13           HA       TYR  13  -6.555   5.445  -2.190
   73    HB2  TYR  13           2HB      TYR  13  -7.104   2.527  -2.466
   74    HB3  TYR  13           3HB      TYR  13  -7.525   3.326  -0.969
   75    HD1  TYR  13           HD1      TYR  13  -8.156   3.299  -4.614
   76    HD2  TYR  13           HD2      TYR  13  -9.445   4.706  -0.810
   77    HE1  TYR  13           HE1      TYR  13 -10.263   4.061  -5.620
   78    HE2  TYR  13           HE2      TYR  13 -11.558   5.470  -1.805
   79    HH   TYR  13           HH       TYR  13 -12.426   6.124  -4.013
   80    HA   PRO  14           HA       PRO  14  -3.562   5.033   1.100
   81    HB2  PRO  14           2HB      PRO  14  -5.081   5.687   3.270
   82    HB3  PRO  14           3HB      PRO  14  -4.574   6.885   2.064
   83    HG2  PRO  14           2HG      PRO  14  -7.198   5.489   2.343
   84    HG3  PRO  14           3HG      PRO  14  -6.861   7.194   1.985
   85    HD2  PRO  14           2HD      PRO  14  -7.518   5.409   0.063
   86    HD3  PRO  14           3HD      PRO  14  -6.439   6.782  -0.235
   87    H    CYS  15           H        CYS  15  -3.541   4.077   3.554
   88    HA   CYS  15           HA       CYS  15  -4.141   1.268   3.265
   89    HB2  CYS  15           2HB      CYS  15  -2.970   2.699   5.656
   90    HB3  CYS  15           3HB      CYS  15  -2.953   0.975   5.357
   91    H    CYS  16           H        CYS  16  -5.026   0.171   5.451
   92    HA   CYS  16           HA       CYS  16  -7.537   1.580   6.070
   93    HB2  CYS  16           2HB      CYS  16  -7.122  -1.402   5.899
   94    HB3  CYS  16           3HB      CYS  16  -8.652  -0.574   6.168
   95    H    ASP  17           H        ASP  17  -5.422  -0.985   7.417
   96    HA   ASP  17           HA       ASP  17  -6.441  -0.494  10.090
   97    HB2  ASP  17           2HB      ASP  17  -4.475  -2.486   8.964
   98    HB3  ASP  17           3HB      ASP  17  -4.810  -2.358  10.688
   99    H    GLY  18           H        GLY  18  -4.515   1.375   8.473
  100    HA2  GLY  18           2HA      GLY  18  -3.150   3.085   9.325
  101    HA3  GLY  18           3HA      GLY  18  -2.941   2.154  10.802
  102    H    LEU  19           H        LEU  19  -2.434   0.998   7.525
  103    HA   LEU  19           HA       LEU  19   0.230   0.091   8.151
  104    HB2  LEU  19           2HB      LEU  19  -1.262  -0.019   5.539
  105    HB3  LEU  19           3HB      LEU  19   0.158  -0.947   5.952
  106    HG   LEU  19           HG       LEU  19  -2.196  -1.323   7.716
  107   HD11  LEU  19          1HD1      LEU  19  -3.327  -2.814   6.198
  108   HD12  LEU  19          2HD1      LEU  19  -2.135  -2.500   4.940
  109   HD13  LEU  19          3HD1      LEU  19  -3.221  -1.213   5.467
  110   HD21  LEU  19          3HD2      LEU  19  -0.696  -3.525   6.424
  111   HD22  LEU  19          1HD2      LEU  19  -1.291  -3.376   8.076
  112   HD23  LEU  19          2HD2      LEU  19   0.169  -2.519   7.582
  113    H    ILE  20           H        ILE  20   1.966   0.418   6.436
  114    HA   ILE  20           HA       ILE  20   2.060   3.265   5.672
  115    HB   ILE  20           HB       ILE  20   4.336   1.436   6.489
  116   HG12  ILE  20          2HG1      ILE  20   4.459   3.577   8.159
  117   HG13  ILE  20          3HG1      ILE  20   2.721   3.483   7.889
  118   HG21  ILE  20          1HG2      ILE  20   5.674   3.631   6.411
  119   HG22  ILE  20          2HG2      ILE  20   4.373   4.230   5.374
  120   HG23  ILE  20          3HG2      ILE  20   5.319   2.825   4.880
  121   HD11  ILE  20          3HD1      ILE  20   4.412   1.176   8.815
  122   HD12  ILE  20          1HD1      ILE  20   2.653   1.246   8.715
  123   HD13  ILE  20          2HD1      ILE  20   3.510   2.250   9.885
  124    H    CYS  21           H        CYS  21   2.824   3.826   3.677
  125    HA   CYS  21           HA       CYS  21   2.660   1.829   1.600
  126    HB2  CYS  21           2HB      CYS  21   3.020   4.815   1.654
  127    HB3  CYS  21           3HB      CYS  21   3.220   3.909   0.154
  128    H    TYR  22           H        TYR  22   4.347   0.507   1.491
  129    HA   TYR  22           HA       TYR  22   7.050   1.369   1.926
  130    HB2  TYR  22           2HB      TYR  22   5.715  -1.233   1.301
  131    HB3  TYR  22           3HB      TYR  22   7.457  -1.082   1.096
  132    HD1  TYR  22           HD1      TYR  22   8.913  -0.744   3.008
  133    HD2  TYR  22           HD2      TYR  22   4.716  -1.207   3.510
  134    HE1  TYR  22           HE1      TYR  22   9.254  -1.148   5.409
  135    HE2  TYR  22           HE2      TYR  22   5.043  -1.616   5.914
  136    HH   TYR  22           HH       TYR  22   7.974  -0.991   7.504
  137    HA   PRO  23           HA       PRO  23   7.975   2.405  -2.312
  138    HB2  PRO  23           2HB      PRO  23  10.702   2.225  -2.218
  139    HB3  PRO  23           3HB      PRO  23   9.801   3.566  -1.485
  140    HG2  PRO  23           2HG      PRO  23  10.972   1.152  -0.189
  141    HG3  PRO  23           3HG      PRO  23  10.953   2.836   0.369
  142    HD2  PRO  23           2HD      PRO  23   9.230   0.956   1.317
  143    HD3  PRO  23           3HD      PRO  23   8.822   2.672   1.205
  144    H    THR  24           H        THR  24   6.899   0.125  -2.535
  145    HA   THR  24           HA       THR  24   8.776  -1.926  -3.446
  146    HB   THR  24           HB       THR  24   6.875  -3.442  -3.506
  147    HG1  THR  24           HG1      THR  24   5.052  -2.453  -4.008
  148   HG21  THR  24          3HG2      THR  24   6.798  -1.762  -0.991
  149   HG22  THR  24          1HG2      THR  24   7.944  -3.065  -1.322
  150   HG23  THR  24          2HG2      THR  24   6.225  -3.425  -1.149
  151    H    PHE  25           H        PHE  25   8.584  -2.912  -5.514
  152    HA   PHE  25           HA       PHE  25   7.478  -1.093  -7.531
  153    HB2  PHE  25           2HB      PHE  25   9.953  -2.654  -7.371
  154    HB3  PHE  25           3HB      PHE  25   9.135  -2.779  -8.921
  155    HD1  PHE  25           HD2      PHE  25  10.502  -0.333  -6.478
  156    HD2  PHE  25           HD1      PHE  25   9.289  -1.067 -10.495
  157    HE1  PHE  25           HE2      PHE  25  11.449   1.834  -7.160
  158    HE2  PHE  25           HE1      PHE  25  10.228   1.097 -11.179
  159    HZ   PHE  25           HZ       PHE  25  11.312   2.552  -9.513
  160    HA   PRO  26           HA       PRO  26   7.111  -1.110  -9.741
  161    HB2  PRO  26           2HB      PRO  26   4.442  -1.083 -10.843
  162    HB3  PRO  26           3HB      PRO  26   5.975  -1.365 -11.683
  163    HG2  PRO  26           2HG      PRO  26   4.061  -3.273 -11.336
  164    HG3  PRO  26           3HG      PRO  26   5.786  -3.618 -11.556
  165    HD2  PRO  26           2HD      PRO  26   4.170  -3.596  -9.046
  166    HD3  PRO  26           3HD      PRO  26   5.482  -4.688  -9.537
  167    H    GLU  27           H        GLU  27   4.045  -1.722  -8.051
  168    HA   GLU  27           HA       GLU  27   3.941   1.122  -7.327
  169    HB2  GLU  27           2HB      GLU  27   1.517   0.763  -6.848
  170    HB3  GLU  27           3HB      GLU  27   1.955   0.556  -8.532
  171    HG2  GLU  27           2HG      GLU  27   1.759  -1.822  -6.730
  172    HG3  GLU  27           3HG      GLU  27   0.304  -1.100  -7.411
  173    HA   PRO  28           HA       PRO  28   4.845   0.130  -3.077
  174    HB2  PRO  28           2HB      PRO  28   3.381   2.070  -1.778
  175    HB3  PRO  28           3HB      PRO  28   4.955   2.360  -2.555
  176    HG2  PRO  28           2HG      PRO  28   2.218   2.923  -3.576
  177    HG3  PRO  28           3HG      PRO  28   3.690   3.905  -3.698
  178    HD2  PRO  28           2HD      PRO  28   2.794   2.446  -5.768
  179    HD3  PRO  28           3HD      PRO  28   4.528   2.673  -5.462
  180    H    ILE  29           H        ILE  29   3.971  -0.721  -1.148
  181    HA   ILE  29           HA       ILE  29   1.138  -1.540  -1.297
  182    HB   ILE  29           HB       ILE  29   3.299  -3.239  -0.039
  183   HG12  ILE  29          2HG1      ILE  29   3.930  -3.098  -2.375
  184   HG13  ILE  29          3HG1      ILE  29   3.258  -4.688  -2.061
  185   HG21  ILE  29          1HG2      ILE  29   1.063  -3.747   0.723
  186   HG22  ILE  29          2HG2      ILE  29   1.665  -5.067  -0.280
  187   HG23  ILE  29          3HG2      ILE  29   0.501  -3.917  -0.940
  188   HD11  ILE  29          3HD1      ILE  29   1.756  -2.426  -3.383
  189   HD12  ILE  29          1HD1      ILE  29   1.208  -4.092  -3.190
  190   HD13  ILE  29          2HD1      ILE  29   2.580  -3.730  -4.239
  191    H    CYS  30           H        CYS  30   0.065  -1.828   0.720
  192    HA   CYS  30           HA       CYS  30   1.005  -0.013   2.785
  193    HB2  CYS  30           2HB      CYS  30  -1.594  -1.285   2.054
  194    HB3  CYS  30           3HB      CYS  30  -1.360  -0.814   3.725
  195    H    GLY  31           H        GLY  31   2.137  -0.726   4.486
  196    HA2  GLY  31           2HA      GLY  31   1.447  -3.234   5.783
  197    HA3  GLY  31           3HA      GLY  31   3.054  -3.163   5.089
  198    H    VAL  32           H        VAL  32   2.087  -3.417   7.891
  199    HA   VAL  32           HA       VAL  32   3.093  -0.968   9.123
  200    HB   VAL  32           HB       VAL  32   2.520  -2.259  11.315
  201   HG11  VAL  32          1HG1      VAL  32   0.135  -1.539   9.652
  202   HG12  VAL  32          2HG1      VAL  32   1.279  -0.313  10.197
  203   HG13  VAL  32          3HG1      VAL  32   0.404  -1.289  11.375
  204   HG21  VAL  32          3HG2      VAL  32   2.177  -4.463  10.234
  205   HG22  VAL  32          1HG2      VAL  32   0.772  -3.803   9.396
  206   HG23  VAL  32          2HG2      VAL  32   0.773  -3.921  11.155
  Start of MODEL   17
    1    H1   PCA   1           HN       PCA   1 -17.429   0.736   1.952
    2    HA   PCA   1           HA       PCA   1 -15.545   2.232   2.840
    3    HB2  PCA   1           1HB      PCA   1 -13.943   0.002   3.780
    4    HB3  PCA   1           2HB      PCA   1 -14.416   1.449   4.435
    5    HG2  PCA   1           1HG      PCA   1 -15.672  -1.082   5.103
    6    HG3  PCA   1           2HG      PCA   1 -15.974   0.478   5.572
    7    H    TRP   2           H        TRP   2 -13.655   2.625   1.668
    8    HA   TRP   2           HA       TRP   2 -12.816   0.675  -0.335
    9    HB2  TRP   2           2HB      TRP   2 -13.536   3.544  -0.993
   10    HB3  TRP   2           3HB      TRP   2 -12.766   2.414  -2.099
   11    HD1  TRP   2           HD1      TRP   2 -16.129   3.133  -0.416
   12    HE1  TRP   2           HE1      TRP   2 -17.977   1.880  -1.687
   13    HE3  TRP   2           HE3      TRP   2 -13.217   0.391  -3.617
   14    HZ2  TRP   2           HZ2      TRP   2 -18.185  -0.012  -3.768
   15    HZ3  TRP   2           HZ3      TRP   2 -14.326  -1.114  -5.216
   16    HH2  TRP   2           HH2      TRP   2 -16.759  -1.312  -5.288
   17    H    CYS   3           H        CYS   3 -10.912   0.344   0.613
   18    HA   CYS   3           HA       CYS   3  -8.862   2.354   0.311
   19    HB2  CYS   3           2HB      CYS   3  -8.054   2.247   2.634
   20    HB3  CYS   3           3HB      CYS   3  -9.690   2.890   2.567
   21    H    ALA   4           H        ALA   4  -6.685   1.488   0.710
   22    HA   ALA   4           HA       ALA   4  -6.474  -1.255  -0.208
   23    HB1  ALA   4           3HB      ALA   4  -4.312   0.793   0.302
   24    HB2  ALA   4           1HB      ALA   4  -5.120   0.523  -1.242
   25    HB3  ALA   4           2HB      ALA   4  -4.113  -0.745  -0.541
   26    H    GLU   5           H        GLU   5  -6.191  -2.939   1.098
   27    HA   GLU   5           HA       GLU   5  -5.607  -2.503   3.910
   28    HB2  GLU   5           2HB      GLU   5  -6.311  -4.826   4.237
   29    HB3  GLU   5           3HB      GLU   5  -7.510  -3.927   3.325
   30    HG2  GLU   5           2HG      GLU   5  -6.558  -4.955   1.247
   31    HG3  GLU   5           3HG      GLU   5  -5.571  -5.980   2.282
   32    H    GLU   6           H        GLU   6  -4.494  -5.189   4.346
   33    HA   GLU   6           HA       GLU   6  -1.708  -4.524   3.902
   34    HB2  GLU   6           2HB      GLU   6  -2.393  -7.145   5.124
   35    HB3  GLU   6           3HB      GLU   6  -1.172  -5.972   5.591
   36    HG2  GLU   6           2HG      GLU   6  -2.787  -4.644   6.735
   37    HG3  GLU   6           3HG      GLU   6  -4.115  -5.621   6.113
   38    H    GLY   7           H        GLY   7  -0.686  -5.071   2.142
   39    HA2  GLY   7           2HA      GLY   7   0.277  -6.740   0.720
   40    HA3  GLY   7           3HA      GLY   7  -1.173  -7.709   0.929
   41    H    GLU   8           H        GLU   8  -2.028  -4.515   0.459
   42    HA   GLU   8           HA       GLU   8  -2.485  -4.955  -2.416
   43    HB2  GLU   8           2HB      GLU   8  -4.148  -3.572  -0.322
   44    HB3  GLU   8           3HB      GLU   8  -4.367  -3.221  -2.029
   45    HG2  GLU   8           2HG      GLU   8  -4.507  -6.022  -0.963
   46    HG3  GLU   8           3HG      GLU   8  -5.904  -4.951  -0.960
   47    H    SER   9           H        SER   9  -2.542  -2.997  -3.757
   48    HA   SER   9           HA       SER   9  -0.270  -1.320  -3.194
   49    HB2  SER   9           2HB      SER   9  -0.718  -0.400  -5.461
   50    HB3  SER   9           3HB      SER   9  -0.584  -2.157  -5.439
   51    HG   SER   9           HG       SER   9  -3.124  -1.568  -5.035
   52    H    CYS  10           H        CYS  10  -0.223   0.714  -2.516
   53    HA   CYS  10           HA       CYS  10  -2.783   2.050  -1.981
   54    HB2  CYS  10           2HB      CYS  10  -1.590   3.364  -0.312
   55    HB3  CYS  10           3HB      CYS  10  -1.314   1.649  -0.038
   56    H    GLU  11           H        GLU  11  -1.498   1.990  -4.600
   57    HA   GLU  11           HA       GLU  11  -0.444   4.645  -5.069
   58    HB2  GLU  11           2HB      GLU  11  -0.192   3.931  -7.392
   59    HB3  GLU  11           3HB      GLU  11   0.480   2.737  -6.295
   60    HG2  GLU  11           2HG      GLU  11  -0.625   1.286  -7.623
   61    HG3  GLU  11           3HG      GLU  11  -2.007   1.733  -6.622
   62    H    VAL  12           H        VAL  12  -3.517   3.266  -4.894
   63    HA   VAL  12           HA       VAL  12  -4.691   5.492  -6.412
   64    HB   VAL  12           HB       VAL  12  -5.061   3.339  -7.554
   65   HG11  VAL  12          1HG1      VAL  12  -5.212   1.560  -6.167
   66   HG12  VAL  12          2HG1      VAL  12  -6.938   1.887  -6.329
   67   HG13  VAL  12          3HG1      VAL  12  -6.059   2.465  -4.913
   68   HG21  VAL  12          3HG2      VAL  12  -6.695   5.027  -7.930
   69   HG22  VAL  12          1HG2      VAL  12  -7.541   4.621  -6.437
   70   HG23  VAL  12          2HG2      VAL  12  -7.529   3.481  -7.782
   71    H    TYR  13           H        TYR  13  -5.008   3.340  -3.623
   72    HA   TYR  13           HA       TYR  13  -6.549   5.420  -2.244
   73    HB2  TYR  13           2HB      TYR  13  -7.099   2.502  -2.512
   74    HB3  TYR  13           3HB      TYR  13  -7.521   3.305  -1.018
   75    HD1  TYR  13           HD1      TYR  13  -8.154   3.253  -4.660
   76    HD2  TYR  13           HD2      TYR  13  -9.434   4.703  -0.870
   77    HE1  TYR  13           HE1      TYR  13 -10.258   4.017  -5.672
   78    HE2  TYR  13           HE2      TYR  13 -11.543   5.468  -1.871
   79    HH   TYR  13           HH       TYR  13 -12.558   4.533  -4.969
   80    HA   PRO  14           HA       PRO  14  -3.554   5.019   1.042
   81    HB2  PRO  14           2HB      PRO  14  -5.065   5.698   3.209
   82    HB3  PRO  14           3HB      PRO  14  -4.559   6.883   1.990
   83    HG2  PRO  14           2HG      PRO  14  -7.186   5.497   2.289
   84    HG3  PRO  14           3HG      PRO  14  -6.845   7.199   1.912
   85    HD2  PRO  14           2HD      PRO  14  -7.512   5.390   0.012
   86    HD3  PRO  14           3HD      PRO  14  -6.436   6.760  -0.304
   87    H    CYS  15           H        CYS  15  -3.541   4.087   3.506
   88    HA   CYS  15           HA       CYS  15  -4.141   1.276   3.246
   89    HB2  CYS  15           2HB      CYS  15  -2.961   2.756   5.606
   90    HB3  CYS  15           3HB      CYS  15  -2.969   1.024   5.368
   91    H    CYS  16           H        CYS  16  -5.028   0.218   5.462
   92    HA   CYS  16           HA       CYS  16  -7.538   1.642   6.056
   93    HB2  CYS  16           2HB      CYS  16  -7.156  -1.347   5.915
   94    HB3  CYS  16           3HB      CYS  16  -8.675  -0.496   6.166
   95    H    ASP  17           H        ASP  17  -5.447  -0.931   7.418
   96    HA   ASP  17           HA       ASP  17  -6.454  -0.414  10.091
   97    HB2  ASP  17           2HB      ASP  17  -4.494  -2.418   8.977
   98    HB3  ASP  17           3HB      ASP  17  -4.826  -2.276  10.700
   99    H    GLY  18           H        GLY  18  -4.507   1.417   8.437
  100    HA2  GLY  18           2HA      GLY  18  -3.142   3.138   9.271
  101    HA3  GLY  18           3HA      GLY  18  -2.933   2.223  10.758
  102    H    LEU  19           H        LEU  19  -2.442   0.990   7.511
  103    HA   LEU  19           HA       LEU  19   0.210   0.071   8.132
  104    HB2  LEU  19           2HB      LEU  19  -1.254   0.013   5.505
  105    HB3  LEU  19           3HB      LEU  19   0.143  -0.946   5.927
  106    HG   LEU  19           HG       LEU  19  -2.231  -1.300   7.666
  107   HD11  LEU  19          1HD1      LEU  19  -2.208  -2.551   4.933
  108   HD12  LEU  19          2HD1      LEU  19  -3.150  -1.114   5.319
  109   HD13  LEU  19          3HD1      LEU  19  -3.474  -2.626   6.156
  110   HD21  LEU  19          3HD2      LEU  19   0.114  -2.557   7.498
  111   HD22  LEU  19          1HD2      LEU  19  -0.801  -3.538   6.352
  112   HD23  LEU  19          2HD2      LEU  19  -1.363  -3.366   8.016
  113    H    ILE  20           H        ILE  20   2.001   0.402   6.555
  114    HA   ILE  20           HA       ILE  20   2.171   3.237   5.772
  115    HB   ILE  20           HB       ILE  20   4.401   1.313   6.503
  116   HG12  ILE  20          2HG1      ILE  20   4.052   3.826   8.015
  117   HG13  ILE  20          3HG1      ILE  20   2.748   2.660   8.212
  118   HG21  ILE  20          1HG2      ILE  20   4.474   4.119   5.431
  119   HG22  ILE  20          2HG2      ILE  20   5.409   2.709   4.929
  120   HG23  ILE  20          3HG2      ILE  20   5.774   3.510   6.459
  121   HD11  ILE  20          3HD1      ILE  20   4.427   2.410   9.945
  122   HD12  ILE  20          1HD1      ILE  20   5.669   2.143   8.721
  123   HD13  ILE  20          2HD1      ILE  20   4.364   0.974   8.920
  124    H    CYS  21           H        CYS  21   2.907   3.792   3.760
  125    HA   CYS  21           HA       CYS  21   2.671   1.801   1.678
  126    HB2  CYS  21           2HB      CYS  21   3.047   4.782   1.746
  127    HB3  CYS  21           3HB      CYS  21   3.251   3.894   0.238
  128    H    TYR  22           H        TYR  22   4.340   0.461   1.512
  129    HA   TYR  22           HA       TYR  22   7.058   1.282   1.933
  130    HB2  TYR  22           2HB      TYR  22   5.683  -1.291   1.274
  131    HB3  TYR  22           3HB      TYR  22   7.426  -1.158   1.058
  132    HD1  TYR  22           HD1      TYR  22   8.901  -0.876   2.964
  133    HD2  TYR  22           HD2      TYR  22   4.701  -1.288   3.490
  134    HE1  TYR  22           HE1      TYR  22   9.253  -1.326   5.356
  135    HE2  TYR  22           HE2      TYR  22   5.039  -1.741   5.885
  136    HH   TYR  22           HH       TYR  22   7.992  -1.187   7.462
  137    HA   PRO  23           HA       PRO  23   7.955   2.379  -2.295
  138    HB2  PRO  23           2HB      PRO  23  10.681   2.205  -2.220
  139    HB3  PRO  23           3HB      PRO  23   9.784   3.530  -1.455
  140    HG2  PRO  23           2HG      PRO  23  10.968   1.093  -0.214
  141    HG3  PRO  23           3HG      PRO  23  10.950   2.768   0.378
  142    HD2  PRO  23           2HD      PRO  23   9.235   0.859   1.294
  143    HD3  PRO  23           3HD      PRO  23   8.829   2.580   1.232
  144    H    THR  24           H        THR  24   6.878   0.118  -2.558
  145    HA   THR  24           HA       THR  24   8.741  -1.934  -3.489
  146    HB   THR  24           HB       THR  24   6.837  -3.440  -3.566
  147    HG1  THR  24           HG1      THR  24   5.153  -2.151  -4.218
  148   HG21  THR  24          3HG2      THR  24   6.192  -3.464  -1.219
  149   HG22  THR  24          1HG2      THR  24   6.722  -1.789  -1.037
  150   HG23  THR  24          2HG2      THR  24   7.903  -3.059  -1.370
  151    H    PHE  25           H        PHE  25   8.560  -2.883  -5.571
  152    HA   PHE  25           HA       PHE  25   7.477  -1.026  -7.565
  153    HB2  PHE  25           2HB      PHE  25   9.925  -2.637  -7.421
  154    HB3  PHE  25           3HB      PHE  25   9.110  -2.713  -8.977
  155    HD1  PHE  25           HD2      PHE  25  10.511  -0.344  -6.478
  156    HD2  PHE  25           HD1      PHE  25   9.307  -0.974 -10.515
  157    HE1  PHE  25           HE2      PHE  25  11.503   1.818  -7.112
  158    HE2  PHE  25           HE1      PHE  25  10.291   1.186 -11.150
  159    HZ   PHE  25           HZ       PHE  25  11.392   2.586  -9.448
  160    HA   PRO  26           HA       PRO  26   7.123  -0.998  -9.763
  161    HB2  PRO  26           2HB      PRO  26   4.485  -0.918 -10.920
  162    HB3  PRO  26           3HB      PRO  26   6.026  -1.236 -11.730
  163    HG2  PRO  26           2HG      PRO  26   4.050  -3.095 -11.422
  164    HG3  PRO  26           3HG      PRO  26   5.769  -3.484 -11.625
  165    HD2  PRO  26           2HD      PRO  26   4.129  -3.434  -9.131
  166    HD3  PRO  26           3HD      PRO  26   5.415  -4.559  -9.618
  167    H    GLU  27           H        GLU  27   4.097  -1.643  -8.060
  168    HA   GLU  27           HA       GLU  27   3.939   1.199  -7.323
  169    HB2  GLU  27           2HB      GLU  27   1.490   0.690  -6.822
  170    HB3  GLU  27           3HB      GLU  27   1.961   0.738  -8.511
  171    HG2  GLU  27           2HG      GLU  27   2.189  -1.833  -8.272
  172    HG3  GLU  27           3HG      GLU  27   1.203  -1.617  -6.828
  173    HA   PRO  28           HA       PRO  28   4.821   0.130  -3.087
  174    HB2  PRO  28           2HB      PRO  28   3.357   2.052  -1.766
  175    HB3  PRO  28           3HB      PRO  28   4.932   2.351  -2.531
  176    HG2  PRO  28           2HG      PRO  28   2.201   2.931  -3.558
  177    HG3  PRO  28           3HG      PRO  28   3.673   3.915  -3.655
  178    HD2  PRO  28           2HD      PRO  28   2.790   2.490  -5.753
  179    HD3  PRO  28           3HD      PRO  28   4.523   2.707  -5.431
  180    H    ILE  29           H        ILE  29   3.943  -0.724  -1.160
  181    HA   ILE  29           HA       ILE  29   1.118  -1.569  -1.319
  182    HB   ILE  29           HB       ILE  29   3.304  -3.243  -0.070
  183   HG12  ILE  29          2HG1      ILE  29   3.911  -3.123  -2.405
  184   HG13  ILE  29          3HG1      ILE  29   3.229  -4.708  -2.088
  185   HG21  ILE  29          1HG2      ILE  29   1.696  -5.090  -0.268
  186   HG22  ILE  29          2HG2      ILE  29   0.504  -3.966  -0.923
  187   HG23  ILE  29          3HG2      ILE  29   1.087  -3.770   0.730
  188   HD11  ILE  29          3HD1      ILE  29   1.154  -4.060  -3.175
  189   HD12  ILE  29          1HD1      ILE  29   2.525  -3.785  -4.252
  190   HD13  ILE  29          2HD1      ILE  29   1.769  -2.425  -3.420
  191    H    CYS  30           H        CYS  30   0.036  -1.854   0.694
  192    HA   CYS  30           HA       CYS  30   0.967  -0.043   2.770
  193    HB2  CYS  30           2HB      CYS  30  -1.632  -1.306   2.026
  194    HB3  CYS  30           3HB      CYS  30  -1.404  -0.841   3.699
  195    H    GLY  31           H        GLY  31   2.098  -0.763   4.459
  196    HA2  GLY  31           2HA      GLY  31   1.402  -3.275   5.752
  197    HA3  GLY  31           3HA      GLY  31   3.014  -3.195   5.070
  198    H    VAL  32           H        VAL  32   1.928  -3.393   7.877
  199    HA   VAL  32           HA       VAL  32   2.907  -0.948   9.116
  200    HB   VAL  32           HB       VAL  32   2.363  -2.270  11.297
  201   HG11  VAL  32          1HG1      VAL  32   1.075  -0.357  10.241
  202   HG12  VAL  32          2HG1      VAL  32   0.176  -1.419  11.319
  203   HG13  VAL  32          3HG1      VAL  32   0.002  -1.589   9.576
  204   HG21  VAL  32          3HG2      VAL  32   2.105  -4.482  10.225
  205   HG22  VAL  32          1HG2      VAL  32   0.705  -3.870   9.343
  206   HG23  VAL  32          2HG2      VAL  32   0.656  -3.985  11.101
  Start of MODEL   18
    1    H1   PCA   1           HN       PCA   1 -17.411   0.603   1.886
    2    HA   PCA   1           HA       PCA   1 -15.544   2.084   2.832
    3    HB2  PCA   1           1HB      PCA   1 -13.935  -0.161   3.720
    4    HB3  PCA   1           2HB      PCA   1 -14.421   1.263   4.412
    5    HG2  PCA   1           1HG      PCA   1 -15.665  -1.293   4.998
    6    HG3  PCA   1           2HG      PCA   1 -15.982   0.251   5.509
    7    H    TRP   2           H        TRP   2 -13.653   2.526   1.680
    8    HA   TRP   2           HA       TRP   2 -12.783   0.635  -0.366
    9    HB2  TRP   2           2HB      TRP   2 -13.523   3.515  -0.952
   10    HB3  TRP   2           3HB      TRP   2 -12.733   2.422  -2.082
   11    HD1  TRP   2           HD1      TRP   2 -16.117   3.058  -0.403
   12    HE1  TRP   2           HE1      TRP   2 -17.943   1.826  -1.725
   13    HE3  TRP   2           HE3      TRP   2 -13.154   0.448  -3.667
   14    HZ2  TRP   2           HZ2      TRP   2 -18.115  -0.003  -3.864
   15    HZ3  TRP   2           HZ3      TRP   2 -14.236  -1.019  -5.319
   16    HH2  TRP   2           HH2      TRP   2 -16.665  -1.239  -5.413
   17    H    CYS   3           H        CYS   3 -10.882   0.295   0.590
   18    HA   CYS   3           HA       CYS   3  -8.849   2.331   0.350
   19    HB2  CYS   3           2HB      CYS   3  -8.052   2.173   2.675
   20    HB3  CYS   3           3HB      CYS   3  -9.691   2.808   2.612
   21    H    ALA   4           H        ALA   4  -6.672   1.482   0.706
   22    HA   ALA   4           HA       ALA   4  -6.441  -1.260  -0.225
   23    HB1  ALA   4           3HB      ALA   4  -4.330   0.859   0.211
   24    HB2  ALA   4           1HB      ALA   4  -5.129   0.492  -1.315
   25    HB3  ALA   4           2HB      ALA   4  -4.071  -0.705  -0.565
   26    H    GLU   5           H        GLU   5  -6.185  -2.916   1.113
   27    HA   GLU   5           HA       GLU   5  -5.496  -2.452   3.897
   28    HB2  GLU   5           2HB      GLU   5  -6.236  -4.754   4.278
   29    HB3  GLU   5           3HB      GLU   5  -7.441  -3.848   3.382
   30    HG2  GLU   5           2HG      GLU   5  -6.545  -4.928   1.295
   31    HG3  GLU   5           3HG      GLU   5  -5.577  -5.963   2.338
   32    H    GLU   6           H        GLU   6  -4.419  -5.133   4.355
   33    HA   GLU   6           HA       GLU   6  -1.645  -4.541   3.812
   34    HB2  GLU   6           2HB      GLU   6  -1.187  -6.574   5.210
   35    HB3  GLU   6           3HB      GLU   6  -2.097  -5.317   6.025
   36    HG2  GLU   6           2HG      GLU   6  -3.520  -7.622   4.748
   37    HG3  GLU   6           3HG      GLU   6  -2.775  -7.797   6.335
   38    H    GLY   7           H        GLY   7  -0.704  -5.083   2.007
   39    HA2  GLY   7           2HA      GLY   7   0.226  -6.798   0.596
   40    HA3  GLY   7           3HA      GLY   7  -1.248  -7.728   0.821
   41    H    GLU   8           H        GLU   8  -2.055  -4.531   0.379
   42    HA   GLU   8           HA       GLU   8  -2.537  -4.933  -2.499
   43    HB2  GLU   8           2HB      GLU   8  -4.164  -3.521  -0.388
   44    HB3  GLU   8           3HB      GLU   8  -4.407  -3.210  -2.100
   45    HG2  GLU   8           2HG      GLU   8  -4.538  -5.988  -0.981
   46    HG3  GLU   8           3HG      GLU   8  -5.932  -4.911  -0.949
   47    H    SER   9           H        SER   9  -2.560  -2.968  -3.824
   48    HA   SER   9           HA       SER   9  -0.283  -1.308  -3.229
   49    HB2  SER   9           2HB      SER   9  -0.731  -0.347  -5.487
   50    HB3  SER   9           3HB      SER   9  -0.562  -2.101  -5.487
   51    HG   SER   9           HG       SER   9  -2.629  -2.323  -5.967
   52    H    CYS  10           H        CYS  10  -0.233   0.715  -2.519
   53    HA   CYS  10           HA       CYS  10  -2.791   2.049  -1.977
   54    HB2  CYS  10           2HB      CYS  10  -1.599   3.349  -0.297
   55    HB3  CYS  10           3HB      CYS  10  -1.318   1.631  -0.041
   56    H    GLU  11           H        GLU  11  -1.504   2.014  -4.598
   57    HA   GLU  11           HA       GLU  11  -0.455   4.675  -5.042
   58    HB2  GLU  11           2HB      GLU  11  -0.195   3.980  -7.369
   59    HB3  GLU  11           3HB      GLU  11   0.473   2.777  -6.280
   60    HG2  GLU  11           2HG      GLU  11  -0.627   1.337  -7.624
   61    HG3  GLU  11           3HG      GLU  11  -2.013   1.775  -6.624
   62    H    VAL  12           H        VAL  12  -3.524   3.310  -4.851
   63    HA   VAL  12           HA       VAL  12  -4.701   5.540  -6.363
   64    HB   VAL  12           HB       VAL  12  -5.068   3.390  -7.520
   65   HG11  VAL  12          1HG1      VAL  12  -5.228   1.601  -6.149
   66   HG12  VAL  12          2HG1      VAL  12  -6.954   1.939  -6.299
   67   HG13  VAL  12          3HG1      VAL  12  -6.062   2.502  -4.884
   68   HG21  VAL  12          3HG2      VAL  12  -7.547   4.672  -6.401
   69   HG22  VAL  12          1HG2      VAL  12  -7.536   3.537  -7.749
   70   HG23  VAL  12          2HG2      VAL  12  -6.699   5.080  -7.891
   71    H    TYR  13           H        TYR  13  -5.013   3.371  -3.585
   72    HA   TYR  13           HA       TYR  13  -6.559   5.440  -2.196
   73    HB2  TYR  13           2HB      TYR  13  -7.104   2.522  -2.479
   74    HB3  TYR  13           3HB      TYR  13  -7.527   3.317  -0.980
   75    HD1  TYR  13           HD2      TYR  13  -8.157   3.299  -4.626
   76    HD2  TYR  13           HD1      TYR  13  -9.451   4.693  -0.820
   77    HE1  TYR  13           HE2      TYR  13 -10.263   4.063  -5.630
   78    HE2  TYR  13           HE1      TYR  13 -11.563   5.454  -1.812
   79    HH   TYR  13           HH       TYR  13 -12.432   6.115  -4.020
   80    HA   PRO  14           HA       PRO  14  -3.567   5.028   1.096
   81    HB2  PRO  14           2HB      PRO  14  -5.097   5.660   3.268
   82    HB3  PRO  14           3HB      PRO  14  -4.583   6.869   2.076
   83    HG2  PRO  14           2HG      PRO  14  -7.209   5.476   2.333
   84    HG3  PRO  14           3HG      PRO  14  -6.867   7.183   1.980
   85    HD2  PRO  14           2HD      PRO  14  -7.522   5.403   0.052
   86    HD3  PRO  14           3HD      PRO  14  -6.440   6.775  -0.239
   87    H    CYS  15           H        CYS  15  -3.556   4.063   3.551
   88    HA   CYS  15           HA       CYS  15  -4.142   1.254   3.244
   89    HB2  CYS  15           2HB      CYS  15  -2.984   2.682   5.644
   90    HB3  CYS  15           3HB      CYS  15  -2.968   0.957   5.348
   91    H    CYS  16           H        CYS  16  -5.034   0.142   5.412
   92    HA   CYS  16           HA       CYS  16  -7.563   1.524   6.007
   93    HB2  CYS  16           2HB      CYS  16  -7.088  -1.452   5.863
   94    HB3  CYS  16           3HB      CYS  16  -8.635  -0.658   6.146
   95    H    ASP  17           H        ASP  17  -5.393  -0.959   7.407
   96    HA   ASP  17           HA       ASP  17  -6.441  -0.446  10.067
   97    HB2  ASP  17           2HB      ASP  17  -4.420  -2.411   8.989
   98    HB3  ASP  17           3HB      ASP  17  -4.768  -2.258  10.708
   99    H    GLY  18           H        GLY  18  -4.537   1.416   8.401
  100    HA2  GLY  18           2HA      GLY  18  -3.213   3.179   9.205
  101    HA3  GLY  18           3HA      GLY  18  -3.003   2.305  10.716
  102    H    LEU  19           H        LEU  19  -2.446   1.002   7.509
  103    HA   LEU  19           HA       LEU  19   0.216   0.158   8.184
  104    HB2  LEU  19           2HB      LEU  19  -1.231  -0.011   5.551
  105    HB3  LEU  19           3HB      LEU  19   0.190  -0.920   6.003
  106    HG   LEU  19           HG       LEU  19  -2.187  -1.276   7.741
  107   HD11  LEU  19          1HD1      LEU  19  -3.280  -2.816   6.237
  108   HD12  LEU  19          2HD1      LEU  19  -2.079  -2.502   4.987
  109   HD13  LEU  19          3HD1      LEU  19  -3.191  -1.225   5.485
  110   HD21  LEU  19          3HD2      LEU  19  -1.253  -3.287   8.188
  111   HD22  LEU  19          1HD2      LEU  19   0.201  -2.466   7.629
  112   HD23  LEU  19          2HD2      LEU  19  -0.695  -3.520   6.534
  113    H    ILE  20           H        ILE  20   2.015   0.472   6.598
  114    HA   ILE  20           HA       ILE  20   2.159   3.296   5.773
  115    HB   ILE  20           HB       ILE  20   4.403   1.389   6.510
  116   HG12  ILE  20          2HG1      ILE  20   4.048   3.911   8.002
  117   HG13  ILE  20          3HG1      ILE  20   2.751   2.741   8.216
  118   HG21  ILE  20          1HG2      ILE  20   4.462   4.194   5.429
  119   HG22  ILE  20          2HG2      ILE  20   5.385   2.783   4.907
  120   HG23  ILE  20          3HG2      ILE  20   5.775   3.576   6.436
  121   HD11  ILE  20          3HD1      ILE  20   4.442   2.510   9.942
  122   HD12  ILE  20          1HD1      ILE  20   5.680   2.244   8.714
  123   HD13  ILE  20          2HD1      ILE  20   4.383   1.068   8.927
  124    H    CYS  21           H        CYS  21   2.912   3.838   3.755
  125    HA   CYS  21           HA       CYS  21   2.671   1.825   1.690
  126    HB2  CYS  21           2HB      CYS  21   3.031   4.810   1.730
  127    HB3  CYS  21           3HB      CYS  21   3.237   3.907   0.230
  128    H    TYR  22           H        TYR  22   4.344   0.498   1.513
  129    HA   TYR  22           HA       TYR  22   7.058   1.334   1.930
  130    HB2  TYR  22           2HB      TYR  22   5.697  -1.251   1.294
  131    HB3  TYR  22           3HB      TYR  22   7.439  -1.111   1.074
  132    HD1  TYR  22           HD1      TYR  22   8.915  -0.803   2.976
  133    HD2  TYR  22           HD2      TYR  22   4.719  -1.240   3.516
  134    HE1  TYR  22           HE1      TYR  22   9.275  -1.233   5.368
  135    HE2  TYR  22           HE2      TYR  22   5.068  -1.674   5.911
  136    HH   TYR  22           HH       TYR  22   6.854  -2.470   7.400
  137    HA   PRO  23           HA       PRO  23   7.945   2.397  -2.311
  138    HB2  PRO  23           2HB      PRO  23  10.671   2.230  -2.238
  139    HB3  PRO  23           3HB      PRO  23   9.772   3.559  -1.484
  140    HG2  PRO  23           2HG      PRO  23  10.965   1.138  -0.222
  141    HG3  PRO  23           3HG      PRO  23  10.943   2.817   0.353
  142    HD2  PRO  23           2HD      PRO  23   9.234   0.916   1.292
  143    HD3  PRO  23           3HD      PRO  23   8.823   2.634   1.212
  144    H    THR  24           H        THR  24   6.874   0.118  -2.541
  145    HA   THR  24           HA       THR  24   8.747  -1.932  -3.455
  146    HB   THR  24           HB       THR  24   6.850  -3.446  -3.516
  147    HG1  THR  24           HG1      THR  24   5.300  -1.779  -4.185
  148   HG21  THR  24          3HG2      THR  24   7.916  -3.036  -1.325
  149   HG22  THR  24          1HG2      THR  24   6.208  -3.450  -1.169
  150   HG23  THR  24          2HG2      THR  24   6.727  -1.771  -1.003
  151    H    PHE  25           H        PHE  25   8.552  -2.918  -5.526
  152    HA   PHE  25           HA       PHE  25   7.450  -1.094  -7.541
  153    HB2  PHE  25           2HB      PHE  25   9.925  -2.655  -7.383
  154    HB3  PHE  25           3HB      PHE  25   9.106  -2.781  -8.932
  155    HD1  PHE  25           HD2      PHE  25  10.471  -0.334  -6.491
  156    HD2  PHE  25           HD1      PHE  25   9.260  -1.069 -10.507
  157    HE1  PHE  25           HE2      PHE  25  11.417   1.834  -7.172
  158    HE2  PHE  25           HE1      PHE  25  10.199   1.095 -11.191
  159    HZ   PHE  25           HZ       PHE  25  11.281   2.551  -9.525
  160    HA   PRO  26           HA       PRO  26   7.084  -1.110  -9.753
  161    HB2  PRO  26           2HB      PRO  26   4.411  -1.079 -10.851
  162    HB3  PRO  26           3HB      PRO  26   5.942  -1.360 -11.693
  163    HG2  PRO  26           2HG      PRO  26   4.027  -3.268 -11.346
  164    HG3  PRO  26           3HG      PRO  26   5.752  -3.614 -11.570
  165    HD2  PRO  26           2HD      PRO  26   4.142  -3.596  -9.056
  166    HD3  PRO  26           3HD      PRO  26   5.453  -4.688  -9.553
  167    H    GLU  27           H        GLU  27   4.017  -1.719  -8.059
  168    HA   GLU  27           HA       GLU  27   3.924   1.124  -7.330
  169    HB2  GLU  27           2HB      GLU  27   1.496   0.756  -6.834
  170    HB3  GLU  27           3HB      GLU  27   1.932   0.593  -8.524
  171    HG2  GLU  27           2HG      GLU  27   1.751  -1.835  -6.791
  172    HG3  GLU  27           3HG      GLU  27   0.286  -1.094  -7.430
  173    HA   PRO  28           HA       PRO  28   4.822   0.125  -3.080
  174    HB2  PRO  28           2HB      PRO  28   3.355   2.061  -1.780
  175    HB3  PRO  28           3HB      PRO  28   4.929   2.355  -2.555
  176    HG2  PRO  28           2HG      PRO  28   2.191   2.913  -3.578
  177    HG3  PRO  28           3HG      PRO  28   3.660   3.899  -3.696
  178    HD2  PRO  28           2HD      PRO  28   2.772   2.443  -5.770
  179    HD3  PRO  28           3HD      PRO  28   4.506   2.670  -5.459
  180    H    ILE  29           H        ILE  29   3.955  -0.737  -1.156
  181    HA   ILE  29           HA       ILE  29   1.122  -1.561  -1.304
  182    HB   ILE  29           HB       ILE  29   3.288  -3.249  -0.038
  183   HG12  ILE  29          2HG1      ILE  29   3.927  -3.118  -2.369
  184   HG13  ILE  29          3HG1      ILE  29   3.246  -4.706  -2.060
  185   HG21  ILE  29          1HG2      ILE  29   1.054  -3.764   0.723
  186   HG22  ILE  29          2HG2      ILE  29   1.663  -5.083  -0.277
  187   HG23  ILE  29          3HG2      ILE  29   0.495  -3.942  -0.943
  188   HD11  ILE  29          3HD1      ILE  29   1.202  -4.096  -3.194
  189   HD12  ILE  29          1HD1      ILE  29   2.581  -3.747  -4.238
  190   HD13  ILE  29          2HD1      ILE  29   1.764  -2.434  -3.387
  191    H    CYS  30           H        CYS  30   0.058  -1.871   0.724
  192    HA   CYS  30           HA       CYS  30   0.985  -0.034   2.776
  193    HB2  CYS  30           2HB      CYS  30  -1.611  -1.303   2.041
  194    HB3  CYS  30           3HB      CYS  30  -1.384  -0.836   3.715
  195    H    GLY  31           H        GLY  31   2.109  -0.726   4.479
  196    HA2  GLY  31           2HA      GLY  31   1.421  -3.212   5.818
  197    HA3  GLY  31           3HA      GLY  31   3.024  -3.162   5.111
  198    H    VAL  32           H        VAL  32   2.032  -3.322   7.935
  199    HA   VAL  32           HA       VAL  32   3.038  -0.849   9.107
  200    HB   VAL  32           HB       VAL  32   2.540  -2.126  11.327
  201   HG11  VAL  32          1HG1      VAL  32   0.125  -1.469   9.679
  202   HG12  VAL  32          2HG1      VAL  32   1.239  -0.222  10.236
  203   HG13  VAL  32          3HG1      VAL  32   0.383  -1.229  11.404
  204   HG21  VAL  32          3HG2      VAL  32   0.839  -3.836  11.222
  205   HG22  VAL  32          1HG2      VAL  32   2.232  -4.352  10.272
  206   HG23  VAL  32          2HG2      VAL  32   0.791  -3.735   9.463
  Start of MODEL   19
    1    H1   PCA   1           HN       PCA   1 -17.421   0.667   1.878
    2    HA   PCA   1           HA       PCA   1 -15.548   2.147   2.814
    3    HB2  PCA   1           1HB      PCA   1 -13.950  -0.098   3.720
    4    HB3  PCA   1           2HB      PCA   1 -14.430   1.331   4.400
    5    HG2  PCA   1           1HG      PCA   1 -15.687  -1.214   5.004
    6    HG3  PCA   1           2HG      PCA   1 -15.997   0.335   5.504
    7    H    TRP   2           H        TRP   2 -13.653   2.571   1.662
    8    HA   TRP   2           HA       TRP   2 -12.790   0.662  -0.370
    9    HB2  TRP   2           2HB      TRP   2 -13.514   3.541  -0.978
   10    HB3  TRP   2           3HB      TRP   2 -12.730   2.437  -2.100
   11    HD1  TRP   2           HD1      TRP   2 -16.111   3.104  -0.427
   12    HE1  TRP   2           HE1      TRP   2 -17.944   1.875  -1.741
   13    HE3  TRP   2           HE3      TRP   2 -13.162   0.453  -3.670
   14    HZ2  TRP   2           HZ2      TRP   2 -18.126   0.032  -3.870
   15    HZ3  TRP   2           HZ3      TRP   2 -14.251  -1.018  -5.312
   16    HH2  TRP   2           HH2      TRP   2 -16.682  -1.223  -5.408
   17    H    CYS   3           H        CYS   3 -10.891   0.321   0.588
   18    HA   CYS   3           HA       CYS   3  -8.848   2.343   0.337
   19    HB2  CYS   3           2HB      CYS   3  -8.056   2.202   2.663
   20    HB3  CYS   3           3HB      CYS   3  -9.696   2.836   2.597
   21    H    ALA   4           H        ALA   4  -6.674   1.486   0.712
   22    HA   ALA   4           HA       ALA   4  -6.452  -1.261  -0.206
   23    HB1  ALA   4           3HB      ALA   4  -4.341   0.859   0.226
   24    HB2  ALA   4           1HB      ALA   4  -5.128   0.470  -1.303
   25    HB3  ALA   4           2HB      ALA   4  -4.075  -0.715  -0.529
   26    H    GLU   5           H        GLU   5  -6.177  -2.920   1.132
   27    HA   GLU   5           HA       GLU   5  -5.502  -2.435   3.919
   28    HB2  GLU   5           2HB      GLU   5  -6.255  -4.729   4.319
   29    HB3  GLU   5           3HB      GLU   5  -7.457  -3.821   3.421
   30    HG2  GLU   5           2HG      GLU   5  -6.579  -4.921   1.338
   31    HG3  GLU   5           3HG      GLU   5  -5.610  -5.955   2.380
   32    H    GLU   6           H        GLU   6  -4.446  -5.124   4.392
   33    HA   GLU   6           HA       GLU   6  -1.666  -4.557   3.853
   34    HB2  GLU   6           2HB      GLU   6  -1.246  -6.612   5.249
   35    HB3  GLU   6           3HB      GLU   6  -2.115  -5.323   6.062
   36    HG2  GLU   6           2HG      GLU   6  -4.218  -6.537   5.739
   37    HG3  GLU   6           3HG      GLU   6  -3.344  -7.828   4.917
   38    H    GLY   7           H        GLY   7  -0.729  -5.108   2.047
   39    HA2  GLY   7           2HA      GLY   7   0.190  -6.823   0.634
   40    HA3  GLY   7           3HA      GLY   7  -1.282  -7.754   0.871
   41    H    GLU   8           H        GLU   8  -2.042  -4.533   0.410
   42    HA   GLU   8           HA       GLU   8  -2.558  -4.955  -2.460
   43    HB2  GLU   8           2HB      GLU   8  -4.171  -3.531  -0.347
   44    HB3  GLU   8           3HB      GLU   8  -4.419  -3.223  -2.059
   45    HG2  GLU   8           2HG      GLU   8  -4.557  -5.999  -0.931
   46    HG3  GLU   8           3HG      GLU   8  -5.946  -4.915  -0.898
   47    H    SER   9           H        SER   9  -2.581  -2.999  -3.793
   48    HA   SER   9           HA       SER   9  -0.296  -1.343  -3.222
   49    HB2  SER   9           2HB      SER   9  -0.738  -0.409  -5.488
   50    HB3  SER   9           3HB      SER   9  -0.608  -2.167  -5.471
   51    HG   SER   9           HG       SER   9  -2.501  -2.171  -6.358
   52    H    CYS  10           H        CYS  10  -0.239   0.685  -2.517
   53    HA   CYS  10           HA       CYS  10  -2.792   2.032  -1.985
   54    HB2  CYS  10           2HB      CYS  10  -1.600   3.330  -0.306
   55    HB3  CYS  10           3HB      CYS  10  -1.321   1.612  -0.045
   56    H    GLU  11           H        GLU  11  -1.487   1.979  -4.602
   57    HA   GLU  11           HA       GLU  11  -0.428   4.632  -5.053
   58    HB2  GLU  11           2HB      GLU  11  -0.166   3.929  -7.376
   59    HB3  GLU  11           3HB      GLU  11   0.492   2.723  -6.284
   60    HG2  GLU  11           2HG      GLU  11  -0.618   1.290  -7.627
   61    HG3  GLU  11           3HG      GLU  11  -2.003   1.741  -6.633
   62    H    VAL  12           H        VAL  12  -3.503   3.293  -4.853
   63    HA   VAL  12           HA       VAL  12  -4.667   5.523  -6.374
   64    HB   VAL  12           HB       VAL  12  -5.045   3.376  -7.528
   65   HG11  VAL  12          1HG1      VAL  12  -6.053   2.497  -4.893
   66   HG12  VAL  12          2HG1      VAL  12  -5.215   1.590  -6.154
   67   HG13  VAL  12          3HG1      VAL  12  -6.938   1.935  -6.312
   68   HG21  VAL  12          3HG2      VAL  12  -7.516   4.675  -6.413
   69   HG22  VAL  12          1HG2      VAL  12  -7.516   3.533  -7.757
   70   HG23  VAL  12          2HG2      VAL  12  -6.666   5.072  -7.906
   71    H    TYR  13           H        TYR  13  -5.002   3.356  -3.595
   72    HA   TYR  13           HA       TYR  13  -6.539   5.440  -2.213
   73    HB2  TYR  13           2HB      TYR  13  -7.095   2.524  -2.491
   74    HB3  TYR  13           3HB      TYR  13  -7.517   3.323  -0.993
   75    HD1  TYR  13           HD2      TYR  13  -8.140   3.307  -4.641
   76    HD2  TYR  13           HD1      TYR  13  -9.438   4.701  -0.837
   77    HE1  TYR  13           HE2      TYR  13 -10.241   4.077  -5.651
   78    HE2  TYR  13           HE1      TYR  13 -11.547   5.470  -1.834
   79    HH   TYR  13           HH       TYR  13 -12.408   6.134  -4.042
   80    HA   PRO  14           HA       PRO  14  -3.556   5.026   1.086
   81    HB2  PRO  14           2HB      PRO  14  -5.086   5.674   3.252
   82    HB3  PRO  14           3HB      PRO  14  -4.567   6.875   2.053
   83    HG2  PRO  14           2HG      PRO  14  -7.197   5.490   2.316
   84    HG3  PRO  14           3HG      PRO  14  -6.851   7.195   1.957
   85    HD2  PRO  14           2HD      PRO  14  -7.508   5.407   0.036
   86    HD3  PRO  14           3HD      PRO  14  -6.424   6.776  -0.260
   87    H    CYS  15           H        CYS  15  -3.545   4.068   3.538
   88    HA   CYS  15           HA       CYS  15  -4.147   1.261   3.244
   89    HB2  CYS  15           2HB      CYS  15  -2.972   2.692   5.633
   90    HB3  CYS  15           3HB      CYS  15  -2.970   0.965   5.345
   91    H    CYS  16           H        CYS  16  -5.036   0.161   5.416
   92    HA   CYS  16           HA       CYS  16  -7.555   1.560   6.022
   93    HB2  CYS  16           2HB      CYS  16  -7.112  -1.421   5.876
   94    HB3  CYS  16           3HB      CYS  16  -8.649  -0.607   6.151
   95    H    ASP  17           H        ASP  17  -5.406  -0.952   7.405
   96    HA   ASP  17           HA       ASP  17  -6.436  -0.443  10.071
   97    HB2  ASP  17           2HB      ASP  17  -5.759  -2.730   9.000
   98    HB3  ASP  17           3HB      ASP  17  -4.128  -2.271   9.479
   99    H    GLY  18           H        GLY  18  -4.552   1.438   8.414
  100    HA2  GLY  18           2HA      GLY  18  -3.207   3.185   9.205
  101    HA3  GLY  18           3HA      GLY  18  -2.997   2.311  10.716
  102    H    LEU  19           H        LEU  19  -2.450   1.004   7.506
  103    HA   LEU  19           HA       LEU  19   0.212   0.155   8.176
  104    HB2  LEU  19           2HB      LEU  19  -1.238  -0.012   5.545
  105    HB3  LEU  19           3HB      LEU  19   0.179  -0.924   5.998
  106    HG   LEU  19           HG       LEU  19  -2.195  -1.275   7.737
  107   HD11  LEU  19          1HD1      LEU  19  -2.098  -2.501   4.984
  108   HD12  LEU  19          2HD1      LEU  19  -3.199  -1.216   5.480
  109   HD13  LEU  19          3HD1      LEU  19  -3.301  -2.804   6.235
  110   HD21  LEU  19          3HD2      LEU  19  -0.707  -3.517   6.519
  111   HD22  LEU  19          1HD2      LEU  19  -1.273  -3.296   8.172
  112   HD23  LEU  19          2HD2      LEU  19   0.187  -2.472   7.625
  113    H    ILE  20           H        ILE  20   2.010   0.467   6.598
  114    HA   ILE  20           HA       ILE  20   2.157   3.289   5.768
  115    HB   ILE  20           HB       ILE  20   4.399   1.381   6.507
  116   HG12  ILE  20          2HG1      ILE  20   4.047   3.908   7.993
  117   HG13  ILE  20          3HG1      ILE  20   2.750   2.739   8.211
  118   HG21  ILE  20          1HG2      ILE  20   4.462   4.182   5.418
  119   HG22  ILE  20          2HG2      ILE  20   5.385   2.769   4.905
  120   HG23  ILE  20          3HG2      ILE  20   5.773   3.568   6.430
  121   HD11  ILE  20          3HD1      ILE  20   4.382   1.068   8.926
  122   HD12  ILE  20          1HD1      ILE  20   4.440   2.512   9.937
  123   HD13  ILE  20          2HD1      ILE  20   5.677   2.243   8.710
  124    H    CYS  21           H        CYS  21   2.909   3.828   3.750
  125    HA   CYS  21           HA       CYS  21   2.666   1.815   1.686
  126    HB2  CYS  21           2HB      CYS  21   3.026   4.799   1.723
  127    HB3  CYS  21           3HB      CYS  21   3.236   3.897   0.225
  128    H    TYR  22           H        TYR  22   4.337   0.484   1.515
  129    HA   TYR  22           HA       TYR  22   7.053   1.311   1.932
  130    HB2  TYR  22           2HB      TYR  22   5.680  -1.264   1.288
  131    HB3  TYR  22           3HB      TYR  22   7.422  -1.132   1.059
  132    HD1  TYR  22           HD1      TYR  22   8.908  -0.851   2.952
  133    HD2  TYR  22           HD2      TYR  22   4.711  -1.246   3.515
  134    HE1  TYR  22           HE1      TYR  22   9.279  -1.293   5.342
  135    HE2  TYR  22           HE2      TYR  22   5.069  -1.692   5.908
  136    HH   TYR  22           HH       TYR  22   6.858  -2.513   7.382
  137    HA   PRO  23           HA       PRO  23   7.943   2.392  -2.305
  138    HB2  PRO  23           2HB      PRO  23  10.669   2.225  -2.231
  139    HB3  PRO  23           3HB      PRO  23   9.769   3.552  -1.472
  140    HG2  PRO  23           2HG      PRO  23  10.962   1.126  -0.219
  141    HG3  PRO  23           3HG      PRO  23  10.937   2.802   0.365
  142    HD2  PRO  23           2HD      PRO  23   9.229   0.894   1.292
  143    HD3  PRO  23           3HD      PRO  23   8.819   2.614   1.220
  144    H    THR  24           H        THR  24   6.872   0.122  -2.554
  145    HA   THR  24           HA       THR  24   8.743  -1.928  -3.474
  146    HB   THR  24           HB       THR  24   6.846  -3.441  -3.545
  147    HG1  THR  24           HG1      THR  24   4.934  -2.618  -3.885
  148   HG21  THR  24          3HG2      THR  24   6.190  -3.448  -1.200
  149   HG22  THR  24          1HG2      THR  24   6.718  -1.773  -1.026
  150   HG23  THR  24          2HG2      THR  24   7.901  -3.044  -1.348
  151    H    PHE  25           H        PHE  25   8.555  -2.897  -5.550
  152    HA   PHE  25           HA       PHE  25   7.479  -1.050  -7.556
  153    HB2  PHE  25           2HB      PHE  25   9.929  -2.656  -7.399
  154    HB3  PHE  25           3HB      PHE  25   9.117  -2.745  -8.954
  155    HD1  PHE  25           HD2      PHE  25  10.509  -0.356  -6.470
  156    HD2  PHE  25           HD1      PHE  25   9.315  -1.015 -10.505
  157    HE1  PHE  25           HE2      PHE  25  11.497   1.804  -7.115
  158    HE2  PHE  25           HE1      PHE  25  10.297   1.141 -11.153
  159    HZ   PHE  25           HZ       PHE  25  11.393   2.555  -9.459
  160    HA   PRO  26           HA       PRO  26   7.129  -1.036  -9.757
  161    HB2  PRO  26           2HB      PRO  26   4.491  -0.962 -10.914
  162    HB3  PRO  26           3HB      PRO  26   6.033  -1.284 -11.723
  163    HG2  PRO  26           2HG      PRO  26   4.058  -3.141 -11.405
  164    HG3  PRO  26           3HG      PRO  26   5.777  -3.532 -11.606
  165    HD2  PRO  26           2HD      PRO  26   4.136  -3.470  -9.113
  166    HD3  PRO  26           3HD      PRO  26   5.424  -4.596  -9.591
  167    H    GLU  27           H        GLU  27   4.102  -1.670  -8.050
  168    HA   GLU  27           HA       GLU  27   3.948   1.176  -7.328
  169    HB2  GLU  27           2HB      GLU  27   1.495   0.674  -6.832
  170    HB3  GLU  27           3HB      GLU  27   1.972   0.714  -8.519
  171    HG2  GLU  27           2HG      GLU  27   2.193  -1.857  -8.268
  172    HG3  GLU  27           3HG      GLU  27   1.201  -1.631  -6.830
  173    HA   PRO  28           HA       PRO  28   4.817   0.127  -3.085
  174    HB2  PRO  28           2HB      PRO  28   3.344   2.052  -1.777
  175    HB3  PRO  28           3HB      PRO  28   4.922   2.351  -2.539
  176    HG2  PRO  28           2HG      PRO  28   2.192   2.919  -3.577
  177    HG3  PRO  28           3HG      PRO  28   3.663   3.906  -3.673
  178    HD2  PRO  28           2HD      PRO  28   2.792   2.473  -5.767
  179    HD3  PRO  28           3HD      PRO  28   4.523   2.694  -5.440
  180    H    ILE  29           H        ILE  29   3.940  -0.724  -1.159
  181    HA   ILE  29           HA       ILE  29   1.115  -1.570  -1.316
  182    HB   ILE  29           HB       ILE  29   3.294  -3.239  -0.046
  183   HG12  ILE  29          2HG1      ILE  29   3.924  -3.119  -2.379
  184   HG13  ILE  29          3HG1      ILE  29   3.250  -4.707  -2.060
  185   HG21  ILE  29          1HG2      ILE  29   1.065  -3.763   0.727
  186   HG22  ILE  29          2HG2      ILE  29   1.687  -5.087  -0.258
  187   HG23  ILE  29          3HG2      ILE  29   0.505  -3.966  -0.933
  188   HD11  ILE  29          3HD1      ILE  29   2.568  -3.774  -4.239
  189   HD12  ILE  29          1HD1      ILE  29   1.764  -2.446  -3.400
  190   HD13  ILE  29          2HD1      ILE  29   1.193  -4.102  -3.184
  191    H    CYS  30           H        CYS  30   0.053  -1.892   0.721
  192    HA   CYS  30           HA       CYS  30   0.977  -0.046   2.770
  193    HB2  CYS  30           2HB      CYS  30  -1.619  -1.321   2.042
  194    HB3  CYS  30           3HB      CYS  30  -1.388  -0.847   3.714
  195    H    GLY  31           H        GLY  31   2.098  -0.733   4.475
  196    HA2  GLY  31           2HA      GLY  31   1.416  -3.218   5.816
  197    HA3  GLY  31           3HA      GLY  31   3.016  -3.171   5.105
  198    H    VAL  32           H        VAL  32   2.026  -3.323   7.932
  199    HA   VAL  32           HA       VAL  32   3.038  -0.850   9.097
  200    HB   VAL  32           HB       VAL  32   2.543  -2.123  11.320
  201   HG11  VAL  32          1HG1      VAL  32   1.240  -0.220  10.229
  202   HG12  VAL  32          2HG1      VAL  32   0.388  -1.225  11.397
  203   HG13  VAL  32          3HG1      VAL  32   0.125  -1.469   9.674
  204   HG21  VAL  32          3HG2      VAL  32   2.231  -4.350  10.255
  205   HG22  VAL  32          1HG2      VAL  32   0.779  -3.729   9.468
  206   HG23  VAL  32          2HG2      VAL  32   0.851  -3.838  11.226
  Start of MODEL   20
    1    H1   PCA   1           HN       PCA   1 -17.409   0.734   2.084
    2    HA   PCA   1           HA       PCA   1 -15.512   2.215   2.966
    3    HB2  PCA   1           1HB      PCA   1 -13.900  -0.027   3.856
    4    HB3  PCA   1           2HB      PCA   1 -14.361   1.411   4.535
    5    HG2  PCA   1           1HG      PCA   1 -15.612  -1.125   5.189
    6    HG3  PCA   1           2HG      PCA   1 -15.906   0.429   5.681
    7    H    TRP   2           H        TRP   2 -13.640   2.624   1.772
    8    HA   TRP   2           HA       TRP   2 -12.826   0.696  -0.264
    9    HB2  TRP   2           2HB      TRP   2 -13.559   3.570  -0.883
   10    HB3  TRP   2           3HB      TRP   2 -12.802   2.451  -2.011
   11    HD1  TRP   2           HD1      TRP   2 -16.144   3.152  -0.275
   12    HE1  TRP   2           HE1      TRP   2 -18.009   1.910  -1.532
   13    HE3  TRP   2           HE3      TRP   2 -13.274   0.443  -3.542
   14    HZ2  TRP   2           HZ2      TRP   2 -18.243   0.037  -3.628
   15    HZ3  TRP   2           HZ3      TRP   2 -14.403  -1.048  -5.138
   16    HH2  TRP   2           HH2      TRP   2 -16.835  -1.247  -5.179
   17    H    CYS   3           H        CYS   3 -10.905   0.360   0.652
   18    HA   CYS   3           HA       CYS   3  -8.863   2.373   0.335
   19    HB2  CYS   3           2HB      CYS   3  -8.026   2.250   2.655
   20    HB3  CYS   3           3HB      CYS   3  -9.654   2.915   2.598
   21    H    ALA   4           H        ALA   4  -6.676   1.499   0.737
   22    HA   ALA   4           HA       ALA   4  -6.478  -1.240  -0.201
   23    HB1  ALA   4           3HB      ALA   4  -5.122   0.568  -1.208
   24    HB2  ALA   4           1HB      ALA   4  -4.129  -0.739  -0.558
   25    HB3  ALA   4           2HB      ALA   4  -4.291   0.777   0.334
   26    H    GLU   5           H        GLU   5  -6.173  -2.939   1.085
   27    HA   GLU   5           HA       GLU   5  -5.603  -2.521   3.905
   28    HB2  GLU   5           2HB      GLU   5  -6.296  -4.851   4.212
   29    HB3  GLU   5           3HB      GLU   5  -7.497  -3.949   3.307
   30    HG2  GLU   5           2HG      GLU   5  -6.541  -4.956   1.222
   31    HG3  GLU   5           3HG      GLU   5  -5.549  -5.985   2.249
   32    H    GLU   6           H        GLU   6  -4.481  -5.207   4.324
   33    HA   GLU   6           HA       GLU   6  -1.696  -4.528   3.887
   34    HB2  GLU   6           2HB      GLU   6  -2.374  -7.150   5.112
   35    HB3  GLU   6           3HB      GLU   6  -1.157  -5.973   5.578
   36    HG2  GLU   6           2HG      GLU   6  -2.769  -4.652   6.726
   37    HG3  GLU   6           3HG      GLU   6  -4.099  -5.620   6.098
   38    H    GLY   7           H        GLY   7  -0.665  -5.080   2.133
   39    HA2  GLY   7           2HA      GLY   7   0.305  -6.746   0.714
   40    HA3  GLY   7           3HA      GLY   7  -1.140  -7.723   0.928
   41    H    GLU   8           H        GLU   8  -2.019  -4.539   0.448
   42    HA   GLU   8           HA       GLU   8  -2.479  -4.993  -2.425
   43    HB2  GLU   8           2HB      GLU   8  -4.139  -3.621  -0.325
   44    HB3  GLU   8           3HB      GLU   8  -4.357  -3.246  -2.027
   45    HG2  GLU   8           2HG      GLU   8  -4.502  -6.060  -0.996
   46    HG3  GLU   8           3HG      GLU   8  -5.898  -4.987  -0.984
   47    H    SER   9           H        SER   9  -2.564  -3.029  -3.768
   48    HA   SER   9           HA       SER   9  -0.291  -1.349  -3.228
   49    HB2  SER   9           2HB      SER   9  -0.730  -0.442  -5.484
   50    HB3  SER   9           3HB      SER   9  -0.662  -2.202  -5.473
   51    HG   SER   9           HG       SER   9  -2.833  -0.507  -5.894
   52    H    CYS  10           H        CYS  10  -0.231   0.747  -2.682
   53    HA   CYS  10           HA       CYS  10  -2.804   2.042  -2.075
   54    HB2  CYS  10           2HB      CYS  10  -1.631   3.324  -0.364
   55    HB3  CYS  10           3HB      CYS  10  -1.375   1.601  -0.116
   56    H    GLU  11           H        GLU  11  -1.655   2.077  -4.697
   57    HA   GLU  11           HA       GLU  11  -0.513   4.718  -5.076
   58    HB2  GLU  11           2HB      GLU  11  -0.358   4.106  -7.454
   59    HB3  GLU  11           3HB      GLU  11   0.389   2.906  -6.414
   60    HG2  GLU  11           2HG      GLU  11  -1.174   1.301  -6.914
   61    HG3  GLU  11           3HG      GLU  11  -2.431   2.480  -7.280
   62    H    VAL  12           H        VAL  12  -3.620   3.370  -4.960
   63    HA   VAL  12           HA       VAL  12  -4.756   5.704  -6.347
   64    HB   VAL  12           HB       VAL  12  -5.229   3.629  -7.581
   65   HG11  VAL  12          1HG1      VAL  12  -5.359   1.784  -6.272
   66   HG12  VAL  12          2HG1      VAL  12  -7.082   2.142  -6.369
   67   HG13  VAL  12          3HG1      VAL  12  -6.158   2.638  -4.952
   68   HG21  VAL  12          3HG2      VAL  12  -7.652   4.878  -6.303
   69   HG22  VAL  12          1HG2      VAL  12  -7.698   3.830  -7.721
   70   HG23  VAL  12          2HG2      VAL  12  -6.847   5.373  -7.792
   71    H    TYR  13           H        TYR  13  -5.096   3.441  -3.650
   72    HA   TYR  13           HA       TYR  13  -6.586   5.493  -2.175
   73    HB2  TYR  13           2HB      TYR  13  -7.138   2.585  -2.519
   74    HB3  TYR  13           3HB      TYR  13  -7.529   3.337  -0.991
   75    HD1  TYR  13           HD2      TYR  13  -8.251   3.389  -4.616
   76    HD2  TYR  13           HD1      TYR  13  -9.433   4.746  -0.761
   77    HE1  TYR  13           HE2      TYR  13 -10.377   4.184  -5.556
   78    HE2  TYR  13           HE1      TYR  13 -11.562   5.540  -1.690
   79    HH   TYR  13           HH       TYR  13 -12.481   6.235  -3.863
   80    HA   PRO  14           HA       PRO  14  -3.532   5.010   1.042
   81    HB2  PRO  14           2HB      PRO  14  -4.990   5.669   3.245
   82    HB3  PRO  14           3HB      PRO  14  -4.523   6.868   2.025
   83    HG2  PRO  14           2HG      PRO  14  -7.133   5.461   2.377
   84    HG3  PRO  14           3HG      PRO  14  -6.814   7.172   2.017
   85    HD2  PRO  14           2HD      PRO  14  -7.513   5.383   0.109
   86    HD3  PRO  14           3HD      PRO  14  -6.462   6.769  -0.215
   87    H    CYS  15           H        CYS  15  -3.569   4.086   3.544
   88    HA   CYS  15           HA       CYS  15  -4.135   1.265   3.251
   89    HB2  CYS  15           2HB      CYS  15  -2.960   2.740   5.614
   90    HB3  CYS  15           3HB      CYS  15  -2.963   1.008   5.373
   91    H    CYS  16           H        CYS  16  -5.016   0.198   5.474
   92    HA   CYS  16           HA       CYS  16  -7.529   1.614   6.076
   93    HB2  CYS  16           2HB      CYS  16  -7.142  -1.375   5.907
   94    HB3  CYS  16           3HB      CYS  16  -8.662  -0.530   6.177
   95    H    ASP  17           H        ASP  17  -5.429  -0.963   7.417
   96    HA   ASP  17           HA       ASP  17  -6.435  -0.469  10.094
   97    HB2  ASP  17           2HB      ASP  17  -4.468  -2.458   8.962
   98    HB3  ASP  17           3HB      ASP  17  -4.798  -2.330  10.687
   99    H    GLY  18           H        GLY  18  -4.503   1.387   8.455
  100    HA2  GLY  18           2HA      GLY  18  -3.143   3.105   9.301
  101    HA3  GLY  18           3HA      GLY  18  -2.925   2.179  10.778
  102    H    LEU  19           H        LEU  19  -2.440   0.966   7.524
  103    HA   LEU  19           HA       LEU  19   0.224   0.068   8.128
  104    HB2  LEU  19           2HB      LEU  19  -1.246   0.003   5.507
  105    HB3  LEU  19           3HB      LEU  19   0.154  -0.953   5.929
  106    HG   LEU  19           HG       LEU  19  -2.219  -1.315   7.668
  107   HD11  LEU  19          1HD1      LEU  19  -3.462  -2.638   6.160
  108   HD12  LEU  19          2HD1      LEU  19  -2.196  -2.572   4.937
  109   HD13  LEU  19          3HD1      LEU  19  -3.136  -1.131   5.316
  110   HD21  LEU  19          3HD2      LEU  19  -1.347  -3.380   8.010
  111   HD22  LEU  19          1HD2      LEU  19   0.129  -2.564   7.504
  112   HD23  LEU  19          2HD2      LEU  19  -0.779  -3.546   6.349
  113    H    ILE  20           H        ILE  20   1.998   0.415   6.529
  114    HA   ILE  20           HA       ILE  20   2.132   3.251   5.743
  115    HB   ILE  20           HB       ILE  20   4.390   1.363   6.481
  116   HG12  ILE  20          2HG1      ILE  20   4.004   3.875   7.985
  117   HG13  ILE  20          3HG1      ILE  20   2.718   2.690   8.186
  118   HG21  ILE  20          1HG2      ILE  20   4.416   4.161   5.387
  119   HG22  ILE  20          2HG2      ILE  20   5.386   2.765   4.908
  120   HG23  ILE  20          3HG2      ILE  20   5.722   3.591   6.431
  121   HD11  ILE  20          3HD1      ILE  20   4.404   2.470   9.919
  122   HD12  ILE  20          1HD1      ILE  20   5.648   2.221   8.695
  123   HD13  ILE  20          2HD1      ILE  20   4.362   1.031   8.899
  124    H    CYS  21           H        CYS  21   2.853   3.805   3.724
  125    HA   CYS  21           HA       CYS  21   2.649   1.798   1.656
  126    HB2  CYS  21           2HB      CYS  21   2.976   4.785   1.706
  127    HB3  CYS  21           3HB      CYS  21   3.194   3.890   0.203
  128    H    TYR  22           H        TYR  22   4.336   0.482   1.509
  129    HA   TYR  22           HA       TYR  22   7.042   1.343   1.923
  130    HB2  TYR  22           2HB      TYR  22   5.704  -1.255   1.285
  131    HB3  TYR  22           3HB      TYR  22   7.447  -1.099   1.079
  132    HD1  TYR  22           HD1      TYR  22   8.901  -0.759   2.997
  133    HD2  TYR  22           HD2      TYR  22   4.708  -1.263   3.488
  134    HE1  TYR  22           HE1      TYR  22   9.242  -1.182   5.395
  135    HE2  TYR  22           HE2      TYR  22   5.034  -1.689   5.889
  136    HH   TYR  22           HH       TYR  22   7.957  -1.054   7.489
  137    HA   PRO  23           HA       PRO  23   7.932   2.402  -2.318
  138    HB2  PRO  23           2HB      PRO  23  10.661   2.260  -2.238
  139    HB3  PRO  23           3HB      PRO  23   9.747   3.583  -1.488
  140    HG2  PRO  23           2HG      PRO  23  10.959   1.174  -0.220
  141    HG3  PRO  23           3HG      PRO  23  10.919   2.853   0.354
  142    HD2  PRO  23           2HD      PRO  23   9.225   0.935   1.288
  143    HD3  PRO  23           3HD      PRO  23   8.802   2.650   1.210
  144    H    THR  24           H        THR  24   6.882   0.124  -2.552
  145    HA   THR  24           HA       THR  24   8.770  -1.921  -3.450
  146    HB   THR  24           HB       THR  24   6.879  -3.446  -3.515
  147    HG1  THR  24           HG1      THR  24   5.091  -1.574  -2.468
  148   HG21  THR  24          3HG2      THR  24   6.753  -1.777  -0.997
  149   HG22  THR  24          1HG2      THR  24   7.951  -3.031  -1.326
  150   HG23  THR  24          2HG2      THR  24   6.247  -3.460  -1.166
  151    H    PHE  25           H        PHE  25   8.621  -2.890  -5.517
  152    HA   PHE  25           HA       PHE  25   7.514  -1.083  -7.541
  153    HB2  PHE  25           2HB      PHE  25   9.983  -2.656  -7.366
  154    HB3  PHE  25           3HB      PHE  25   9.175  -2.767  -8.923
  155    HD1  PHE  25           HD2      PHE  25  10.531  -0.341  -6.455
  156    HD2  PHE  25           HD1      PHE  25   9.355  -1.048 -10.486
  157    HE1  PHE  25           HE2      PHE  25  11.494   1.826  -7.114
  158    HE2  PHE  25           HE1      PHE  25  10.310   1.116 -11.150
  159    HZ   PHE  25           HZ       PHE  25  11.384   2.557  -9.464
  160    HA   PRO  26           HA       PRO  26   7.169  -1.093  -9.741
  161    HB2  PRO  26           2HB      PRO  26   4.535  -1.064 -10.909
  162    HB3  PRO  26           3HB      PRO  26   6.083  -1.377 -11.708
  163    HG2  PRO  26           2HG      PRO  26   4.128  -3.254 -11.375
  164    HG3  PRO  26           3HG      PRO  26   5.851  -3.626 -11.570
  165    HD2  PRO  26           2HD      PRO  26   4.204  -3.559  -9.080
  166    HD3  PRO  26           3HD      PRO  26   5.506  -4.673  -9.546
  167    H    GLU  27           H        GLU  27   4.161  -1.755  -8.018
  168    HA   GLU  27           HA       GLU  27   3.953   1.100  -7.341
  169    HB2  GLU  27           2HB      GLU  27   1.517   0.597  -6.860
  170    HB3  GLU  27           3HB      GLU  27   1.994   0.545  -8.547
  171    HG2  GLU  27           2HG      GLU  27   2.230  -2.004  -8.159
  172    HG3  GLU  27           3HG      GLU  27   1.247  -1.711  -6.726
  173    HA   PRO  28           HA       PRO  28   4.832   0.117  -3.082
  174    HB2  PRO  28           2HB      PRO  28   3.336   2.041  -1.800
  175    HB3  PRO  28           3HB      PRO  28   4.913   2.347  -2.563
  176    HG2  PRO  28           2HG      PRO  28   2.180   2.878  -3.611
  177    HG3  PRO  28           3HG      PRO  28   3.642   3.877  -3.718
  178    HD2  PRO  28           2HD      PRO  28   2.782   2.405  -5.795
  179    HD3  PRO  28           3HD      PRO  28   4.510   2.652  -5.473
  180    H    ILE  29           H        ILE  29   3.946  -0.717  -1.145
  181    HA   ILE  29           HA       ILE  29   1.126  -1.576  -1.308
  182    HB   ILE  29           HB       ILE  29   3.316  -3.249  -0.060
  183   HG12  ILE  29          2HG1      ILE  29   3.905  -3.111  -2.405
  184   HG13  ILE  29          3HG1      ILE  29   3.255  -4.707  -2.077
  185   HG21  ILE  29          1HG2      ILE  29   1.709  -5.096  -0.254
  186   HG22  ILE  29          2HG2      ILE  29   0.515  -3.974  -0.908
  187   HG23  ILE  29          3HG2      ILE  29   1.099  -3.775   0.744
  188   HD11  ILE  29          3HD1      ILE  29   1.747  -2.453  -3.407
  189   HD12  ILE  29          1HD1      ILE  29   1.159  -4.097  -3.149
  190   HD13  ILE  29          2HD1      ILE  29   2.514  -3.806  -4.239
  191    H    CYS  30           H        CYS  30   0.044  -1.853   0.699
  192    HA   CYS  30           HA       CYS  30   0.970  -0.038   2.768
  193    HB2  CYS  30           2HB      CYS  30  -1.622  -1.313   2.021
  194    HB3  CYS  30           3HB      CYS  30  -1.402  -0.851   3.697
  195    H    GLY  31           H        GLY  31   2.110  -0.747   4.457
  196    HA2  GLY  31           2HA      GLY  31   1.427  -3.257   5.759
  197    HA3  GLY  31           3HA      GLY  31   3.040  -3.166   5.082
  198    H    VAL  32           H        VAL  32   1.951  -3.370   7.885
  199    HA   VAL  32           HA       VAL  32   2.896  -0.914   9.125
  200    HB   VAL  32           HB       VAL  32   2.372  -2.243  11.306
  201   HG11  VAL  32          1HG1      VAL  32   1.055  -0.350  10.256
  202   HG12  VAL  32          2HG1      VAL  32   0.167  -1.434  11.325
  203   HG13  VAL  32          3HG1      VAL  32   0.006  -1.594   9.577
  204   HG21  VAL  32          3HG2      VAL  32   0.690  -3.984  11.108
  205   HG22  VAL  32          1HG2      VAL  32   2.150  -4.459  10.237
  206   HG23  VAL  32          2HG2      VAL  32   0.744  -3.870   9.349