*HEADER    UNKNOWN FUNCTION                        05-MAR-04   1SKH              
*TITLE     N-TERMINAL (1-30) OF BOVINE PRION PROTEIN                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MAJOR PRION PROTEIN 2;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN (RESIDUES 1-30);                         
*COMPND   5 SYNONYM: PRP, MAJOR SCRAPIE-ASSOCIATED FIBRIL PROTEIN 2              
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
*SOURCE   3 ORGANISM_COMMON: BOVINE                                              
*KEYWDS    COIL-HELIX-COIL                                                       
*EXPDTA    NMR, 22 STRUCTURES                                                    
*AUTHOR    H.BIVERSTAHL, A.ANDERSSON, A.GRASLUND, L.MALER                        
*REVDAT   1   01-MAR-05 1SKH    0                                                
  1 MET  HA      2 VAL  HN      4.50                
  2 VAL  HN      2 VAL  HA      3.50                
  2 VAL  HN      2 VAL  HB      4.50                
  2 VAL  HN      2 VAL  HB      4.50                
  2 VAL  HN      2 VAL  QQG     6.00                
  2 VAL  HN      2 VAL  QQG     4.50                
  2 VAL  HN      3 LYS  HN      4.50                
  2 VAL  HA      3 LYS  HN      3.50                
  2 VAL  HB      3 LYS  HN      3.50                
  2 VAL  HB      5 LYS  HN      6.00                
  2 VAL  QQG     3 LYS  HN      4.50                
  2 VAL  QQG     4 SER  HN      6.00                
  2 VAL  QQG     5 LYS  HN      4.50                
  3 LYS  HN      3 LYS  HA      3.50                
  3 LYS  HN      3 LYS  QB      4.50                
  3 LYS  HN      3 LYS  QB      4.50                
  3 LYS  HN      3 LYS  QG      6.00                
  3 LYS  HN      4 SER  HN      3.50                
  3 LYS  HA      4 SER  HN      3.50                
  3 LYS  QB      4 SER  HN      4.50                
  3 LYS  QG      4 SER  HN      6.00                
  4 SER  HN      4 SER  HA      3.50                
  4 SER  HN      4 SER  QB      3.50                
  4 SER  HN      5 LYS  HN      4.50                
  4 SER  HA      5 LYS  HN      3.50                
  4 SER  HA      6 ILE  HN      6.00                
  4 SER  QB      5 LYS  HN      3.50                
  5 LYS  HN      5 LYS  HA      3.50                
  5 LYS  HN      5 LYS  QB      3.50                
  5 LYS  HN      6 ILE  HN      3.50                
  5 LYS  HA      6 ILE  HN      3.50                
  5 LYS  HA      8 SER  HN      6.00                
  5 LYS  QB      6 ILE  HN      4.50                
  6 ILE  HN      6 ILE  HA      3.50                
  6 ILE  HN      6 ILE  HB      3.50                
  6 ILE  HN      6 ILE  QG2     6.00                
  6 ILE  HN      6 ILE  QG1     3.50                
  6 ILE  HN      6 ILE  QD1     6.00                
  6 ILE  HN      7 GLY  HN      3.50                
  6 ILE  HA      7 GLY  HN      3.50                
  6 ILE  HA      9 TRP  HN      4.50                
  6 ILE  HA      9 TRP  HD1     4.50                
  6 ILE  HA     10 ILE  HN      6.00                
  6 ILE  HB      7 GLY  HN      3.50                
  6 ILE  QG2     7 GLY  HN      4.50                
  6 ILE  QD1     7 GLY  HN      6.00                
  7 GLY  HN      7 GLY  QA      3.50                
  7 GLY  HN      8 SER  HN      3.50                
  7 GLY  QA      8 SER  HN      3.50                
  7 GLY  QA      9 TRP  HN      6.00                
  7 GLY  QA     10 ILE  HB      4.50                
  8 SER  HN      8 SER  HA      3.50                
  8 SER  HN      8 SER  QB      3.50                
  8 SER  HN      9 TRP  HN      3.50                
  8 SER  HA      9 TRP  HN      3.50                
  8 SER  HA     11 LEU  HN      3.50                
  8 SER  HA     11 LEU  QB      6.00                
  8 SER  QB      9 TRP  HN      3.50                
  9 TRP  HN      9 TRP  HA      3.50                
  9 TRP  HN      9 TRP  QB      3.50                
  9 TRP  HN      9 TRP  HD1     6.00                
  9 TRP  HN     10 ILE  HN      3.50                
  9 TRP  HN     11 LEU  HN      4.50                
  9 TRP  HA      9 TRP  HD1     6.00                
  9 TRP  HA      9 TRP  HE3     4.50                
  9 TRP  HA     10 ILE  HN      6.00                
  9 TRP  HA     12 VAL  HN      3.50                
  9 TRP  HA     12 VAL  HB      3.50                
  9 TRP  HA     12 VAL  QQG     4.50                
  9 TRP  HA     13 LEU  HN      4.50                
  9 TRP  QB      9 TRP  HD1     3.50                
  9 TRP  QB      9 TRP  HE3     6.00                
  9 TRP  QB     10 ILE  HN      4.50                
  9 TRP  HE3    12 VAL  HB      4.50                
  9 TRP  HE3    12 VAL  QQG     6.00                
  9 TRP  HE3    13 LEU  QQD     6.00                
  9 TRP  HZ3    13 LEU  QQD     6.00                
 10 ILE  HN     10 ILE  HA      3.50                
 10 ILE  HN     10 ILE  HB      3.50                
 10 ILE  HN     10 ILE  QG2     6.00                
 10 ILE  HN     10 ILE  QG1     4.50                
 10 ILE  HN     10 ILE  QD1     6.00                
 10 ILE  HN     11 LEU  HN      3.50                
 10 ILE  HA     10 ILE  QG2     4.50                
 10 ILE  HA     10 ILE  QD1     6.00                
 10 ILE  HA     11 LEU  HN      4.50                
 10 ILE  HA     13 LEU  HN      3.50                
 10 ILE  HA     13 LEU  QB      3.50                
 10 ILE  HA     13 LEU  QQD     4.50                
 10 ILE  HA     14 PHE  HN      4.50                
 10 ILE  HA     14 PHE  HN      6.00                
 10 ILE  HB     11 LEU  HN      4.50                
 10 ILE  QD1    11 LEU  HN      6.00                
 10 ILE  QD1    14 PHE  QD      6.00                
 10 ILE  QD1    14 PHE  QE      6.00                
 10 ILE  QD1    14 PHE  HZ      6.00                
 11 LEU  HN     11 LEU  HA      3.50                
 11 LEU  HN     11 LEU  QB      3.50                
 11 LEU  HN     11 LEU  QQD     6.00                
 11 LEU  HN     12 VAL  HN      3.50                
 11 LEU  HA     14 PHE  HN      3.50                
 11 LEU  HA     15 VAL  HN      4.50                
 11 LEU  HA     15 VAL  QQG     6.00                
 11 LEU  QB     12 VAL  HN      4.50                
 11 LEU  QQD    14 PHE  HN      6.00                
 11 LEU  QQD    14 PHE  QD      6.00                
 11 LEU  QQD    14 PHE  QE      6.00                
 11 LEU  QQD    15 VAL  HN      6.00                
 12 VAL  HN     12 VAL  HA      3.50                
 12 VAL  HN     12 VAL  HB      4.50                
 12 VAL  HN     12 VAL  QQG     4.50                
 12 VAL  HN     13 LEU  HN      3.50                
 12 VAL  HN     14 PHE  HN      6.00                
 12 VAL  HA     12 VAL  QQG     4.50                
 12 VAL  HA     13 LEU  HN      4.50                
 12 VAL  HA     14 PHE  HN      6.00                
 12 VAL  HA     15 VAL  HN      3.50                
 12 VAL  HA     15 VAL  HB      4.50                
 12 VAL  HA     15 VAL  QQG     4.50                
 12 VAL  HA     16 ALA  HN      4.50                
 12 VAL  HB     13 LEU  HN      4.50                
 12 VAL  QQG    13 LEU  HN      6.00                
 13 LEU  HN     13 LEU  HA      3.50                
 13 LEU  HN     13 LEU  QB      3.50                
 13 LEU  HN     13 LEU  HG      3.50                
 13 LEU  HN     14 PHE  HN      3.50                
 13 LEU  HN     15 VAL  HN      4.50                
 13 LEU  HA     13 LEU  QQD     4.50                
 13 LEU  HA     14 PHE  HN      4.50                
 13 LEU  HA     16 ALA  HN      3.50                
 13 LEU  HA     16 ALA  QB      3.50                
 13 LEU  HA     17 MET  HN      4.50                
 13 LEU  QB     14 PHE  HN      3.50                
 13 LEU  HG     14 PHE  HN      4.50                
 13 LEU  QQD    16 ALA  HN      6.00                
 14 PHE  HN     14 PHE  HA      3.50                
 14 PHE  HN     14 PHE  QB      3.50                
 14 PHE  HN     14 PHE  QE      6.00                
 14 PHE  HN     15 VAL  HN      3.50                
 14 PHE  HN     15 VAL  QQG     6.00                
 14 PHE  HA     17 MET  HN      3.50                
 14 PHE  HA     17 MET  QB      3.50                
 14 PHE  HA     18 TRP  HN      4.50                
 14 PHE  HA     18 TRP  HE3     6.00                
 14 PHE  QB     15 VAL  HN      3.50                
 15 VAL  HN     15 VAL  HA      3.50                
 15 VAL  HN     15 VAL  HB      3.50                
 15 VAL  HN     15 VAL  QQG     4.50                
 15 VAL  HN     16 ALA  HN      3.50                
 15 VAL  HA     15 VAL  QQG     4.50                
 15 VAL  HA     16 ALA  HN      6.00                
 15 VAL  HA     18 TRP  HN      3.50                
 15 VAL  HA     19 SER  HN      4.50                
 15 VAL  HB     16 ALA  HN      4.50                
 15 VAL  QQG    16 ALA  HN      6.00                
 15 VAL  QQG    16 ALA  HA      6.00                
 15 VAL  QQG    18 TRP  HE3     6.00                
 16 ALA  HN     16 ALA  HA      3.50                
 16 ALA  HN     16 ALA  QB      3.50                
 16 ALA  HN     17 MET  HN      3.50                
 16 ALA  HN     18 TRP  HN      4.50                
 16 ALA  HA     16 ALA  QB      3.50                
 16 ALA  HA     19 SER  HN      3.50                
 16 ALA  HA     20 ASP  HN      6.00                
 16 ALA  QB     17 MET  HN      3.50                
 17 MET  HN     17 MET  HA      3.50                
 17 MET  HN     17 MET  QB      4.50                
 17 MET  HN     17 MET  QG      6.00                
 17 MET  HN     18 TRP  HN      3.50                
 17 MET  HN     19 SER  HN      6.00                
 17 MET  HA     20 ASP  HN      4.50                
 17 MET  HA     21 VAL  HN      4.50                
 17 MET  QB     18 TRP  HN      6.00                
 17 MET  QG     18 TRP  HN      6.00                
 18 TRP  HN     18 TRP  HA      4.50                
 18 TRP  HN     18 TRP  QB      3.50                
 18 TRP  HN     19 SER  HN      3.50                
 18 TRP  HA     18 TRP  HE3     6.00                
 18 TRP  HA     20 ASP  HN      6.00                
 18 TRP  HA     21 VAL  HN      4.50                
 18 TRP  HA     21 VAL  HB      4.50                
 18 TRP  HA     22 GLY  HN      6.00                
 18 TRP  QB     18 TRP  HE3     4.50                
 18 TRP  QB     19 SER  HN      4.50                
 18 TRP  HE3    19 SER  HA      6.00                
 19 SER  HN     19 SER  HA      3.50                
 19 SER  HN     19 SER  QB      4.50                
 19 SER  HN     20 ASP  HN      3.50                
 19 SER  HA     20 ASP  HN      3.50                
 19 SER  HA     21 VAL  HN      4.50                
 19 SER  HA     22 GLY  HN      4.50                
 19 SER  HA     23 LEU  HN      6.00                
 19 SER  QB     20 ASP  HN      3.50                
 20 ASP  HN     20 ASP  HA      3.50                
 20 ASP  HN     20 ASP  QB      3.50                
 20 ASP  HN     21 VAL  HN      3.50                
 20 ASP  HN     21 VAL  QQG     6.00                
 20 ASP  HA     21 VAL  HN      4.50                
 20 ASP  QB     21 VAL  HN      6.00                
 21 VAL  HN     21 VAL  HA      3.50                
 21 VAL  HN     21 VAL  HB      3.50                
 21 VAL  HN     21 VAL  QQG     4.50                
 21 VAL  HN     22 GLY  HN      3.50                
 21 VAL  HA     21 VAL  QQG     4.50                
 21 VAL  HA     22 GLY  HN      3.50                
 21 VAL  HA     23 LEU  HN      6.00                
 21 VAL  HA     24 CYS  HN      4.50                
 21 VAL  HB     22 GLY  HN      3.50                
 21 VAL  QQG    22 GLY  HN      4.50                
 22 GLY  HN     22 GLY  QA      3.50                
 22 GLY  HN     23 LEU  HN      3.50                
 22 GLY  QA     23 LEU  HN      3.50                
 22 GLY  QA     24 CYS  HN      6.00                
 23 LEU  HN     23 LEU  HA      3.50                
 23 LEU  HN     23 LEU  QB      3.50                
 23 LEU  HN     24 CYS  HN      3.50                
 23 LEU  HA     23 LEU  QQD     4.50                
 23 LEU  HA     24 CYS  HN      4.50                
 23 LEU  HA     26 LYS  HN      4.50                
 23 LEU  QB     24 CYS  HN      4.50                
 23 LEU  QQD    24 CYS  HN      6.00                
 24 CYS  HN     24 CYS  HA      3.50                
 24 CYS  HN     24 CYS  QB      3.50                
 24 CYS  HA     25 LYS  HN      3.50                
 24 CYS  HA     26 LYS  HN      6.00                
 24 CYS  HA     27 ARG  HN      6.00                
 24 CYS  QB     25 LYS  HN      4.50                
 25 LYS  HN     25 LYS  HA      3.50                
 25 LYS  HN     25 LYS  QB      3.50                
 25 LYS  HN     25 LYS  QG      6.00                
 25 LYS  HA     26 LYS  HN      3.50                
 26 LYS  HN     26 LYS  HA      3.50                
 26 LYS  HN     26 LYS  QB      3.50                
 26 LYS  HN     26 LYS  QG      4.50                
 26 LYS  HN     26 LYS  QD      6.00                
 26 LYS  HN     27 ARG  HN      3.50                
 26 LYS  HA     27 ARG  HN      3.50                
 26 LYS  QG     27 ARG  HN      6.00                
 27 ARG  HN     27 ARG  HA      4.50                
 27 ARG  HN     27 ARG  QB      4.50                
 27 ARG  HN     27 ARG  QG      6.00                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           H1       MET   1 -16.707  -1.977  -4.768
    2    HA   MET   1           HA       MET   1 -17.509  -3.713  -3.277
    3   1HB   MET   1          1HB       MET   1 -15.924  -1.946  -1.384
    4   2HB   MET   1          2HB       MET   1 -17.320  -2.790  -0.745
    5   1HG   MET   1          1HG       MET   1 -15.152  -4.244  -2.321
    6   2HG   MET   1          2HG       MET   1 -15.031  -4.006  -0.589
    7   1HE   MET   1          1HE       MET   1 -16.289  -5.544  -3.468
    8   2HE   MET   1          2HE       MET   1 -16.778  -7.145  -2.863
    9   3HE   MET   1          3HE       MET   1 -18.008  -5.895  -3.167
   10    H    VAL   2           H        VAL   2 -17.470  -0.415  -1.747
   11    HA   VAL   2           HA       VAL   2 -20.251  -0.110  -2.627
   12    HB   VAL   2           HB       VAL   2 -19.326   0.773   0.091
   13   1HG1  VAL   2          1HG1      VAL   2 -22.053   0.034  -1.026
   14   2HG1  VAL   2          2HG1      VAL   2 -21.718   0.641   0.613
   15   3HG1  VAL   2          3HG1      VAL   2 -21.430   1.686  -0.799
   16   1HG2  VAL   2          1HG2      VAL   2 -20.554  -1.410   0.855
   17   2HG2  VAL   2          2HG2      VAL   2 -20.120  -2.000  -0.768
   18   3HG2  VAL   2          3HG2      VAL   2 -18.845  -1.482   0.361
   19    H    LYS   3           H        LYS   3 -20.957   2.205  -2.631
   20    HA   LYS   3           HA       LYS   3 -19.059   3.782  -3.933
   21   1HB   LYS   3          1HB       LYS   3 -21.836   3.816  -3.458
   22   2HB   LYS   3          2HB       LYS   3 -21.237   5.327  -2.806
   23   1HG   LYS   3          1HG       LYS   3 -19.818   5.172  -5.179
   24   2HG   LYS   3          2HG       LYS   3 -21.317   4.384  -5.629
   25   1HD   LYS   3          1HD       LYS   3 -21.975   6.728  -4.069
   26   2HD   LYS   3          2HD       LYS   3 -20.816   7.202  -5.294
   27   1HE   LYS   3          1HE       LYS   3 -23.132   5.433  -6.105
   28   2HE   LYS   3          2HE       LYS   3 -23.435   7.137  -5.834
   29   1HZ   LYS   3          1HZ       LYS   3 -21.293   7.331  -7.371
   30   2HZ   LYS   3          2HZ       LYS   3 -21.818   5.891  -7.923
   31    H    SER   4           H        SER   4 -19.675   3.182  -0.551
   32    HA   SER   4           HA       SER   4 -18.543   5.657   0.292
   33   1HB   SER   4          1HB       SER   4 -19.693   3.219   1.588
   34   2HB   SER   4          2HB       SER   4 -18.508   4.096   2.534
   35    HG   SER   4           HG       SER   4 -20.049   6.013   1.585
   36    H    LYS   5           H        LYS   5 -17.433   2.478  -0.659
   37    HA   LYS   5           HA       LYS   5 -14.854   2.922   0.647
   38   1HB   LYS   5          1HB       LYS   5 -16.414   0.673   0.523
   39   2HB   LYS   5          2HB       LYS   5 -15.318   0.400  -0.817
   40   1HG   LYS   5          1HG       LYS   5 -13.721  -0.231   0.662
   41   2HG   LYS   5          2HG       LYS   5 -13.686   1.407   1.283
   42   1HD   LYS   5          1HD       LYS   5 -15.728   0.739   2.739
   43   2HD   LYS   5          2HD       LYS   5 -15.387  -0.917   2.280
   44   1HE   LYS   5          1HE       LYS   5 -12.926  -0.381   3.080
   45   2HE   LYS   5          2HE       LYS   5 -13.661   0.979   3.906
   46   1HZ   LYS   5          1HZ       LYS   5 -14.504  -1.849   4.265
   47   2HZ   LYS   5          2HZ       LYS   5 -13.586  -1.012   5.319
   48    H    ILE   6           H        ILE   6 -15.057   4.823  -1.156
   49    HA   ILE   6           HA       ILE   6 -13.882   3.743  -3.618
   50    HB   ILE   6           HB       ILE   6 -15.502   6.194  -3.009
   51   1HG1  ILE   6          1HG1      ILE   6 -16.589   4.030  -3.669
   52   2HG1  ILE   6          2HG1      ILE   6 -16.952   5.393  -4.709
   53   1HG2  ILE   6          1HG2      ILE   6 -13.378   5.887  -5.059
   54   2HG2  ILE   6          2HG2      ILE   6 -14.922   6.586  -5.602
   55   3HG2  ILE   6          3HG2      ILE   6 -14.020   7.347  -4.269
   56   1HD1  ILE   6          1HD1      ILE   6 -14.557   4.102  -5.698
   57   2HD1  ILE   6          2HD1      ILE   6 -15.824   2.876  -5.456
   58   3HD1  ILE   6          3HD1      ILE   6 -16.134   4.282  -6.502
   59    H    GLY   7           H        GLY   7 -13.314   5.558  -0.690
   60   1HA   GLY   7          1HA       GLY   7 -10.928   6.860  -1.744
   61   2HA   GLY   7          2HA       GLY   7 -11.621   7.027  -0.144
   62    H    SER   8           H        SER   8 -11.055   3.866  -1.736
   63    HA   SER   8           HA       SER   8  -9.041   3.378   0.316
   64   1HB   SER   8          1HB       SER   8 -11.230   2.021   0.323
   65   2HB   SER   8          2HB       SER   8 -10.670   1.272  -1.160
   66    HG   SER   8           HG       SER   8  -8.601   1.102   0.521
   67    H    TRP   9           H        TRP   9  -9.770   3.559  -3.103
   68    HA   TRP   9           HA       TRP   9  -7.667   1.873  -4.002
   69   1HB   TRP   9          1HB       TRP   9  -8.464   2.276  -6.058
   70   2HB   TRP   9          2HB       TRP   9  -9.870   2.816  -5.162
   71    HD1  TRP   9           HD1      TRP   9 -10.373   5.487  -5.175
   72    HE1  TRP   9           HE1      TRP   9  -9.563   7.527  -6.639
   73    HE3  TRP   9           HE3      TRP   9  -6.393   3.096  -7.248
   74    HZ2  TRP   9           HZ2      TRP   9  -7.398   7.904  -8.460
   75    HZ3  TRP   9           HZ3      TRP   9  -4.982   4.372  -8.860
   76    HH2  TRP   9           HH2      TRP   9  -5.430   6.695  -9.474
   77    H    ILE  10           H        ILE  10  -8.117   5.365  -3.261
   78    HA   ILE  10           HA       ILE  10  -5.848   6.400  -4.369
   79    HB   ILE  10           HB       ILE  10  -7.593   7.730  -3.373
   80   1HG1  ILE  10          1HG1      ILE  10  -5.858   9.027  -1.696
   81   2HG1  ILE  10          2HG1      ILE  10  -4.747   8.082  -2.667
   82   1HG2  ILE  10          1HG2      ILE  10  -7.650   7.987  -0.855
   83   2HG2  ILE  10          2HG2      ILE  10  -8.303   6.465  -1.505
   84   3HG2  ILE  10          3HG2      ILE  10  -6.683   6.495  -0.770
   85   1HD1  ILE  10          1HD1      ILE  10  -4.969   9.620  -4.313
   86   2HD1  ILE  10          2HD1      ILE  10  -6.663   9.108  -4.503
   87   3HD1  ILE  10          3HD1      ILE  10  -6.256  10.454  -3.410
   88    H    LEU  11           H        LEU  11  -6.230   4.514  -1.338
   89    HA   LEU  11           HA       LEU  11  -3.583   4.941  -0.460
   90   1HB   LEU  11          1HB       LEU  11  -5.944   3.680   0.456
   91   2HB   LEU  11          2HB       LEU  11  -4.685   2.461   0.471
   92    HG   LEU  11           HG       LEU  11  -4.850   3.565   2.627
   93   1HD1  LEU  11          1HD1      LEU  11  -2.563   2.968   1.359
   94   2HD1  LEU  11          2HD1      LEU  11  -2.285   4.702   1.651
   95   3HD1  LEU  11          3HD1      LEU  11  -2.621   3.611   3.017
   96   1HD2  LEU  11          1HD2      LEU  11  -3.761   6.143   2.106
   97   2HD2  LEU  11          2HD2      LEU  11  -5.183   5.923   1.058
   98   3HD2  LEU  11          3HD2      LEU  11  -5.336   5.718   2.819
   99    H    VAL  12           H        VAL  12  -5.183   2.107  -2.080
  100    HA   VAL  12           HA       VAL  12  -2.807   0.680  -2.417
  101    HB   VAL  12           HB       VAL  12  -5.321   0.594  -4.094
  102   1HG1  VAL  12          1HG1      VAL  12  -2.942  -0.761  -4.455
  103   2HG1  VAL  12          2HG1      VAL  12  -3.913  -1.914  -3.507
  104   3HG1  VAL  12          3HG1      VAL  12  -4.536  -1.281  -5.050
  105   1HG2  VAL  12          1HG2      VAL  12  -6.456  -0.308  -2.392
  106   2HG2  VAL  12          2HG2      VAL  12  -5.119  -1.413  -1.993
  107   3HG2  VAL  12          3HG2      VAL  12  -5.136   0.239  -1.330
  108    H    LEU  13           H        LEU  13  -3.939   3.588  -3.884
  109    HA   LEU  13           HA       LEU  13  -2.735   3.204  -6.429
  110   1HB   LEU  13          1HB       LEU  13  -4.067   4.903  -6.838
  111   2HB   LEU  13          2HB       LEU  13  -4.402   5.104  -5.129
  112    HG   LEU  13           HG       LEU  13  -2.458   6.592  -4.902
  113   1HD1  LEU  13          1HD1      LEU  13  -1.619   5.419  -7.309
  114   2HD1  LEU  13          2HD1      LEU  13  -1.961   7.122  -7.698
  115   3HD1  LEU  13          3HD1      LEU  13  -0.820   6.720  -6.393
  116   1HD2  LEU  13          1HD2      LEU  13  -4.878   7.132  -6.321
  117   2HD2  LEU  13          2HD2      LEU  13  -3.916   8.216  -5.287
  118   3HD2  LEU  13          3HD2      LEU  13  -3.572   8.112  -7.031
  119    H    PHE  14           H        PHE  14  -1.814   5.072  -3.453
  120    HA   PHE  14           HA       PHE  14   0.617   5.968  -4.391
  121   1HB   PHE  14          1HB       PHE  14  -0.248   5.037  -1.586
  122   2HB   PHE  14          2HB       PHE  14   1.101   6.111  -1.895
  123    HD1  PHE  14           HD1      PHE  14  -0.130   7.874  -3.983
  124    HD2  PHE  14           HD2      PHE  14  -1.683   6.386  -0.326
  125    HE1  PHE  14           HE1      PHE  14  -1.670   9.851  -3.833
  126    HE2  PHE  14           HE2      PHE  14  -3.222   8.363  -0.176
  127    HZ   PHE  14           HZ       PHE  14  -3.198  10.072  -1.931
  128    H    VAL  15           H        VAL  15  -0.147   2.957  -2.509
  129    HA   VAL  15           HA       VAL  15   2.502   2.061  -2.407
  130    HB   VAL  15           HB       VAL  15   1.531  -0.044  -1.730
  131   1HG1  VAL  15          1HG1      VAL  15   0.182   2.442  -0.658
  132   2HG1  VAL  15          2HG1      VAL  15  -0.078   0.834   0.060
  133   3HG1  VAL  15          3HG1      VAL  15   1.557   1.538   0.022
  134   1HG2  VAL  15          1HG2      VAL  15  -0.943   1.062  -3.030
  135   2HG2  VAL  15          2HG2      VAL  15  -0.221  -0.561  -3.150
  136   3HG2  VAL  15          3HG2      VAL  15  -1.094  -0.081  -1.674
  137    H    ALA  16           H        ALA  16   0.120   2.158  -4.972
  138    HA   ALA  16           HA       ALA  16   1.313   0.021  -6.472
  139   1HB   ALA  16          1HB       ALA  16  -0.890   0.175  -7.064
  140   2HB   ALA  16          2HB       ALA  16  -0.972   1.919  -6.716
  141   3HB   ALA  16          3HB       ALA  16  -0.258   1.349  -8.243
  142    H    MET  17           H        MET  17   1.291   3.637  -6.509
  143    HA   MET  17           HA       MET  17   2.791   3.912  -8.805
  144   1HB   MET  17          1HB       MET  17   1.721   5.550  -6.690
  145   2HB   MET  17          2HB       MET  17   3.415   5.980  -6.829
  146   1HG   MET  17          1HG       MET  17   3.069   6.254  -9.341
  147   2HG   MET  17          2HG       MET  17   1.356   5.989  -9.089
  148   1HE   MET  17          1HE       MET  17   3.266   9.153  -9.925
  149   2HE   MET  17          2HE       MET  17   3.907   9.578  -8.320
  150   3HE   MET  17          3HE       MET  17   4.281   7.993  -9.037
  151    H    TRP  18           H        TRP  18   3.755   3.393  -5.385
  152    HA   TRP  18           HA       TRP  18   6.513   3.888  -5.846
  153   1HB   TRP  18          1HB       TRP  18   5.256   2.304  -3.603
  154   2HB   TRP  18          2HB       TRP  18   6.834   3.066  -3.619
  155    HD1  TRP  18           HD1      TRP  18   5.850   5.968  -4.765
  156    HE1  TRP  18           HE1      TRP  18   4.530   7.661  -3.231
  157    HE3  TRP  18           HE3      TRP  18   4.222   2.492  -1.429
  158    HZ2  TRP  18           HZ2      TRP  18   2.990   7.364  -0.848
  159    HZ3  TRP  18           HZ3      TRP  18   2.816   3.278   0.472
  160    HH2  TRP  18           HH2      TRP  18   2.196   5.620   0.793
  161    H    SER  19           H        SER  19   4.486   0.899  -5.393
  162    HA   SER  19           HA       SER  19   6.494  -0.905  -5.784
  163   1HB   SER  19          1HB       SER  19   3.524  -1.049  -6.439
  164   2HB   SER  19          2HB       SER  19   4.582  -2.439  -6.574
  165    HG   SER  19           HG       SER  19   4.645  -0.972  -4.129
  166    H    ASP  20           H        ASP  20   4.939   1.253  -8.056
  167    HA   ASP  20           HA       ASP  20   5.410  -0.304 -10.352
  168   1HB   ASP  20          1HB       ASP  20   4.410   2.390  -9.675
  169   2HB   ASP  20          2HB       ASP  20   5.354   2.395 -11.151
  170    HD2  ASP  20           HD2      ASP  20   3.192   0.295 -12.854
  171    H    VAL  21           H        VAL  21   7.042   2.468  -8.673
  172    HA   VAL  21           HA       VAL  21   9.098   2.773 -10.569
  173    HB   VAL  21           HB       VAL  21   8.891   3.517  -7.645
  174   1HG1  VAL  21          1HG1      VAL  21  10.764   4.963  -7.926
  175   2HG1  VAL  21          2HG1      VAL  21  11.253   3.372  -8.552
  176   3HG1  VAL  21          3HG1      VAL  21  10.814   4.675  -9.681
  177   1HG2  VAL  21          1HG2      VAL  21   8.746   5.584  -9.762
  178   2HG2  VAL  21          2HG2      VAL  21   7.373   4.453  -9.699
  179   3HG2  VAL  21          3HG2      VAL  21   7.808   5.406  -8.260
  180    H    GLY  22           H        GLY  22   8.477   0.455  -8.008
  181   1HA   GLY  22          1HA       GLY  22  11.278  -0.407  -7.956
  182   2HA   GLY  22          2HA       GLY  22   9.986  -0.926  -6.890
  183    H    LEU  23           H        LEU  23  10.072  -0.739 -10.512
  184    HA   LEU  23           HA       LEU  23   9.847  -3.660 -10.553
  185   1HB   LEU  23          1HB       LEU  23   7.650  -2.265 -10.823
  186   2HB   LEU  23          2HB       LEU  23   8.253  -1.968 -12.441
  187    HG   LEU  23           HG       LEU  23   6.701  -3.821 -12.453
  188   1HD1  LEU  23          1HD1      LEU  23   9.570  -4.673 -12.913
  189   2HD1  LEU  23          2HD1      LEU  23   8.143  -5.584 -13.464
  190   3HD1  LEU  23          3HD1      LEU  23   8.449  -3.946 -14.089
  191   1HD2  LEU  23          1HD2      LEU  23   6.521  -5.062 -10.613
  192   2HD2  LEU  23          2HD2      LEU  23   7.945  -5.958 -11.196
  193   3HD2  LEU  23          3HD2      LEU  23   8.148  -4.611 -10.051
  194    H    CYS  24           H        CYS  24  10.199  -0.720 -12.666
  195    HA   CYS  24           HA       CYS  24  12.163  -2.248 -14.192
  196   1HB   CYS  24          1HB       CYS  24  11.858  -0.443 -15.912
  197   2HB   CYS  24          2HB       CYS  24  10.431  -1.414 -15.605
  198    HG   CYS  24           HG       CYS  24  11.195   1.669 -14.841
  199    H    LYS  25           H        LYS  25  13.718  -1.931 -12.341
  200    HA   LYS  25           HA       LYS  25  15.614  -0.085 -12.803
  201   1HB   LYS  25          1HB       LYS  25  13.333   1.216 -11.579
  202   2HB   LYS  25          2HB       LYS  25  14.732   1.329 -10.529
  203   1HG   LYS  25          1HG       LYS  25  15.922   1.886 -12.928
  204   2HG   LYS  25          2HG       LYS  25  14.308   2.480 -13.263
  205   1HD   LYS  25          1HD       LYS  25  14.453   4.192 -11.704
  206   2HD   LYS  25          2HD       LYS  25  15.459   3.263 -10.610
  207   1HE   LYS  25          1HE       LYS  25  17.235   4.452 -11.382
  208   2HE   LYS  25          2HE       LYS  25  17.083   3.569 -12.887
  209   1HZ   LYS  25          1HZ       LYS  25  16.302   5.408 -13.900
  210   2HZ   LYS  25          2HZ       LYS  25  15.201   5.720 -12.741
  211    H    LYS  26           H        LYS  26  13.694  -1.920 -10.447
  212    HA   LYS  26           HA       LYS  26  15.828  -2.117  -8.562
  213   1HB   LYS  26          1HB       LYS  26  13.078  -2.538  -8.535
  214   2HB   LYS  26          2HB       LYS  26  13.737  -4.156  -8.397
  215   1HG   LYS  26          1HG       LYS  26  15.258  -3.306  -6.538
  216   2HG   LYS  26          2HG       LYS  26  14.425  -1.767  -6.623
  217   1HD   LYS  26          1HD       LYS  26  12.811  -2.573  -5.254
  218   2HD   LYS  26          2HD       LYS  26  12.382  -3.761  -6.469
  219   1HE   LYS  26          1HE       LYS  26  14.487  -5.083  -5.513
  220   2HE   LYS  26          2HE       LYS  26  14.256  -4.061  -4.108
  221   1HZ   LYS  26          1HZ       LYS  26  12.878  -6.354  -4.610
  222   2HZ   LYS  26          2HZ       LYS  26  12.419  -5.219  -3.537
  223    H    ARG  27           H        ARG  27  14.923  -3.691 -11.552
  224    HA   ARG  27           HA       ARG  27  15.823  -5.285 -12.695
  225   1HB   ARG  27          1HB       ARG  27  18.094  -4.670 -10.796
  226   2HB   ARG  27          2HB       ARG  27  18.238  -6.092 -11.809
  227   1HG   ARG  27          1HG       ARG  27  18.315  -4.855 -13.795
  228   2HG   ARG  27          2HG       ARG  27  17.365  -3.536 -13.140
  229   1HD   ARG  27          1HD       ARG  27  20.010  -3.983 -11.814
  230   2HD   ARG  27          2HD       ARG  27  20.089  -3.435 -13.477
  231    HE   ARG  27           HE       ARG  27  18.166  -1.880 -11.959
  232   1HH1  ARG  27          1HH1      ARG  27  21.638  -2.245 -12.563
  233   2HH1  ARG  27          2HH1      ARG  27  22.008  -0.604 -12.151
  234   1HH2  ARG  27          1HH2      ARG  27  20.239   0.866 -11.479
  235    HA   PRO  28           HA       PRO  28  14.846  -8.988 -10.609
  236   1HB   PRO  28          1HB       PRO  28  15.707 -10.881 -12.383
  237   2HB   PRO  28          2HB       PRO  28  14.193 -10.019 -12.562
  238   1HG   PRO  28          1HG       PRO  28  16.722  -9.651 -14.047
  239   2HG   PRO  28          2HG       PRO  28  15.109  -9.120 -14.478
  240   1HD   PRO  28          1HD       PRO  28  17.225  -7.496 -13.424
  241   2HD   PRO  28          2HD       PRO  28  15.578  -6.991 -13.747
  242    H    LYS  29           H        LYS  29  15.652 -11.135  -9.731
  243    HA   LYS  29           HA       LYS  29  18.147 -10.512  -8.473
  244   1HB   LYS  29          1HB       LYS  29  15.861 -12.057  -7.871
  245   2HB   LYS  29          2HB       LYS  29  17.188 -13.196  -7.979
  246   1HG   LYS  29          1HG       LYS  29  18.495 -11.392  -6.530
  247   2HG   LYS  29          2HG       LYS  29  16.890 -10.809  -6.136
  248   1HD   LYS  29          1HD       LYS  29  16.367 -13.343  -5.596
  249   2HD   LYS  29          2HD       LYS  29  18.108 -13.522  -5.534
  250   1HE   LYS  29          1HE       LYS  29  17.500 -13.035  -3.284
  251   2HE   LYS  29          2HE       LYS  29  18.114 -11.512  -3.897
  252   1HZ   LYS  29          1HZ       LYS  29  15.318 -11.765  -4.413
  253   2HZ   LYS  29          2HZ       LYS  29  15.617 -11.923  -2.820
  254    HA   PRO  30           HA       PRO  30  19.521 -14.176 -11.105
  255   1HB   PRO  30          1HB       PRO  30  17.821 -15.315 -12.917
  256   2HB   PRO  30          2HB       PRO  30  18.050 -15.938 -11.295
  257   1HG   PRO  30          1HG       PRO  30  15.769 -14.408 -12.389
  258   2HG   PRO  30          2HG       PRO  30  15.838 -15.388 -10.938
  259   1HD   PRO  30          1HD       PRO  30  15.903 -12.524 -11.078
  260   2HD   PRO  30          2HD       PRO  30  16.089 -13.507  -9.640
  Start of MODEL    2
    1   1H    MET   1           H1       MET   1 -17.708   2.413   3.374
    2    HA   MET   1           HA       MET   1 -19.949   3.423   3.419
    3   1HB   MET   1          1HB       MET   1 -18.361   5.647   2.568
    4   2HB   MET   1          2HB       MET   1 -19.346   5.232   1.180
    5   1HG   MET   1          1HG       MET   1 -20.716   5.347   3.863
    6   2HG   MET   1          2HG       MET   1 -20.244   6.868   3.134
    7   1HE   MET   1          1HE       MET   1 -23.730   4.797   3.007
    8   2HE   MET   1          2HE       MET   1 -23.022   3.647   1.847
    9   3HE   MET   1          3HE       MET   1 -22.198   3.977   3.391
   10    H    VAL   2           H        VAL   2 -17.583   3.298   0.673
   11    HA   VAL   2           HA       VAL   2 -19.505   1.559  -0.715
   12    HB   VAL   2           HB       VAL   2 -18.396   2.297  -2.782
   13   1HG1  VAL   2          1HG1      VAL   2 -20.432   3.445  -1.748
   14   2HG1  VAL   2          2HG1      VAL   2 -19.311   4.729  -1.231
   15   3HG1  VAL   2          3HG1      VAL   2 -19.518   4.372  -2.963
   16   1HG2  VAL   2          1HG2      VAL   2 -17.128   4.693  -1.841
   17   2HG2  VAL   2          2HG2      VAL   2 -16.425   3.296  -0.992
   18   3HG2  VAL   2          3HG2      VAL   2 -16.431   3.346  -2.771
   19    H    LYS   3           H        LYS   3 -18.729  -0.391  -1.634
   20    HA   LYS   3           HA       LYS   3 -16.706  -1.647  -0.189
   21   1HB   LYS   3          1HB       LYS   3 -18.663  -2.708  -1.379
   22   2HB   LYS   3          2HB       LYS   3 -17.806  -2.473  -2.888
   23   1HG   LYS   3          1HG       LYS   3 -16.102  -4.007  -2.329
   24   2HG   LYS   3          2HG       LYS   3 -16.364  -3.832  -0.604
   25   1HD   LYS   3          1HD       LYS   3 -18.774  -4.841  -1.952
   26   2HD   LYS   3          2HD       LYS   3 -17.391  -5.871  -2.267
   27   1HE   LYS   3          1HE       LYS   3 -17.330  -6.644  -0.118
   28   2HE   LYS   3          2HE       LYS   3 -17.513  -5.037   0.558
   29   1HZ   LYS   3          1HZ       LYS   3 -19.445  -6.444   1.043
   30   2HZ   LYS   3          2HZ       LYS   3 -19.906  -5.182   0.124
   31    H    SER   4           H        SER   4 -16.614   0.515  -2.933
   32    HA   SER   4           HA       SER   4 -14.149  -0.431  -3.931
   33   1HB   SER   4          1HB       SER   4 -15.994   0.976  -5.124
   34   2HB   SER   4          2HB       SER   4 -15.265   2.364  -4.342
   35    HG   SER   4           HG       SER   4 -14.406   1.975  -6.497
   36    H    LYS   5           H        LYS   5 -15.170   1.613  -1.282
   37    HA   LYS   5           HA       LYS   5 -14.102   3.003   0.086
   38   1HB   LYS   5          1HB       LYS   5 -12.792   0.482   0.016
   39   2HB   LYS   5          2HB       LYS   5 -11.541   1.696   0.187
   40   1HG   LYS   5          1HG       LYS   5 -12.293   2.393   2.266
   41   2HG   LYS   5          2HG       LYS   5 -13.979   2.113   1.874
   42   1HD   LYS   5          1HD       LYS   5 -13.826  -0.229   2.312
   43   2HD   LYS   5          2HD       LYS   5 -12.077  -0.234   2.185
   44   1HE   LYS   5          1HE       LYS   5 -12.000   1.250   4.264
   45   2HE   LYS   5          2HE       LYS   5 -13.731   1.025   4.424
   46   1HZ   LYS   5          1HZ       LYS   5 -11.781  -0.689   5.351
   47   2HZ   LYS   5          2HZ       LYS   5 -13.379  -0.997   5.311
   48    H    ILE   6           H        ILE   6 -14.106   4.834  -1.351
   49    HA   ILE   6           HA       ILE   6 -12.177   5.308  -3.275
   50    HB   ILE   6           HB       ILE   6 -13.920   7.092  -1.598
   51   1HG1  ILE   6          1HG1      ILE   6 -14.186   7.022  -4.530
   52   2HG1  ILE   6          2HG1      ILE   6 -14.471   5.475  -3.756
   53   1HG2  ILE   6          1HG2      ILE   6 -11.656   7.854  -3.355
   54   2HG2  ILE   6          2HG2      ILE   6 -13.177   8.749  -3.586
   55   3HG2  ILE   6          3HG2      ILE   6 -12.399   8.716  -1.985
   56   1HD1  ILE   6          1HD1      ILE   6 -16.003   8.043  -3.501
   57   2HD1  ILE   6          2HD1      ILE   6 -16.597   6.367  -3.550
   58   3HD1  ILE   6          3HD1      ILE   6 -15.892   7.018  -2.051
   59    H    GLY   7           H        GLY   7 -11.965   5.301   0.219
   60   1HA   GLY   7          1HA       GLY   7  -9.688   7.033   0.409
   61   2HA   GLY   7          2HA       GLY   7 -10.353   5.993   1.653
   62    H    SER   8           H        SER   8 -10.128   3.459   0.971
   63    HA   SER   8           HA       SER   8  -7.446   2.926   1.134
   64   1HB   SER   8          1HB       SER   8  -9.544   1.451   1.659
   65   2HB   SER   8          2HB       SER   8  -9.446   0.956  -0.019
   66    HG   SER   8           HG       SER   8  -7.143   0.818   1.710
   67    H    TRP   9           H        TRP   9  -9.449   3.681  -1.630
   68    HA   TRP   9           HA       TRP   9  -8.071   2.303  -3.631
   69   1HB   TRP   9          1HB       TRP   9 -10.307   3.805  -3.529
   70   2HB   TRP   9          2HB       TRP   9  -9.211   4.966  -4.253
   71    HD1  TRP   9           HD1      TRP   9 -11.448   2.195  -5.246
   72    HE1  TRP   9           HE1      TRP   9 -11.096   1.394  -7.736
   73    HE3  TRP   9           HE3      TRP   9  -7.009   4.577  -5.940
   74    HZ2  TRP   9           HZ2      TRP   9  -9.046   1.835  -9.672
   75    HZ3  TRP   9           HZ3      TRP   9  -5.899   4.340  -8.159
   76    HH2  TRP   9           HH2      TRP   9  -6.847   3.026  -9.989
   77    H    ILE  10           H        ILE  10  -7.857   5.813  -2.671
   78    HA   ILE  10           HA       ILE  10  -5.738   6.553  -4.147
   79    HB   ILE  10           HB       ILE  10  -6.710   7.319  -1.430
   80   1HG1  ILE  10          1HG1      ILE  10  -7.743   7.981  -3.707
   81   2HG1  ILE  10          2HG1      ILE  10  -7.527   9.214  -2.480
   82   1HG2  ILE  10          1HG2      ILE  10  -4.366   7.580  -1.102
   83   2HG2  ILE  10          2HG2      ILE  10  -4.155   8.315  -2.709
   84   3HG2  ILE  10          3HG2      ILE  10  -5.038   9.193  -1.437
   85   1HD1  ILE  10          1HD1      ILE  10  -6.680   9.531  -5.033
   86   2HD1  ILE  10          2HD1      ILE  10  -5.858  10.298  -3.653
   87   3HD1  ILE  10          3HD1      ILE  10  -5.217   8.788  -4.342
   88    H    LEU  11           H        LEU  11  -5.520   5.069  -0.836
   89    HA   LEU  11           HA       LEU  11  -2.780   4.955  -0.705
   90   1HB   LEU  11          1HB       LEU  11  -5.066   3.706   0.616
   91   2HB   LEU  11          2HB       LEU  11  -3.648   2.675   0.596
   92    HG   LEU  11           HG       LEU  11  -3.757   3.987   2.642
   93   1HD1  LEU  11          1HD1      LEU  11  -1.501   4.918   2.631
   94   2HD1  LEU  11          2HD1      LEU  11  -1.558   3.370   1.754
   95   3HD1  LEU  11          3HD1      LEU  11  -1.489   4.902   0.851
   96   1HD2  LEU  11          1HD2      LEU  11  -3.856   6.345   0.763
   97   2HD2  LEU  11          2HD2      LEU  11  -4.962   5.921   2.092
   98   3HD2  LEU  11          3HD2      LEU  11  -3.319   6.501   2.453
   99    H    VAL  12           H        VAL  12  -5.052   2.374  -1.887
  100    HA   VAL  12           HA       VAL  12  -3.132   0.566  -2.651
  101    HB   VAL  12           HB       VAL  12  -5.876   1.208  -3.725
  102   1HG1  VAL  12          1HG1      VAL  12  -5.873  -0.848  -4.967
  103   2HG1  VAL  12          2HG1      VAL  12  -4.451   0.096  -5.470
  104   3HG1  VAL  12          3HG1      VAL  12  -4.258  -1.279  -4.356
  105   1HG2  VAL  12          1HG2      VAL  12  -5.570  -1.358  -2.435
  106   2HG2  VAL  12          2HG2      VAL  12  -4.959  -0.064  -1.376
  107   3HG2  VAL  12          3HG2      VAL  12  -6.625   0.008  -2.000
  108    H    LEU  13           H        LEU  13  -4.135   3.617  -4.152
  109    HA   LEU  13           HA       LEU  13  -3.017   3.065  -6.692
  110   1HB   LEU  13          1HB       LEU  13  -4.231   4.841  -7.137
  111   2HB   LEU  13          2HB       LEU  13  -4.517   5.113  -5.430
  112    HG   LEU  13           HG       LEU  13  -2.442   6.458  -5.300
  113   1HD1  LEU  13          1HD1      LEU  13  -2.112   5.450  -8.050
  114   2HD1  LEU  13          2HD1      LEU  13  -1.777   7.186  -7.839
  115   3HD1  LEU  13          3HD1      LEU  13  -0.901   5.985  -6.861
  116   1HD2  LEU  13          1HD2      LEU  13  -3.317   8.426  -6.336
  117   2HD2  LEU  13          2HD2      LEU  13  -4.280   7.464  -7.484
  118   3HD2  LEU  13          3HD2      LEU  13  -4.692   7.457  -5.752
  119    H    PHE  14           H        PHE  14  -1.866   4.996  -3.838
  120    HA   PHE  14           HA       PHE  14   0.588   5.672  -4.900
  121   1HB   PHE  14          1HB       PHE  14  -0.314   4.978  -2.039
  122   2HB   PHE  14          2HB       PHE  14   1.170   5.840  -2.397
  123    HD1  PHE  14           HD1      PHE  14   0.098   7.607  -4.618
  124    HD2  PHE  14           HD2      PHE  14  -1.459   6.618  -0.797
  125    HE1  PHE  14           HE1      PHE  14  -1.153   9.782  -4.565
  126    HE2  PHE  14           HE2      PHE  14  -2.709   8.793  -0.743
  127    HZ   PHE  14           HZ       PHE  14  -2.541  10.350  -2.628
  128    H    VAL  15           H        VAL  15  -0.422   2.740  -3.045
  129    HA   VAL  15           HA       VAL  15   2.124   1.660  -2.739
  130    HB   VAL  15           HB       VAL  15  -0.517   0.220  -3.054
  131   1HG1  VAL  15          1HG1      VAL  15   0.578  -1.418  -1.476
  132   2HG1  VAL  15          2HG1      VAL  15   1.285  -1.354  -3.109
  133   3HG1  VAL  15          3HG1      VAL  15   2.109  -0.553  -1.749
  134   1HG2  VAL  15          1HG2      VAL  15   0.222   2.169  -1.131
  135   2HG2  VAL  15          2HG2      VAL  15  -1.208   1.108  -1.130
  136   3HG2  VAL  15          3HG2      VAL  15   0.285   0.587  -0.315
  137    H    ALA  16           H        ALA  16  -0.002   1.944  -5.531
  138    HA   ALA  16           HA       ALA  16   1.286  -0.158  -6.998
  139   1HB   ALA  16          1HB       ALA  16  -0.180   0.547  -8.794
  140   2HB   ALA  16          2HB       ALA  16  -1.112   0.558  -7.277
  141   3HB   ALA  16          3HB       ALA  16  -0.523   2.087  -7.971
  142    H    MET  17           H        MET  17   1.225   3.474  -7.126
  143    HA   MET  17           HA       MET  17   3.349   3.461  -9.017
  144   1HB   MET  17          1HB       MET  17   1.484   5.390  -7.749
  145   2HB   MET  17          2HB       MET  17   3.087   6.067  -7.949
  146   1HG   MET  17          1HG       MET  17   3.062   5.536 -10.362
  147   2HG   MET  17          2HG       MET  17   1.528   4.705 -10.200
  148   1HE   MET  17          1HE       MET  17   2.901   8.743  -9.578
  149   2HE   MET  17          2HE       MET  17   3.495   7.526 -10.733
  150   3HE   MET  17          3HE       MET  17   2.359   8.784 -11.273
  151    H    TRP  18           H        TRP  18   3.381   2.642  -5.854
  152    HA   TRP  18           HA       TRP  18   5.807   4.163  -5.223
  153   1HB   TRP  18          1HB       TRP  18   4.090   4.362  -3.560
  154   2HB   TRP  18          2HB       TRP  18   3.872   2.625  -3.488
  155    HD1  TRP  18           HD1      TRP  18   7.352   4.358  -3.359
  156    HE1  TRP  18           HE1      TRP  18   8.577   3.828  -1.082
  157    HE3  TRP  18           HE3      TRP  18   3.451   1.888  -1.229
  158    HZ2  TRP  18           HZ2      TRP  18   7.794   2.465   1.300
  159    HZ3  TRP  18           HZ3      TRP  18   3.765   0.989   1.075
  160    HH2  TRP  18           HH2      TRP  18   5.844   1.246   2.334
  161    H    SER  19           H        SER  19   4.458   1.041  -6.129
  162    HA   SER  19           HA       SER  19   7.051  -0.166  -5.567
  163   1HB   SER  19          1HB       SER  19   4.332  -1.073  -5.110
  164   2HB   SER  19          2HB       SER  19   5.130  -2.183  -6.206
  165    HG   SER  19           HG       SER  19   6.004  -3.004  -4.432
  166    H    ASP  20           H        ASP  20   4.839   0.944  -7.989
  167    HA   ASP  20           HA       ASP  20   5.718  -0.885  -9.991
  168   1HB   ASP  20          1HB       ASP  20   3.442   0.060 -10.066
  169   2HB   ASP  20          2HB       ASP  20   4.082   1.691 -10.099
  170    HD2  ASP  20           HD2      ASP  20   5.204   2.173 -12.516
  171    H    VAL  21           H        VAL  21   7.325   1.452  -8.377
  172    HA   VAL  21           HA       VAL  21   8.559   2.615 -10.776
  173    HB   VAL  21           HB       VAL  21   8.259   3.593  -7.941
  174   1HG1  VAL  21          1HG1      VAL  21   9.565   5.617  -9.288
  175   2HG1  VAL  21          2HG1      VAL  21  10.306   4.499  -8.118
  176   3HG1  VAL  21          3HG1      VAL  21  10.406   4.157  -9.862
  177   1HG2  VAL  21          1HG2      VAL  21   6.375   4.271  -9.106
  178   2HG2  VAL  21          2HG2      VAL  21   7.466   5.657  -9.351
  179   3HG2  VAL  21          3HG2      VAL  21   7.256   4.450 -10.642
  180    H    GLY  22           H        GLY  22   9.998   2.622  -7.529
  181   1HA   GLY  22          1HA       GLY  22  12.500   1.887  -8.169
  182   2HA   GLY  22          2HA       GLY  22  11.735   1.462  -6.650
  183    H    LEU  23           H        LEU  23  10.251  -0.573  -6.730
  184    HA   LEU  23           HA       LEU  23  11.715  -2.771  -7.318
  185   1HB   LEU  23          1HB       LEU  23   8.818  -2.227  -6.921
  186   2HB   LEU  23          2HB       LEU  23   9.263  -3.801  -7.552
  187    HG   LEU  23           HG       LEU  23  10.554  -2.704  -5.056
  188   1HD1  LEU  23          1HD1      LEU  23   8.328  -4.593  -4.661
  189   2HD1  LEU  23          2HD1      LEU  23   8.804  -3.156  -3.726
  190   3HD1  LEU  23          3HD1      LEU  23   7.844  -2.972  -5.213
  191   1HD2  LEU  23          1HD2      LEU  23  11.564  -4.662  -6.217
  192   2HD2  LEU  23          2HD2      LEU  23  11.023  -5.006  -4.557
  193   3HD2  LEU  23          3HD2      LEU  23  10.051  -5.556  -5.942
  194    H    CYS  24           H        CYS  24   9.905  -0.710  -9.533
  195    HA   CYS  24           HA       CYS  24   9.713  -2.610 -11.610
  196   1HB   CYS  24          1HB       CYS  24   8.622  -0.136 -11.143
  197   2HB   CYS  24          2HB       CYS  24   9.803   0.242 -12.381
  198    HG   CYS  24           HG       CYS  24   7.151  -1.647 -12.375
  199    H    LYS  25           H        LYS  25  12.144  -3.255 -10.998
  200    HA   LYS  25           HA       LYS  25  13.734  -2.439 -13.169
  201   1HB   LYS  25          1HB       LYS  25  14.084  -0.398 -11.922
  202   2HB   LYS  25          2HB       LYS  25  14.480  -1.288 -10.466
  203   1HG   LYS  25          1HG       LYS  25  16.270  -2.396 -12.260
  204   2HG   LYS  25          2HG       LYS  25  16.151  -0.759 -12.876
  205   1HD   LYS  25          1HD       LYS  25  16.623  -1.330  -9.921
  206   2HD   LYS  25          2HD       LYS  25  17.949  -1.216 -11.061
  207   1HE   LYS  25          1HE       LYS  25  17.809   1.063 -11.170
  208   2HE   LYS  25          2HE       LYS  25  16.065   1.036 -11.344
  209   1HZ   LYS  25          1HZ       LYS  25  16.290   0.340  -8.783
  210   2HZ   LYS  25          2HZ       LYS  25  17.643   1.238  -8.905
  211    H    LYS  26           H        LYS  26  15.287  -3.053 -10.051
  212    HA   LYS  26           HA       LYS  26  16.594  -5.301 -10.872
  213   1HB   LYS  26          1HB       LYS  26  17.243  -4.052  -8.910
  214   2HB   LYS  26          2HB       LYS  26  15.745  -4.446  -8.092
  215   1HG   LYS  26          1HG       LYS  26  16.965  -6.916  -8.982
  216   2HG   LYS  26          2HG       LYS  26  18.186  -5.969  -8.156
  217   1HD   LYS  26          1HD       LYS  26  15.513  -6.041  -6.818
  218   2HD   LYS  26          2HD       LYS  26  16.360  -7.575  -6.875
  219   1HE   LYS  26          1HE       LYS  26  18.180  -6.780  -5.593
  220   2HE   LYS  26          2HE       LYS  26  17.885  -5.106  -6.017
  221   1HZ   LYS  26          1HZ       LYS  26  16.551  -4.902  -4.234
  222   2HZ   LYS  26          2HZ       LYS  26  15.639  -6.186  -4.646
  223    H    ARG  27           H        ARG  27  13.225  -4.914  -9.978
  224    HA   ARG  27           HA       ARG  27  11.626  -6.351  -9.556
  225   1HB   ARG  27          1HB       ARG  27  13.018  -7.570 -11.980
  226   2HB   ARG  27          2HB       ARG  27  11.500  -8.212 -11.386
  227   1HG   ARG  27          1HG       ARG  27  10.901  -5.526 -11.471
  228   2HG   ARG  27          2HG       ARG  27  12.051  -5.633 -12.788
  229   1HD   ARG  27          1HD       ARG  27  10.118  -6.178 -13.956
  230   2HD   ARG  27          2HD       ARG  27  10.587  -7.788 -13.449
  231    HE   ARG  27           HE       ARG  27   8.902  -6.414 -11.487
  232   1HH1  ARG  27          1HH1      ARG  27   8.884  -8.437 -14.395
  233   2HH1  ARG  27          2HH1      ARG  27   7.294  -9.058 -14.105
  234   1HH2  ARG  27          1HH2      ARG  27   6.088  -8.336 -12.163
  235    HA   PRO  28           HA       PRO  28  13.981  -9.427  -7.227
  236   1HB   PRO  28          1HB       PRO  28  12.787  -9.001  -4.805
  237   2HB   PRO  28          2HB       PRO  28  14.256  -8.189  -5.306
  238   1HG   PRO  28          1HG       PRO  28  11.506  -7.116  -5.151
  239   2HG   PRO  28          2HG       PRO  28  13.023  -6.241  -5.229
  240   1HD   PRO  28          1HD       PRO  28  11.154  -6.633  -7.370
  241   2HD   PRO  28          2HD       PRO  28  12.723  -5.860  -7.476
  242    H    LYS  29           H        LYS  29  13.560 -11.563  -6.767
  243    HA   LYS  29           HA       LYS  29  10.693 -12.186  -6.854
  244   1HB   LYS  29          1HB       LYS  29  11.118 -14.063  -8.304
  245   2HB   LYS  29          2HB       LYS  29  11.731 -12.606  -9.059
  246   1HG   LYS  29          1HG       LYS  29  13.841 -13.439  -9.118
  247   2HG   LYS  29          2HG       LYS  29  13.816 -13.774  -7.398
  248   1HD   LYS  29          1HD       LYS  29  12.515 -15.900  -7.886
  249   2HD   LYS  29          2HD       LYS  29  12.703 -15.578  -9.598
  250   1HE   LYS  29          1HE       LYS  29  15.273 -15.407  -8.161
  251   2HE   LYS  29          2HE       LYS  29  14.516 -16.975  -7.963
  252   1HZ   LYS  29          1HZ       LYS  29  14.419 -15.987 -10.674
  253   2HZ   LYS  29          2HZ       LYS  29  15.936 -16.238 -10.140
  254    HA   PRO  30           HA       PRO  30  11.557 -14.590  -3.377
  255   1HB   PRO  30          1HB       PRO  30   9.591 -16.486  -3.477
  256   2HB   PRO  30          2HB       PRO  30   9.319 -14.853  -2.900
  257   1HG   PRO  30          1HG       PRO  30   8.525 -16.065  -5.477
  258   2HG   PRO  30          2HG       PRO  30   7.913 -14.611  -4.712
  259   1HD   PRO  30          1HD       PRO  30   9.746 -14.751  -6.915
  260   2HD   PRO  30          2HD       PRO  30   9.224 -13.303  -6.075
  Start of MODEL    3
    1   1H    MET   1           H1       MET   1  -9.589   4.172  10.055
    2    HA   MET   1           HA       MET   1 -11.181   3.250   8.714
    3   1HB   MET   1          1HB       MET   1 -12.789   5.408   9.982
    4   2HB   MET   1          2HB       MET   1 -13.187   5.181   8.290
    5   1HG   MET   1          1HG       MET   1 -12.904   2.617   9.744
    6   2HG   MET   1          2HG       MET   1 -14.157   3.640  10.418
    7   1HE   MET   1          1HE       MET   1 -16.162   4.073   9.673
    8   2HE   MET   1          2HE       MET   1 -15.984   4.992   8.159
    9   3HE   MET   1          3HE       MET   1 -16.978   3.517   8.192
   10    H    VAL   2           H        VAL   2 -11.886   3.833   6.394
   11    HA   VAL   2           HA       VAL   2  -9.849   5.528   5.293
   12    HB   VAL   2           HB       VAL   2 -10.787   3.244   4.470
   13   1HG1  VAL   2          1HG1      VAL   2 -12.783   3.147   3.447
   14   2HG1  VAL   2          2HG1      VAL   2 -13.128   4.697   4.250
   15   3HG1  VAL   2          3HG1      VAL   2 -12.515   4.677   2.579
   16   1HG2  VAL   2          1HG2      VAL   2  -9.623   5.538   3.102
   17   2HG2  VAL   2          2HG2      VAL   2  -9.244   3.805   2.951
   18   3HG2  VAL   2          3HG2      VAL   2 -10.565   4.514   1.991
   19    H    LYS   3           H        LYS   3 -11.562   6.329   2.963
   20    HA   LYS   3           HA       LYS   3 -12.657   8.704   4.229
   21   1HB   LYS   3          1HB       LYS   3 -11.714   7.982   1.477
   22   2HB   LYS   3          2HB       LYS   3 -12.874   9.283   1.654
   23   1HG   LYS   3          1HG       LYS   3 -10.790  10.395   1.817
   24   2HG   LYS   3          2HG       LYS   3 -11.283  10.224   3.491
   25   1HD   LYS   3          1HD       LYS   3  -9.941   7.890   3.261
   26   2HD   LYS   3          2HD       LYS   3  -9.115   8.768   1.989
   27   1HE   LYS   3          1HE       LYS   3  -8.254  10.394   3.477
   28   2HE   LYS   3          2HE       LYS   3  -9.496  10.104   4.678
   29   1HZ   LYS   3          1HZ       LYS   3  -6.986   8.767   4.361
   30   2HZ   LYS   3          2HZ       LYS   3  -7.975   8.780   5.654
   31    H    SER   4           H        SER   4 -13.988   7.766   1.147
   32    HA   SER   4           HA       SER   4 -16.466   7.126   2.544
   33   1HB   SER   4          1HB       SER   4 -16.049   8.336  -0.225
   34   2HB   SER   4          2HB       SER   4 -17.611   7.937   0.461
   35    HG   SER   4           HG       SER   4 -15.714   9.875   1.477
   36    H    LYS   5           H        LYS   5 -14.002   6.077   0.276
   37    HA   LYS   5           HA       LYS   5 -14.532   3.460   0.316
   38   1HB   LYS   5          1HB       LYS   5 -16.604   4.799  -1.247
   39   2HB   LYS   5          2HB       LYS   5 -15.753   3.591  -2.188
   40   1HG   LYS   5          1HG       LYS   5 -16.374   1.827  -0.753
   41   2HG   LYS   5          2HG       LYS   5 -16.601   2.884   0.625
   42   1HD   LYS   5          1HD       LYS   5 -18.792   2.137  -0.183
   43   2HD   LYS   5          2HD       LYS   5 -18.637   3.860  -0.460
   44   1HE   LYS   5          1HE       LYS   5 -17.926   3.379  -2.838
   45   2HE   LYS   5          2HE       LYS   5 -18.192   1.672  -2.546
   46   1HZ   LYS   5          1HZ       LYS   5 -20.543   2.346  -1.901
   47   2HZ   LYS   5          2HZ       LYS   5 -20.233   3.817  -2.528
   48    H    ILE   6           H        ILE   6 -13.670   6.332  -1.571
   49    HA   ILE   6           HA       ILE   6 -11.917   4.826  -3.295
   50    HB   ILE   6           HB       ILE   6 -12.708   7.702  -3.005
   51   1HG1  ILE   6          1HG1      ILE   6 -12.668   6.210  -5.586
   52   2HG1  ILE   6          2HG1      ILE   6 -13.853   5.711  -4.394
   53   1HG2  ILE   6          1HG2      ILE   6 -10.477   6.715  -4.801
   54   2HG2  ILE   6          2HG2      ILE   6 -11.111   8.374  -4.680
   55   3HG2  ILE   6          3HG2      ILE   6 -10.246   7.649  -3.304
   56   1HD1  ILE   6          1HD1      ILE   6 -14.068   7.895  -6.158
   57   2HD1  ILE   6          2HD1      ILE   6 -15.127   7.549  -4.772
   58   3HD1  ILE   6          3HD1      ILE   6 -13.729   8.633  -4.574
   59    H    GLY   7           H        GLY   7 -11.850   6.291  -0.142
   60   1HA   GLY   7          1HA       GLY   7  -9.281   7.203   0.145
   61   2HA   GLY   7          2HA       GLY   7 -10.211   6.402   1.396
   62    H    SER   8           H        SER   8 -10.471   3.826  -0.096
   63    HA   SER   8           HA       SER   8  -7.942   2.784   0.707
   64   1HB   SER   8          1HB       SER   8 -10.597   1.809   0.503
   65   2HB   SER   8          2HB       SER   8  -9.679   0.873  -0.660
   66    HG   SER   8           HG       SER   8  -9.801   0.352   1.880
   67    H    TRP   9           H        TRP   9  -9.503   3.864  -2.232
   68    HA   TRP   9           HA       TRP   9  -8.009   2.240  -4.029
   69   1HB   TRP   9          1HB       TRP   9 -10.158   3.124  -4.664
   70   2HB   TRP   9          2HB       TRP   9  -9.614   4.770  -4.409
   71    HD1  TRP   9           HD1      TRP   9  -9.199   5.906  -6.713
   72    HE1  TRP   9           HE1      TRP   9  -8.250   5.282  -9.096
   73    HE3  TRP   9           HE3      TRP   9  -8.262   1.025  -5.640
   74    HZ2  TRP   9           HZ2      TRP   9  -7.238   2.871 -10.239
   75    HZ3  TRP   9           HZ3      TRP   9  -7.293  -0.396  -7.445
   76    HH2  TRP   9           HH2      TRP   9  -6.783   0.453  -9.680
   77    H    ILE  10           H        ILE  10  -7.936   5.800  -3.250
   78    HA   ILE  10           HA       ILE  10  -5.661   6.458  -4.559
   79    HB   ILE  10           HB       ILE  10  -7.001   7.455  -2.088
   80   1HG1  ILE  10          1HG1      ILE  10  -7.684   7.888  -4.551
   81   2HG1  ILE  10          2HG1      ILE  10  -7.673   9.224  -3.416
   82   1HG2  ILE  10          1HG2      ILE  10  -4.183   7.979  -2.827
   83   2HG2  ILE  10          2HG2      ILE  10  -5.176   9.411  -2.464
   84   3HG2  ILE  10          3HG2      ILE  10  -5.011   8.112  -1.257
   85   1HD1  ILE  10          1HD1      ILE  10  -5.638  10.112  -4.279
   86   2HD1  ILE  10          2HD1      ILE  10  -5.220   8.586  -5.094
   87   3HD1  ILE  10          3HD1      ILE  10  -6.541   9.599  -5.725
   88    H    LEU  11           H        LEU  11  -5.987   4.765  -1.416
   89    HA   LEU  11           HA       LEU  11  -3.275   4.917  -0.720
   90   1HB   LEU  11          1HB       LEU  11  -5.696   3.760   0.276
   91   2HB   LEU  11          2HB       LEU  11  -4.437   2.541   0.310
   92    HG   LEU  11           HG       LEU  11  -4.597   3.752   2.429
   93   1HD1  LEU  11          1HD1      LEU  11  -2.035   4.818   1.953
   94   2HD1  LEU  11          2HD1      LEU  11  -2.453   3.215   2.604
   95   3HD1  LEU  11          3HD1      LEU  11  -2.207   3.429   0.855
   96   1HD2  LEU  11          1HD2      LEU  11  -5.422   5.887   1.724
   97   2HD2  LEU  11          2HD2      LEU  11  -3.863   6.136   2.545
   98   3HD2  LEU  11          3HD2      LEU  11  -3.954   6.201   0.768
   99    H    VAL  12           H        VAL  12  -5.138   2.078  -2.031
  100    HA   VAL  12           HA       VAL  12  -3.016   0.458  -2.532
  101    HB   VAL  12           HB       VAL  12  -5.619   0.853  -4.005
  102   1HG1  VAL  12          1HG1      VAL  12  -4.801  -0.415  -5.659
  103   2HG1  VAL  12          2HG1      VAL  12  -3.323  -0.794  -4.743
  104   3HG1  VAL  12          3HG1      VAL  12  -4.796  -1.759  -4.492
  105   1HG2  VAL  12          1HG2      VAL  12  -4.784  -1.360  -2.108
  106   2HG2  VAL  12          2HG2      VAL  12  -5.624   0.120  -1.585
  107   3HG2  VAL  12          3HG2      VAL  12  -6.416  -0.998  -2.721
  108    H    LEU  13           H        LEU  13  -3.925   3.446  -4.149
  109    HA   LEU  13           HA       LEU  13  -2.400   2.894  -6.508
  110   1HB   LEU  13          1HB       LEU  13  -3.671   5.411  -5.425
  111   2HB   LEU  13          2HB       LEU  13  -2.848   5.308  -6.969
  112    HG   LEU  13           HG       LEU  13  -5.547   4.442  -6.201
  113   1HD1  LEU  13          1HD1      LEU  13  -4.482   4.803  -8.992
  114   2HD1  LEU  13          2HD1      LEU  13  -6.110   5.121  -8.351
  115   3HD1  LEU  13          3HD1      LEU  13  -4.761   6.201  -7.925
  116   1HD2  LEU  13          1HD2      LEU  13  -3.843   2.609  -7.910
  117   2HD2  LEU  13          2HD2      LEU  13  -4.608   2.223  -6.351
  118   3HD2  LEU  13          3HD2      LEU  13  -5.618   2.537  -7.783
  119    H    PHE  14           H        PHE  14  -1.979   4.806  -3.471
  120    HA   PHE  14           HA       PHE  14   0.463   5.931  -4.131
  121   1HB   PHE  14          1HB       PHE  14  -0.897   4.995  -1.545
  122   2HB   PHE  14          2HB       PHE  14   0.643   5.831  -1.492
  123    HD1  PHE  14           HD1      PHE  14  -0.971   7.286   0.017
  124    HD2  PHE  14           HD2      PHE  14  -1.167   7.087  -4.218
  125    HE1  PHE  14           HE1      PHE  14  -2.166   9.492  -0.032
  126    HE2  PHE  14           HE2      PHE  14  -2.362   9.293  -4.266
  127    HZ   PHE  14           HZ       PHE  14  -2.848  10.469  -2.172
  128    H    VAL  15           H        VAL  15  -0.391   2.668  -2.971
  129    HA   VAL  15           HA       VAL  15   2.398   2.042  -2.483
  130    HB   VAL  15           HB       VAL  15   1.400  -0.202  -1.904
  131   1HG1  VAL  15          1HG1      VAL  15   0.411   0.618   0.238
  132   2HG1  VAL  15          2HG1      VAL  15   1.972   1.375  -0.165
  133   3HG1  VAL  15          3HG1      VAL  15   0.456   2.272  -0.419
  134   1HG2  VAL  15          1HG2      VAL  15  -0.691   0.217  -3.310
  135   2HG2  VAL  15          2HG2      VAL  15  -0.940  -0.488  -1.695
  136   3HG2  VAL  15          3HG2      VAL  15  -1.260   1.241  -1.970
  137    H    ALA  16           H        ALA  16  -0.005   1.905  -5.021
  138    HA   ALA  16           HA       ALA  16   1.318  -0.227  -6.436
  139   1HB   ALA  16          1HB       ALA  16  -0.953   1.672  -7.144
  140   2HB   ALA  16          2HB       ALA  16  -0.397   0.334  -8.177
  141   3HB   ALA  16          3HB       ALA  16  -1.101  -0.010  -6.578
  142    H    MET  17           H        MET  17   1.233   3.343  -6.360
  143    HA   MET  17           HA       MET  17   2.596   3.627  -8.810
  144   1HB   MET  17          1HB       MET  17   1.366   5.285  -6.784
  145   2HB   MET  17          2HB       MET  17   3.000   5.880  -7.008
  146   1HG   MET  17          1HG       MET  17   1.929   7.073  -8.697
  147   2HG   MET  17          2HG       MET  17   2.389   5.648  -9.608
  148   1HE   MET  17          1HE       MET  17  -0.031   6.435 -11.361
  149   2HE   MET  17          2HE       MET  17   1.083   5.058 -11.175
  150   3HE   MET  17          3HE       MET  17  -0.676   4.783 -11.205
  151    H    TRP  18           H        TRP  18   3.551   3.353  -5.370
  152    HA   TRP  18           HA       TRP  18   6.249   4.127  -5.808
  153   1HB   TRP  18          1HB       TRP  18   5.825   4.424  -3.632
  154   2HB   TRP  18          2HB       TRP  18   4.579   3.192  -3.584
  155    HD1  TRP  18           HD1      TRP  18   8.347   2.587  -4.406
  156    HE1  TRP  18           HE1      TRP  18   9.399   0.858  -2.713
  157    HE3  TRP  18           HE3      TRP  18   4.213   2.141  -1.480
  158    HZ2  TRP  18           HZ2      TRP  18   8.406  -0.472  -0.391
  159    HZ3  TRP  18           HZ3      TRP  18   4.338   0.606   0.481
  160    HH2  TRP  18           HH2      TRP  18   6.342  -0.675   1.044
  161    H    SER  19           H        SER  19   4.372   1.054  -5.720
  162    HA   SER  19           HA       SER  19   6.560  -0.638  -5.797
  163   1HB   SER  19          1HB       SER  19   4.078  -1.177  -5.339
  164   2HB   SER  19          2HB       SER  19   3.857  -1.199  -7.078
  165    HG   SER  19           HG       SER  19   4.277  -3.331  -6.357
  166    H    ASP  20           H        ASP  20   5.111   1.442  -8.211
  167    HA   ASP  20           HA       ASP  20   6.091  -0.073 -10.415
  168   1HB   ASP  20          1HB       ASP  20   4.128   1.841 -10.090
  169   2HB   ASP  20          2HB       ASP  20   5.412   2.811 -10.783
  170    HD2  ASP  20           HD2      ASP  20   3.425  -0.073 -11.707
  171    H    VAL  21           H        VAL  21   6.915   2.897  -8.533
  172    HA   VAL  21           HA       VAL  21   9.039   3.711 -10.205
  173    HB   VAL  21           HB       VAL  21   8.165   4.329  -7.393
  174   1HG1  VAL  21          1HG1      VAL  21  10.548   4.550  -7.279
  175   2HG1  VAL  21          2HG1      VAL  21  10.607   5.386  -8.849
  176   3HG1  VAL  21          3HG1      VAL  21   9.867   6.187  -7.441
  177   1HG2  VAL  21          1HG2      VAL  21   6.744   5.310  -9.023
  178   2HG2  VAL  21          2HG2      VAL  21   7.824   6.610  -8.465
  179   3HG2  VAL  21          3HG2      VAL  21   8.121   5.816 -10.031
  180    H    GLY  22           H        GLY  22   8.647   1.212  -7.785
  181   1HA   GLY  22          1HA       GLY  22  11.039   0.880  -6.598
  182   2HA   GLY  22          2HA       GLY  22  10.077  -0.448  -7.216
  183    H    LEU  23           H        LEU  23  10.242  -0.519  -9.868
  184    HA   LEU  23           HA       LEU  23  13.125  -0.660 -10.354
  185   1HB   LEU  23          1HB       LEU  23  12.567  -2.293 -12.067
  186   2HB   LEU  23          2HB       LEU  23  12.004  -2.774 -10.480
  187    HG   LEU  23           HG       LEU  23  10.041  -1.350 -12.206
  188   1HD1  LEU  23          1HD1      LEU  23  11.527  -3.475 -13.303
  189   2HD1  LEU  23          2HD1      LEU  23   9.949  -4.159 -12.843
  190   3HD1  LEU  23          3HD1      LEU  23  10.027  -2.749 -13.926
  191   1HD2  LEU  23          1HD2      LEU  23   9.929  -2.655  -9.795
  192   2HD2  LEU  23          2HD2      LEU  23   8.538  -2.289 -10.842
  193   3HD2  LEU  23          3HD2      LEU  23   9.315  -3.888 -10.923
  194    H    CYS  24           H        CYS  24  12.694   1.857 -10.513
  195    HA   CYS  24           HA       CYS  24  13.106   2.566 -13.127
  196   1HB   CYS  24          1HB       CYS  24  10.429   1.983 -12.915
  197   2HB   CYS  24          2HB       CYS  24  10.433   3.708 -12.607
  198    HG   CYS  24           HG       CYS  24  10.018   2.879 -15.212
  199    H    LYS  25           H        LYS  25  14.618   3.318 -11.204
  200    HA   LYS  25           HA       LYS  25  14.687   5.982 -11.029
  201   1HB   LYS  25          1HB       LYS  25  12.528   5.000  -9.324
  202   2HB   LYS  25          2HB       LYS  25  13.716   5.912  -8.416
  203   1HG   LYS  25          1HG       LYS  25  12.789   7.023 -11.067
  204   2HG   LYS  25          2HG       LYS  25  11.702   7.135  -9.696
  205   1HD   LYS  25          1HD       LYS  25  12.927   8.795  -8.732
  206   2HD   LYS  25          2HD       LYS  25  14.429   7.915  -8.938
  207   1HE   LYS  25          1HE       LYS  25  13.091   9.280 -11.304
  208   2HE   LYS  25          2HE       LYS  25  14.125  10.185 -10.215
  209   1HZ   LYS  25          1HZ       LYS  25  15.893   9.323 -11.270
  210   2HZ   LYS  25          2HZ       LYS  25  15.445   7.798 -10.913
  211    H    LYS  26           H        LYS  26  15.061   2.846  -9.424
  212    HA   LYS  26           HA       LYS  26  16.972   3.531  -7.542
  213   1HB   LYS  26          1HB       LYS  26  15.660   1.288  -8.123
  214   2HB   LYS  26          2HB       LYS  26  17.143   0.911  -8.977
  215   1HG   LYS  26          1HG       LYS  26  18.007   1.983  -6.502
  216   2HG   LYS  26          2HG       LYS  26  16.633   0.978  -6.087
  217   1HD   LYS  26          1HD       LYS  26  17.638  -0.991  -6.935
  218   2HD   LYS  26          2HD       LYS  26  18.727  -0.107  -7.986
  219   1HE   LYS  26          1HE       LYS  26  19.541   0.855  -5.546
  220   2HE   LYS  26          2HE       LYS  26  18.998  -0.743  -5.075
  221   1HZ   LYS  26          1HZ       LYS  26  20.701  -1.708  -6.200
  222   2HZ   LYS  26          2HZ       LYS  26  20.618  -0.699  -7.476
  223    H    ARG  27           H        ARG  27  17.121   3.455 -11.036
  224    HA   ARG  27           HA       ARG  27  18.693   3.879 -12.454
  225   1HB   ARG  27          1HB       ARG  27  19.421   5.439 -10.106
  226   2HB   ARG  27          2HB       ARG  27  20.887   4.913 -10.910
  227   1HG   ARG  27          1HG       ARG  27  20.561   6.696 -12.295
  228   2HG   ARG  27          2HG       ARG  27  19.347   5.700 -13.073
  229   1HD   ARG  27          1HD       ARG  27  18.247   7.775 -12.560
  230   2HD   ARG  27          2HD       ARG  27  17.647   6.625 -11.382
  231    HE   ARG  27           HE       ARG  27  18.660   7.884  -9.698
  232   1HH1  ARG  27          1HH1      ARG  27  20.227   8.674 -12.776
  233   2HH1  ARG  27          2HH1      ARG  27  21.205   9.932 -12.097
  234   1HH2  ARG  27          1HH2      ARG  27  21.026  10.426  -9.759
  235    HA   PRO  28           HA       PRO  28  21.593   0.627 -12.268
  236   1HB   PRO  28          1HB       PRO  28  23.363   1.287 -14.244
  237   2HB   PRO  28          2HB       PRO  28  21.802   0.554 -14.559
  238   1HG   PRO  28          1HG       PRO  28  22.645   3.360 -14.953
  239   2HG   PRO  28          2HG       PRO  28  21.269   2.520 -15.640
  240   1HD   PRO  28          1HD       PRO  28  21.226   4.400 -13.473
  241   2HD   PRO  28          2HD       PRO  28  19.869   3.474 -14.084
  242    H    LYS  29           H        LYS  29  24.049   0.028 -12.208
  243    HA   LYS  29           HA       LYS  29  25.005   1.410  -9.929
  244   1HB   LYS  29          1HB       LYS  29  26.825  -0.151  -9.997
  245   2HB   LYS  29          2HB       LYS  29  25.344  -1.010 -10.368
  246   1HG   LYS  29          1HG       LYS  29  25.898  -1.285 -12.636
  247   2HG   LYS  29          2HG       LYS  29  26.932   0.130 -12.669
  248   1HD   LYS  29          1HD       LYS  29  28.759  -1.001 -11.738
  249   2HD   LYS  29          2HD       LYS  29  27.754  -2.148 -10.875
  250   1HE   LYS  29          1HE       LYS  29  28.066  -3.642 -12.552
  251   2HE   LYS  29          2HE       LYS  29  27.195  -2.577 -13.637
  252   1HZ   LYS  29          1HZ       LYS  29  30.101  -2.310 -13.082
  253   2HZ   LYS  29          2HZ       LYS  29  29.497  -3.084 -14.382
  254    HA   PRO  30           HA       PRO  30  27.403   4.466 -11.808
  255   1HB   PRO  30          1HB       PRO  30  29.373   4.874  -9.958
  256   2HB   PRO  30          2HB       PRO  30  27.759   5.537  -9.800
  257   1HG   PRO  30          1HG       PRO  30  28.973   3.256  -8.366
  258   2HG   PRO  30          2HG       PRO  30  27.552   4.190  -7.940
  259   1HD   PRO  30          1HD       PRO  30  27.597   1.565  -9.095
  260   2HD   PRO  30          2HD       PRO  30  26.180   2.546  -8.777
  Start of MODEL    4
    1   1H    MET   1           H1       MET   1 -16.059   2.739 -12.206
    2    HA   MET   1           HA       MET   1 -16.494   0.828 -11.254
    3   1HB   MET   1          1HB       MET   1 -14.616  -0.761 -10.701
    4   2HB   MET   1          2HB       MET   1 -14.429  -0.073 -12.302
    5   1HG   MET   1          1HG       MET   1 -12.606   1.257 -11.679
    6   2HG   MET   1          2HG       MET   1 -13.141   1.411 -10.017
    7   1HE   MET   1          1HE       MET   1 -11.156   0.010 -12.517
    8   2HE   MET   1          2HE       MET   1  -9.873   0.035 -11.284
    9   3HE   MET   1          3HE       MET   1 -10.425  -1.516 -11.963
   10    H    VAL   2           H        VAL   2 -16.154  -0.457  -9.028
   11    HA   VAL   2           HA       VAL   2 -16.310  -0.391  -6.825
   12    HB   VAL   2           HB       VAL   2 -14.191   1.735  -7.167
   13   1HG1  VAL   2          1HG1      VAL   2 -15.657   0.947  -4.788
   14   2HG1  VAL   2          2HG1      VAL   2 -13.923   0.581  -4.624
   15   3HG1  VAL   2          3HG1      VAL   2 -14.450   2.237  -5.006
   16   1HG2  VAL   2          1HG2      VAL   2 -13.320  -0.296  -7.963
   17   2HG2  VAL   2          2HG2      VAL   2 -12.757  -0.216  -6.276
   18   3HG2  VAL   2          3HG2      VAL   2 -14.141  -1.250  -6.704
   19    H    LYS   3           H        LYS   3 -15.516   3.005  -6.470
   20    HA   LYS   3           HA       LYS   3 -16.757   4.827  -6.171
   21   1HB   LYS   3          1HB       LYS   3 -18.319   3.429  -7.996
   22   2HB   LYS   3          2HB       LYS   3 -19.435   3.765  -6.688
   23   1HG   LYS   3          1HG       LYS   3 -18.886   6.168  -6.770
   24   2HG   LYS   3          2HG       LYS   3 -17.638   5.879  -7.966
   25   1HD   LYS   3          1HD       LYS   3 -19.220   5.319  -9.667
   26   2HD   LYS   3          2HD       LYS   3 -20.503   5.028  -8.509
   27   1HE   LYS   3          1HE       LYS   3 -20.166   7.588  -7.890
   28   2HE   LYS   3          2HE       LYS   3 -19.376   7.681  -9.452
   29   1HZ   LYS   3          1HZ       LYS   3 -21.375   7.614 -10.451
   30   2HZ   LYS   3          2HZ       LYS   3 -21.825   6.253  -9.677
   31    H    SER   4           H        SER   4 -16.001   4.291  -3.951
   32    HA   SER   4           HA       SER   4 -17.789   4.752  -2.077
   33   1HB   SER   4          1HB       SER   4 -18.120   1.976  -2.975
   34   2HB   SER   4          2HB       SER   4 -17.768   2.057  -1.260
   35    HG   SER   4           HG       SER   4 -20.110   2.232  -1.998
   36    H    LYS   5           H        LYS   5 -14.963   2.926  -3.144
   37    HA   LYS   5           HA       LYS   5 -13.755   3.352  -0.500
   38   1HB   LYS   5          1HB       LYS   5 -13.766   1.032  -2.321
   39   2HB   LYS   5          2HB       LYS   5 -12.179   1.463  -1.716
   40   1HG   LYS   5          1HG       LYS   5 -12.813   0.194   0.092
   41   2HG   LYS   5          2HG       LYS   5 -13.593   1.677   0.605
   42   1HD   LYS   5          1HD       LYS   5 -15.696   0.903  -0.622
   43   2HD   LYS   5          2HD       LYS   5 -14.898  -0.630  -0.910
   44   1HE   LYS   5          1HE       LYS   5 -15.168  -1.331   1.261
   45   2HE   LYS   5          2HE       LYS   5 -14.778   0.244   1.925
   46   1HZ   LYS   5          1HZ       LYS   5 -16.962   0.857   1.904
   47   2HZ   LYS   5          2HZ       LYS   5 -17.319   0.087   0.514
   48    H    ILE   6           H        ILE   6 -13.896   5.548  -2.126
   49    HA   ILE   6           HA       ILE   6 -11.828   5.766  -3.994
   50    HB   ILE   6           HB       ILE   6 -13.428   7.735  -2.383
   51   1HG1  ILE   6          1HG1      ILE   6 -14.635   6.578  -4.131
   52   2HG1  ILE   6          2HG1      ILE   6 -14.405   8.256  -4.580
   53   1HG2  ILE   6          1HG2      ILE   6 -11.724   9.181  -2.629
   54   2HG2  ILE   6          2HG2      ILE   6 -10.943   8.217  -3.905
   55   3HG2  ILE   6          3HG2      ILE   6 -12.308   9.287  -4.308
   56   1HD1  ILE   6          1HD1      ILE   6 -12.998   5.803  -5.670
   57   2HD1  ILE   6          2HD1      ILE   6 -13.844   7.092  -6.558
   58   3HD1  ILE   6          3HD1      ILE   6 -12.255   7.413  -5.822
   59    H    GLY   7           H        GLY   7 -11.851   5.657  -0.497
   60   1HA   GLY   7          1HA       GLY   7  -9.314   7.009  -0.188
   61   2HA   GLY   7          2HA       GLY   7 -10.265   6.210   1.049
   62    H    SER   8           H        SER   8 -10.592   3.615   0.063
   63    HA   SER   8           HA       SER   8  -8.096   2.538   0.678
   64   1HB   SER   8          1HB       SER   8 -10.607   1.594   0.814
   65   2HB   SER   8          2HB       SER   8 -10.189   0.898  -0.739
   66    HG   SER   8           HG       SER   8  -8.216   0.023   0.376
   67    H    TRP   9           H        TRP   9  -9.524   3.699  -2.277
   68    HA   TRP   9           HA       TRP   9  -7.960   2.013  -4.008
   69   1HB   TRP   9          1HB       TRP   9 -10.121   2.667  -4.767
   70   2HB   TRP   9          2HB       TRP   9  -9.794   4.363  -4.473
   71    HD1  TRP   9           HD1      TRP   9  -9.091   5.677  -6.618
   72    HE1  TRP   9           HE1      TRP   9  -8.108   5.174  -9.014
   73    HE3  TRP   9           HE3      TRP   9  -8.415   0.693  -5.868
   74    HZ2  TRP   9           HZ2      TRP   9  -7.179   2.801 -10.299
   75    HZ3  TRP   9           HZ3      TRP   9  -7.465  -0.645  -7.744
   76    HH2  TRP   9           HH2      TRP   9  -6.853   0.331  -9.901
   77    H    ILE  10           H        ILE  10  -8.116   5.550  -3.153
   78    HA   ILE  10           HA       ILE  10  -5.829   6.291  -4.518
   79    HB   ILE  10           HB       ILE  10  -7.686   7.676  -3.402
   80   1HG1  ILE  10          1HG1      ILE  10  -6.225   9.641  -3.297
   81   2HG1  ILE  10          2HG1      ILE  10  -4.807   8.614  -3.231
   82   1HG2  ILE  10          1HG2      ILE  10  -6.943   8.651  -1.194
   83   2HG2  ILE  10          2HG2      ILE  10  -7.545   6.976  -1.141
   84   3HG2  ILE  10          3HG2      ILE  10  -5.795   7.296  -1.074
   85   1HD1  ILE  10          1HD1      ILE  10  -4.823   8.276  -5.479
   86   2HD1  ILE  10          2HD1      ILE  10  -6.564   7.903  -5.484
   87   3HD1  ILE  10          3HD1      ILE  10  -6.015   9.596  -5.555
   88    H    LEU  11           H        LEU  11  -6.218   4.341  -1.660
   89    HA   LEU  11           HA       LEU  11  -3.599   4.910  -0.633
   90   1HB   LEU  11          1HB       LEU  11  -5.971   3.821   0.348
   91   2HB   LEU  11          2HB       LEU  11  -4.854   2.471   0.318
   92    HG   LEU  11           HG       LEU  11  -4.820   3.549   2.485
   93   1HD1  LEU  11          1HD1      LEU  11  -2.220   4.326   1.171
   94   2HD1  LEU  11          2HD1      LEU  11  -2.505   3.669   2.801
   95   3HD1  LEU  11          3HD1      LEU  11  -2.700   2.624   1.373
   96   1HD2  LEU  11          1HD2      LEU  11  -5.557   5.779   1.841
   97   2HD2  LEU  11          2HD2      LEU  11  -4.053   5.860   2.790
   98   3HD2  LEU  11          3HD2      LEU  11  -4.002   6.075   1.023
   99    H    VAL  12           H        VAL  12  -5.234   2.188  -2.379
  100    HA   VAL  12           HA       VAL  12  -2.909   0.620  -2.548
  101    HB   VAL  12           HB       VAL  12  -5.334   0.644  -4.354
  102   1HG1  VAL  12          1HG1      VAL  12  -4.556  -1.238  -5.286
  103   2HG1  VAL  12          2HG1      VAL  12  -2.990  -0.840  -4.539
  104   3HG1  VAL  12          3HG1      VAL  12  -4.121  -1.936  -3.708
  105   1HG2  VAL  12          1HG2      VAL  12  -6.595  -0.277  -2.741
  106   2HG2  VAL  12          2HG2      VAL  12  -5.276  -1.335  -2.187
  107   3HG2  VAL  12          3HG2      VAL  12  -5.373   0.345  -1.607
  108    H    LEU  13           H        LEU  13  -3.768   3.598  -4.013
  109    HA   LEU  13           HA       LEU  13  -2.414   3.126  -6.495
  110   1HB   LEU  13          1HB       LEU  13  -3.542   5.591  -5.172
  111   2HB   LEU  13          2HB       LEU  13  -2.736   5.616  -6.727
  112    HG   LEU  13           HG       LEU  13  -5.463   4.855  -6.046
  113   1HD1  LEU  13          1HD1      LEU  13  -5.949   5.769  -8.070
  114   2HD1  LEU  13          2HD1      LEU  13  -4.356   6.518  -7.806
  115   3HD1  LEU  13          3HD1      LEU  13  -4.504   5.089  -8.857
  116   1HD2  LEU  13          1HD2      LEU  13  -4.631   2.574  -6.229
  117   2HD2  LEU  13          2HD2      LEU  13  -5.676   2.976  -7.613
  118   3HD2  LEU  13          3HD2      LEU  13  -3.907   2.946  -7.812
  119    H    PHE  14           H        PHE  14  -1.770   5.175  -3.560
  120    HA   PHE  14           HA       PHE  14   0.715   6.047  -4.269
  121   1HB   PHE  14          1HB       PHE  14  -0.306   5.090  -1.527
  122   2HB   PHE  14          2HB       PHE  14   0.998   6.238  -1.761
  123    HD1  PHE  14           HD1      PHE  14  -0.159   7.954  -3.897
  124    HD2  PHE  14           HD2      PHE  14  -1.930   6.325  -0.401
  125    HE1  PHE  14           HE1      PHE  14  -1.814   9.841  -3.856
  126    HE2  PHE  14           HE2      PHE  14  -3.585   8.211  -0.360
  127    HZ   PHE  14           HZ       PHE  14  -3.508   9.947  -2.088
  128    H    VAL  15           H        VAL  15  -0.252   2.886  -2.862
  129    HA   VAL  15           HA       VAL  15   2.480   2.081  -2.500
  130    HB   VAL  15           HB       VAL  15   1.494  -0.025  -1.792
  131   1HG1  VAL  15          1HG1      VAL  15   1.425   1.143   0.126
  132   2HG1  VAL  15          2HG1      VAL  15   0.752   2.586  -0.671
  133   3HG1  VAL  15          3HG1      VAL  15  -0.326   1.262  -0.166
  134   1HG2  VAL  15          1HG2      VAL  15  -0.339  -0.602  -3.009
  135   2HG2  VAL  15          2HG2      VAL  15  -1.187   0.167  -1.645
  136   3HG2  VAL  15          3HG2      VAL  15  -0.913   1.076  -3.151
  137    H    ALA  16           H        ALA  16   0.054   2.059  -5.039
  138    HA   ALA  16           HA       ALA  16   1.261  -0.103  -6.485
  139   1HB   ALA  16          1HB       ALA  16  -1.086   0.199  -6.761
  140   2HB   ALA  16          2HB       ALA  16  -0.904   1.945  -7.061
  141   3HB   ALA  16          3HB       ALA  16  -0.353   0.770  -8.280
  142    H    MET  17           H        MET  17   1.243   3.504  -6.584
  143    HA   MET  17           HA       MET  17   2.765   3.665  -8.917
  144   1HB   MET  17          1HB       MET  17   1.364   5.424  -7.331
  145   2HB   MET  17          2HB       MET  17   2.993   5.812  -6.814
  146   1HG   MET  17          1HG       MET  17   2.626   7.284  -8.644
  147   2HG   MET  17          2HG       MET  17   3.578   5.991  -9.347
  148   1HE   MET  17          1HE       MET  17   1.603   5.255 -12.338
  149   2HE   MET  17          2HE       MET  17   2.828   6.433 -11.810
  150   3HE   MET  17          3HE       MET  17   2.961   4.728 -11.314
  151    H    TRP  18           H        TRP  18   3.585   3.317  -5.462
  152    HA   TRP  18           HA       TRP  18   6.324   4.003  -5.780
  153   1HB   TRP  18          1HB       TRP  18   5.791   4.281  -3.619
  154   2HB   TRP  18          2HB       TRP  18   4.544   3.050  -3.639
  155    HD1  TRP  18           HD1      TRP  18   8.285   2.333  -4.429
  156    HE1  TRP  18           HE1      TRP  18   9.294   0.615  -2.697
  157    HE3  TRP  18           HE3      TRP  18   4.176   2.130  -1.440
  158    HZ2  TRP  18           HZ2      TRP  18   8.283  -0.607  -0.326
  159    HZ3  TRP  18           HZ3      TRP  18   4.270   0.649   0.563
  160    HH2  TRP  18           HH2      TRP  18   6.232  -0.689   1.140
  161    H    SER  19           H        SER  19   4.429   0.917  -5.506
  162    HA   SER  19           HA       SER  19   6.650  -0.726  -5.783
  163   1HB   SER  19          1HB       SER  19   4.126  -1.186  -5.059
  164   2HB   SER  19          2HB       SER  19   3.920  -1.573  -6.755
  165    HG   SER  19           HG       SER  19   4.559  -3.373  -5.209
  166    H    ASP  20           H        ASP  20   4.839   1.208  -8.058
  167    HA   ASP  20           HA       ASP  20   5.260  -0.350 -10.331
  168   1HB   ASP  20          1HB       ASP  20   4.277   2.332  -9.652
  169   2HB   ASP  20          2HB       ASP  20   5.218   2.370 -11.129
  170    HD2  ASP  20           HD2      ASP  20   3.086  -0.405 -10.372
  171    H    VAL  21           H        VAL  21   6.972   2.492  -8.844
  172    HA   VAL  21           HA       VAL  21   8.896   2.890 -10.761
  173    HB   VAL  21           HB       VAL  21   8.743   3.296  -7.796
  174   1HG1  VAL  21          1HG1      VAL  21  11.163   3.889  -9.531
  175   2HG1  VAL  21          2HG1      VAL  21  10.904   4.527  -7.889
  176   3HG1  VAL  21          3HG1      VAL  21  11.085   2.775  -8.145
  177   1HG2  VAL  21          1HG2      VAL  21   7.482   4.865  -9.058
  178   2HG2  VAL  21          2HG2      VAL  21   8.974   5.709  -8.574
  179   3HG2  VAL  21          3HG2      VAL  21   8.798   5.091 -10.234
  180    H    GLY  22           H        GLY  22   8.431   0.188  -8.590
  181   1HA   GLY  22          1HA       GLY  22  11.057  -0.736  -8.325
  182   2HA   GLY  22          2HA       GLY  22   9.597  -1.702  -8.249
  183    H    LEU  23           H        LEU  23   8.482  -1.652 -10.733
  184    HA   LEU  23           HA       LEU  23  10.632  -2.768 -12.387
  185   1HB   LEU  23          1HB       LEU  23   8.628  -4.155 -11.504
  186   2HB   LEU  23          2HB       LEU  23   7.702  -3.322 -12.737
  187    HG   LEU  23           HG       LEU  23   9.305  -4.174 -14.458
  188   1HD1  LEU  23          1HD1      LEU  23  10.471  -6.380 -13.279
  189   2HD1  LEU  23          2HD1      LEU  23  11.294  -4.867 -13.727
  190   3HD1  LEU  23          3HD1      LEU  23  10.703  -5.101 -12.064
  191   1HD2  LEU  23          1HD2      LEU  23   7.834  -6.222 -12.778
  192   2HD2  LEU  23          2HD2      LEU  23   7.192  -5.288 -14.150
  193   3HD2  LEU  23          3HD2      LEU  23   8.459  -6.509 -14.419
  194    H    CYS  24           H        CYS  24  10.901  -0.208 -12.624
  195    HA   CYS  24           HA       CYS  24   9.387   0.457 -15.039
  196   1HB   CYS  24          1HB       CYS  24   8.747   1.739 -12.838
  197   2HB   CYS  24          2HB       CYS  24  10.236   2.619 -13.124
  198    HG   CYS  24           HG       CYS  24   8.748   2.164 -15.871
  199    H    LYS  25           H        LYS  25  10.783   0.750 -16.747
  200    HA   LYS  25           HA       LYS  25  12.576   1.533 -17.847
  201   1HB   LYS  25          1HB       LYS  25  12.861   3.099 -15.772
  202   2HB   LYS  25          2HB       LYS  25  14.139   1.989 -15.315
  203   1HG   LYS  25          1HG       LYS  25  15.350   2.383 -17.382
  204   2HG   LYS  25          2HG       LYS  25  13.993   3.233 -18.094
  205   1HD   LYS  25          1HD       LYS  25  14.230   5.085 -16.506
  206   2HD   LYS  25          2HD       LYS  25  15.436   4.206 -15.586
  207   1HE   LYS  25          1HE       LYS  25  16.215   4.363 -18.406
  208   2HE   LYS  25          2HE       LYS  25  15.895   5.965 -17.770
  209   1HZ   LYS  25          1HZ       LYS  25  17.351   5.138 -15.796
  210   2HZ   LYS  25          2HZ       LYS  25  17.899   4.017 -16.841
  211    H    LYS  26           H        LYS  26  12.319  -0.991 -15.568
  212    HA   LYS  26           HA       LYS  26  14.863  -2.189 -16.102
  213   1HB   LYS  26          1HB       LYS  26  12.417  -2.876 -14.523
  214   2HB   LYS  26          2HB       LYS  26  13.490  -4.183 -14.983
  215   1HG   LYS  26          1HG       LYS  26  15.251  -3.397 -13.679
  216   2HG   LYS  26          2HG       LYS  26  14.793  -1.716 -13.871
  217   1HD   LYS  26          1HD       LYS  26  14.073  -1.951 -11.698
  218   2HD   LYS  26          2HD       LYS  26  12.627  -2.576 -12.467
  219   1HE   LYS  26          1HE       LYS  26  13.220  -4.840 -12.048
  220   2HE   LYS  26          2HE       LYS  26  14.917  -4.462 -11.837
  221   1HZ   LYS  26          1HZ       LYS  26  13.088  -3.196  -9.950
  222   2HZ   LYS  26          2HZ       LYS  26  13.278  -4.806  -9.782
  223    H    ARG  27           H        ARG  27  12.092  -4.313 -16.338
  224    HA   ARG  27           HA       ARG  27  12.962  -4.979 -18.988
  225   1HB   ARG  27          1HB       ARG  27  11.482  -6.303 -16.792
  226   2HB   ARG  27          2HB       ARG  27  10.766  -6.621 -18.361
  227   1HG   ARG  27          1HG       ARG  27  13.404  -6.984 -18.988
  228   2HG   ARG  27          2HG       ARG  27  13.448  -7.431 -17.294
  229   1HD   ARG  27          1HD       ARG  27  11.176  -8.772 -18.130
  230   2HD   ARG  27          2HD       ARG  27  12.146  -8.826 -19.587
  231    HE   ARG  27           HE       ARG  27  13.588  -9.555 -17.119
  232   1HH1  ARG  27          1HH1      ARG  27  11.740 -10.735 -19.903
  233   2HH1  ARG  27          2HH1      ARG  27  12.361 -12.347 -19.790
  234   1HH2  ARG  27          1HH2      ARG  27  13.928 -12.882 -18.057
  235    HA   PRO  28           HA       PRO  28   9.539  -3.153 -20.981
  236   1HB   PRO  28          1HB       PRO  28   9.095  -4.805 -23.113
  237   2HB   PRO  28          2HB       PRO  28  10.379  -3.612 -23.077
  238   1HG   PRO  28          1HG       PRO  28  10.567  -6.546 -22.773
  239   2HG   PRO  28          2HG       PRO  28  11.833  -5.400 -23.160
  240   1HD   PRO  28          1HD       PRO  28  11.378  -6.662 -20.625
  241   2HD   PRO  28          2HD       PRO  28  12.571  -5.429 -20.983
  242    H    LYS  29           H        LYS  29   7.790  -3.000 -19.679
  243    HA   LYS  29           HA       LYS  29   5.866  -5.138 -20.127
  244   1HB   LYS  29          1HB       LYS  29   7.292  -4.667 -17.611
  245   2HB   LYS  29          2HB       LYS  29   5.552  -4.596 -17.423
  246   1HG   LYS  29          1HG       LYS  29   5.284  -6.834 -17.848
  247   2HG   LYS  29          2HG       LYS  29   6.447  -6.829 -19.158
  248   1HD   LYS  29          1HD       LYS  29   8.322  -6.843 -17.528
  249   2HD   LYS  29          2HD       LYS  29   7.189  -6.765 -16.194
  250   1HE   LYS  29          1HE       LYS  29   7.675  -9.075 -16.330
  251   2HE   LYS  29          2HE       LYS  29   6.153  -8.951 -17.190
  252   1HZ   LYS  29          1HZ       LYS  29   8.814  -8.948 -18.512
  253   2HZ   LYS  29          2HZ       LYS  29   7.820 -10.236 -18.440
  254    HA   PRO  30           HA       PRO  30   3.984  -1.111 -20.524
  255   1HB   PRO  30          1HB       PRO  30   2.432  -1.703 -22.694
  256   2HB   PRO  30          2HB       PRO  30   4.043  -1.025 -22.824
  257   1HG   PRO  30          1HG       PRO  30   3.154  -3.799 -23.329
  258   2HG   PRO  30          2HG       PRO  30   4.628  -3.007 -23.847
  259   1HD   PRO  30          1HD       PRO  30   4.356  -4.891 -21.702
  260   2HD   PRO  30          2HD       PRO  30   5.805  -4.012 -22.147
  Start of MODEL    5
    1   1H    MET   1           H1       MET   1 -21.361   1.803  -8.350
    2    HA   MET   1           HA       MET   1 -19.781   3.562  -8.020
    3   1HB   MET   1          1HB       MET   1 -22.458   3.862  -8.231
    4   2HB   MET   1          2HB       MET   1 -22.295   4.521  -6.615
    5   1HG   MET   1          1HG       MET   1 -21.364   6.459  -7.383
    6   2HG   MET   1          2HG       MET   1 -20.241   5.606  -8.423
    7   1HE   MET   1          1HE       MET   1 -21.926   4.132 -10.853
    8   2HE   MET   1          2HE       MET   1 -21.570   5.612 -11.775
    9   3HE   MET   1          3HE       MET   1 -20.413   5.021 -10.559
   10    H    VAL   2           H        VAL   2 -21.716   2.831  -5.034
   11    HA   VAL   2           HA       VAL   2 -21.226   3.004  -2.887
   12    HB   VAL   2           HB       VAL   2 -18.400   2.974  -3.953
   13   1HG1  VAL   2          1HG1      VAL   2 -19.242   3.736  -1.357
   14   2HG1  VAL   2          2HG1      VAL   2 -18.592   2.085  -1.221
   15   3HG1  VAL   2          3HG1      VAL   2 -17.590   3.380  -1.917
   16   1HG2  VAL   2          1HG2      VAL   2 -20.293   0.866  -2.904
   17   2HG2  VAL   2          2HG2      VAL   2 -19.406   0.908  -4.446
   18   3HG2  VAL   2          3HG2      VAL   2 -18.530   0.617  -2.924
   19    H    LYS   3           H        LYS   3 -18.268   4.838  -3.313
   20    HA   LYS   3           HA       LYS   3 -17.835   7.032  -3.263
   21   1HB   LYS   3          1HB       LYS   3 -20.349   7.107  -4.360
   22   2HB   LYS   3          2HB       LYS   3 -20.582   8.043  -2.897
   23   1HG   LYS   3          1HG       LYS   3 -18.169   8.566  -4.663
   24   2HG   LYS   3          2HG       LYS   3 -19.727   9.248  -5.085
   25   1HD   LYS   3          1HD       LYS   3 -18.926   9.603  -2.228
   26   2HD   LYS   3          2HD       LYS   3 -17.924  10.450  -3.389
   27   1HE   LYS   3          1HE       LYS   3 -19.520  12.075  -3.375
   28   2HE   LYS   3          2HE       LYS   3 -20.492  10.982  -4.339
   29   1HZ   LYS   3          1HZ       LYS   3 -21.861  10.636  -2.598
   30   2HZ   LYS   3          2HZ       LYS   3 -20.651  10.365  -1.544
   31    H    SER   4           H        SER   4 -16.788   6.581  -1.276
   32    HA   SER   4           HA       SER   4 -17.363   8.076   0.811
   33   1HB   SER   4          1HB       SER   4 -19.255   5.829   0.763
   34   2HB   SER   4          2HB       SER   4 -18.332   5.857   2.253
   35    HG   SER   4           HG       SER   4 -19.618   7.432   2.895
   36    H    LYS   5           H        LYS   5 -16.310   4.947  -0.440
   37    HA   LYS   5           HA       LYS   5 -14.119   4.989   1.516
   38   1HB   LYS   5          1HB       LYS   5 -14.134   2.583   1.592
   39   2HB   LYS   5          2HB       LYS   5 -15.727   3.176   2.011
   40   1HG   LYS   5          1HG       LYS   5 -16.058   2.910  -0.685
   41   2HG   LYS   5          2HG       LYS   5 -14.837   1.680  -0.430
   42   1HD   LYS   5          1HD       LYS   5 -16.502   1.095   1.658
   43   2HD   LYS   5          2HD       LYS   5 -17.669   1.776   0.541
   44   1HE   LYS   5          1HE       LYS   5 -17.621  -0.085  -0.766
   45   2HE   LYS   5          2HE       LYS   5 -15.873  -0.027  -0.889
   46   1HZ   LYS   5          1HZ       LYS   5 -17.509  -1.475   1.063
   47   2HZ   LYS   5          2HZ       LYS   5 -16.161  -1.968   0.293
   48    H    ILE   6           H        ILE   6 -13.438   6.505  -0.408
   49    HA   ILE   6           HA       ILE   6 -12.382   4.863  -2.588
   50    HB   ILE   6           HB       ILE   6 -13.047   7.772  -2.290
   51   1HG1  ILE   6          1HG1      ILE   6 -14.739   6.068  -3.065
   52   2HG1  ILE   6          2HG1      ILE   6 -14.468   7.421  -4.146
   53   1HG2  ILE   6          1HG2      ILE   6 -12.010   8.067  -4.582
   54   2HG2  ILE   6          2HG2      ILE   6 -10.875   7.916  -3.217
   55   3HG2  ILE   6          3HG2      ILE   6 -11.158   6.530  -4.297
   56   1HD1  ILE   6          1HD1      ILE   6 -14.482   4.897  -5.046
   57   2HD1  ILE   6          2HD1      ILE   6 -13.397   6.120  -5.750
   58   3HD1  ILE   6          3HD1      ILE   6 -12.774   4.964  -4.548
   59    H    GLY   7           H        GLY   7 -11.552   6.558   0.345
   60   1HA   GLY   7          1HA       GLY   7  -8.955   7.371  -0.101
   61   2HA   GLY   7          2HA       GLY   7  -9.595   6.793   1.425
   62    H    SER   8           H        SER   8 -10.294   4.078   0.364
   63    HA   SER   8           HA       SER   8  -7.789   2.907   0.869
   64   1HB   SER   8          1HB       SER   8 -10.582   1.977   0.352
   65   2HB   SER   8          2HB       SER   8  -9.320   0.825  -0.034
   66    HG   SER   8           HG       SER   8  -9.794   2.117   2.512
   67    H    TRP   9           H        TRP   9  -9.479   4.000  -1.992
   68    HA   TRP   9           HA       TRP   9  -8.140   2.226  -3.804
   69   1HB   TRP   9          1HB       TRP   9 -10.265   4.192  -3.894
   70   2HB   TRP   9          2HB       TRP   9  -9.135   4.432  -5.211
   71    HD1  TRP   9           HD1      TRP   9 -12.180   2.553  -4.548
   72    HE1  TRP   9           HE1      TRP   9 -12.576   0.503  -6.162
   73    HE3  TRP   9           HE3      TRP   9  -7.425   2.375  -6.343
   74    HZ2  TRP   9           HZ2      TRP   9 -10.894  -0.930  -7.968
   75    HZ3  TRP   9           HZ3      TRP   9  -6.886   0.621  -8.028
   76    HH2  TRP   9           HH2      TRP   9  -8.529  -0.996  -8.842
   77    H    ILE  10           H        ILE  10  -7.989   5.756  -2.936
   78    HA   ILE  10           HA       ILE  10  -5.789   6.327  -4.546
   79    HB   ILE  10           HB       ILE  10  -7.176   7.603  -2.245
   80   1HG1  ILE  10          1HG1      ILE  10  -7.847   7.769  -4.702
   81   2HG1  ILE  10          2HG1      ILE  10  -7.726   9.266  -3.798
   82   1HG2  ILE  10          1HG2      ILE  10  -5.580   9.433  -2.144
   83   2HG2  ILE  10          2HG2      ILE  10  -4.797   7.898  -1.696
   84   3HG2  ILE  10          3HG2      ILE  10  -4.519   8.602  -3.307
   85   1HD1  ILE  10          1HD1      ILE  10  -6.544   8.916  -6.212
   86   2HD1  ILE  10          2HD1      ILE  10  -5.874   9.996  -4.966
   87   3HD1  ILE  10          3HD1      ILE  10  -5.220   8.352  -5.163
   88    H    LEU  11           H        LEU  11  -6.067   4.410  -1.693
   89    HA   LEU  11           HA       LEU  11  -3.372   4.905  -0.808
   90   1HB   LEU  11          1HB       LEU  11  -5.756   3.805   0.270
   91   2HB   LEU  11          2HB       LEU  11  -4.536   2.549   0.320
   92    HG   LEU  11           HG       LEU  11  -4.604   3.816   2.402
   93   1HD1  LEU  11          1HD1      LEU  11  -2.246   4.255   2.649
   94   2HD1  LEU  11          2HD1      LEU  11  -2.471   2.833   1.604
   95   3HD1  LEU  11          3HD1      LEU  11  -2.047   4.406   0.888
   96   1HD2  LEU  11          1HD2      LEU  11  -5.067   5.986   2.364
   97   2HD2  LEU  11          2HD2      LEU  11  -3.409   6.277   1.788
   98   3HD2  LEU  11          3HD2      LEU  11  -4.736   6.086   0.618
   99    H    VAL  12           H        VAL  12  -5.216   2.135  -2.268
  100    HA   VAL  12           HA       VAL  12  -3.028   0.465  -2.573
  101    HB   VAL  12           HB       VAL  12  -5.628   0.179  -2.876
  102   1HG1  VAL  12          1HG1      VAL  12  -4.923   0.128  -5.789
  103   2HG1  VAL  12          2HG1      VAL  12  -6.507   0.318  -4.999
  104   3HG1  VAL  12          3HG1      VAL  12  -5.362   1.680  -5.038
  105   1HG2  VAL  12          1HG2      VAL  12  -3.622  -1.514  -2.971
  106   2HG2  VAL  12          2HG2      VAL  12  -5.227  -1.992  -3.573
  107   3HG2  VAL  12          3HG2      VAL  12  -3.956  -1.506  -4.720
  108    H    LEU  13           H        LEU  13  -3.825   3.452  -4.153
  109    HA   LEU  13           HA       LEU  13  -2.335   2.829  -6.542
  110   1HB   LEU  13          1HB       LEU  13  -3.662   5.343  -5.524
  111   2HB   LEU  13          2HB       LEU  13  -2.791   5.246  -7.042
  112    HG   LEU  13           HG       LEU  13  -5.483   4.267  -6.324
  113   1HD1  LEU  13          1HD1      LEU  13  -5.794   4.659  -8.806
  114   2HD1  LEU  13          2HD1      LEU  13  -5.342   6.080  -7.834
  115   3HD1  LEU  13          3HD1      LEU  13  -4.117   5.257  -8.831
  116   1HD2  LEU  13          1HD2      LEU  13  -5.518   2.380  -7.802
  117   2HD2  LEU  13          2HD2      LEU  13  -3.823   2.647  -8.271
  118   3HD2  LEU  13          3HD2      LEU  13  -4.217   2.135  -6.613
  119    H    PHE  14           H        PHE  14  -1.965   4.841  -3.559
  120    HA   PHE  14           HA       PHE  14   0.475   5.960  -4.221
  121   1HB   PHE  14          1HB       PHE  14  -0.859   5.063  -1.604
  122   2HB   PHE  14          2HB       PHE  14   0.633   5.982  -1.598
  123    HD1  PHE  14           HD1      PHE  14  -1.141   7.347  -0.125
  124    HD2  PHE  14           HD2      PHE  14  -1.169   7.088  -4.360
  125    HE1  PHE  14           HE1      PHE  14  -2.455   9.482  -0.247
  126    HE2  PHE  14           HE2      PHE  14  -2.483   9.222  -4.482
  127    HZ   PHE  14           HZ       PHE  14  -3.111  10.393  -2.424
  128    H    VAL  15           H        VAL  15  -0.364   2.710  -3.050
  129    HA   VAL  15           HA       VAL  15   2.424   2.124  -2.488
  130    HB   VAL  15           HB       VAL  15   1.388  -0.144  -1.932
  131   1HG1  VAL  15          1HG1      VAL  15   0.230   0.956   0.183
  132   2HG1  VAL  15          2HG1      VAL  15   1.992   1.037  -0.053
  133   3HG1  VAL  15          3HG1      VAL  15   0.973   2.437  -0.468
  134   1HG2  VAL  15          1HG2      VAL  15  -1.240   1.140  -1.526
  135   2HG2  VAL  15          2HG2      VAL  15  -0.817   0.822  -3.225
  136   3HG2  VAL  15          3HG2      VAL  15  -0.835  -0.513  -2.047
  137    H    ALA  16           H        ALA  16   0.075   1.941  -5.065
  138    HA   ALA  16           HA       ALA  16   1.437  -0.215  -6.415
  139   1HB   ALA  16          1HB       ALA  16  -0.867   1.628  -7.165
  140   2HB   ALA  16          2HB       ALA  16  -0.266   0.305  -8.194
  141   3HB   ALA  16          3HB       ALA  16  -0.975  -0.057  -6.602
  142    H    MET  17           H        MET  17   1.289   3.356  -6.414
  143    HA   MET  17           HA       MET  17   2.669   3.620  -8.854
  144   1HB   MET  17          1HB       MET  17   1.213   5.284  -7.206
  145   2HB   MET  17          2HB       MET  17   2.835   5.779  -6.763
  146   1HG   MET  17          1HG       MET  17   3.141   6.886  -8.735
  147   2HG   MET  17          2HG       MET  17   2.580   5.520  -9.678
  148   1HE   MET  17          1HE       MET  17  -0.900   5.790 -10.290
  149   2HE   MET  17          2HE       MET  17   0.340   4.708  -9.613
  150   3HE   MET  17          3HE       MET  17  -0.902   5.413  -8.551
  151    H    TRP  18           H        TRP  18   3.607   3.245  -5.443
  152    HA   TRP  18           HA       TRP  18   6.308   4.090  -5.876
  153   1HB   TRP  18          1HB       TRP  18   5.879   4.447  -3.711
  154   2HB   TRP  18          2HB       TRP  18   4.633   3.217  -3.632
  155    HD1  TRP  18           HD1      TRP  18   8.423   2.640  -4.392
  156    HE1  TRP  18           HE1      TRP  18   9.462   0.936  -2.663
  157    HE3  TRP  18           HE3      TRP  18   4.231   2.150  -1.555
  158    HZ2  TRP  18           HZ2      TRP  18   8.436  -0.395  -0.357
  159    HZ3  TRP  18           HZ3      TRP  18   4.334   0.628   0.417
  160    HH2  TRP  18           HH2      TRP  18   6.344  -0.620   1.032
  161    H    SER  19           H        SER  19   4.426   1.023  -5.714
  162    HA   SER  19           HA       SER  19   6.635  -0.658  -5.763
  163   1HB   SER  19          1HB       SER  19   3.725  -0.875  -5.980
  164   2HB   SER  19          2HB       SER  19   4.510  -2.000  -7.071
  165    HG   SER  19           HG       SER  19   5.266  -1.751  -4.291
  166    H    ASP  20           H        ASP  20   5.159   1.363  -8.188
  167    HA   ASP  20           HA       ASP  20   6.048  -0.235 -10.377
  168   1HB   ASP  20          1HB       ASP  20   4.178   1.838  -9.997
  169   2HB   ASP  20          2HB       ASP  20   5.440   2.595 -10.951
  170    HD2  ASP  20           HD2      ASP  20   5.942   1.526 -12.921
  171    H    VAL  21           H        VAL  21   6.959   2.772  -8.600
  172    HA   VAL  21           HA       VAL  21   9.049   3.502 -10.361
  173    HB   VAL  21           HB       VAL  21   8.303   4.240  -7.533
  174   1HG1  VAL  21          1HG1      VAL  21   9.947   6.226  -8.090
  175   2HG1  VAL  21          2HG1      VAL  21  10.559   4.702  -7.403
  176   3HG1  VAL  21          3HG1      VAL  21  10.710   5.015  -9.148
  177   1HG2  VAL  21          1HG2      VAL  21   6.865   5.603  -8.555
  178   2HG2  VAL  21          2HG2      VAL  21   8.241   6.448  -9.306
  179   3HG2  VAL  21          3HG2      VAL  21   7.459   5.091 -10.152
  180    H    GLY  22           H        GLY  22   8.684   1.131  -7.803
  181   1HA   GLY  22          1HA       GLY  22  11.173   0.861  -6.730
  182   2HA   GLY  22          2HA       GLY  22  10.099  -0.475  -7.097
  183    H    LEU  23           H        LEU  23  10.131   0.188 -10.073
  184    HA   LEU  23           HA       LEU  23  12.896  -0.603 -10.649
  185   1HB   LEU  23          1HB       LEU  23  12.163  -2.269 -12.180
  186   2HB   LEU  23          2HB       LEU  23  11.446  -2.580 -10.611
  187    HG   LEU  23           HG       LEU  23   9.634  -0.974 -12.174
  188   1HD1  LEU  23          1HD1      LEU  23   9.308  -3.201 -13.729
  189   2HD1  LEU  23          2HD1      LEU  23  10.092  -1.689 -14.246
  190   3HD1  LEU  23          3HD1      LEU  23  11.081  -3.052 -13.668
  191   1HD2  LEU  23          1HD2      LEU  23   9.443  -3.832 -11.185
  192   2HD2  LEU  23          2HD2      LEU  23   9.025  -2.374 -10.254
  193   3HD2  LEU  23          3HD2      LEU  23   8.091  -2.801 -11.709
  194    H    CYS  24           H        CYS  24  13.102   1.761 -11.032
  195    HA   CYS  24           HA       CYS  24  13.059   2.352 -13.697
  196   1HB   CYS  24          1HB       CYS  24  10.432   2.467 -12.835
  197   2HB   CYS  24          2HB       CYS  24  10.939   4.140 -12.722
  198    HG   CYS  24           HG       CYS  24  10.297   2.265 -15.198
  199    H    LYS  25           H        LYS  25  12.650   3.450 -10.310
  200    HA   LYS  25           HA       LYS  25  14.351   5.761 -10.897
  201   1HB   LYS  25          1HB       LYS  25  12.151   6.209  -9.856
  202   2HB   LYS  25          2HB       LYS  25  12.591   5.200  -8.492
  203   1HG   LYS  25          1HG       LYS  25  14.142   6.736  -7.663
  204   2HG   LYS  25          2HG       LYS  25  14.525   7.376  -9.249
  205   1HD   LYS  25          1HD       LYS  25  11.748   7.808  -8.122
  206   2HD   LYS  25          2HD       LYS  25  13.068   8.800  -7.534
  207   1HE   LYS  25          1HE       LYS  25  13.460   9.780  -9.660
  208   2HE   LYS  25          2HE       LYS  25  12.681   8.468 -10.522
  209   1HZ   LYS  25          1HZ       LYS  25  10.777   9.625 -10.429
  210   2HZ   LYS  25          2HZ       LYS  25  10.785   9.622  -8.801
  211    H    LYS  26           H        LYS  26  14.211   2.603  -9.391
  212    HA   LYS  26           HA       LYS  26  16.549   3.147  -7.766
  213   1HB   LYS  26          1HB       LYS  26  14.538   0.947  -7.988
  214   2HB   LYS  26          2HB       LYS  26  16.132   0.538  -7.386
  215   1HG   LYS  26          1HG       LYS  26  15.834   1.691  -5.421
  216   2HG   LYS  26          2HG       LYS  26  15.017   3.026  -6.206
  217   1HD   LYS  26          1HD       LYS  26  13.238   0.829  -6.466
  218   2HD   LYS  26          2HD       LYS  26  13.869   0.706  -4.836
  219   1HE   LYS  26          1HE       LYS  26  13.013   3.435  -5.792
  220   2HE   LYS  26          2HE       LYS  26  11.752   2.271  -5.434
  221   1HZ   LYS  26          1HZ       LYS  26  12.361   3.559  -3.459
  222   2HZ   LYS  26          2HZ       LYS  26  12.722   1.991  -3.211
  223    H    ARG  27           H        ARG  27  16.268  -0.010  -9.252
  224    HA   ARG  27           HA       ARG  27  18.564   0.702 -10.894
  225   1HB   ARG  27          1HB       ARG  27  18.050  -1.529  -9.029
  226   2HB   ARG  27          2HB       ARG  27  18.568  -2.104 -10.602
  227   1HG   ARG  27          1HG       ARG  27  20.693  -1.263 -10.359
  228   2HG   ARG  27          2HG       ARG  27  20.133   0.218  -9.608
  229   1HD   ARG  27          1HD       ARG  27  19.544  -1.474  -7.580
  230   2HD   ARG  27          2HD       ARG  27  20.815  -2.423  -8.327
  231    HE   ARG  27           HE       ARG  27  21.138   0.111  -6.904
  232   1HH1  ARG  27          1HH1      ARG  27  22.582  -2.019  -9.338
  233   2HH1  ARG  27          2HH1      ARG  27  24.183  -1.398  -9.113
  234   1HH2  ARG  27          1HH2      ARG  27  24.552   0.337  -7.501
  235    HA   PRO  28           HA       PRO  28  15.458  -0.532 -13.880
  236   1HB   PRO  28          1HB       PRO  28  16.300   1.097 -15.905
  237   2HB   PRO  28          2HB       PRO  28  15.108   1.584 -14.716
  238   1HG   PRO  28          1HG       PRO  28  17.947   2.380 -14.928
  239   2HG   PRO  28          2HG       PRO  28  16.653   3.157 -14.037
  240   1HD   PRO  28          1HD       PRO  28  18.740   1.513 -12.953
  241   2HD   PRO  28          2HD       PRO  28  17.381   2.194 -12.080
  242    H    LYS  29           H        LYS  29  15.828  -0.937 -16.495
  243    HA   LYS  29           HA       LYS  29  18.305  -1.954 -17.190
  244   1HB   LYS  29          1HB       LYS  29  17.340  -3.557 -15.227
  245   2HB   LYS  29          2HB       LYS  29  16.636  -4.343 -16.626
  246   1HG   LYS  29          1HG       LYS  29  19.108  -4.029 -17.629
  247   2HG   LYS  29          2HG       LYS  29  19.548  -3.953 -15.934
  248   1HD   LYS  29          1HD       LYS  29  19.593  -6.233 -16.027
  249   2HD   LYS  29          2HD       LYS  29  17.846  -6.135 -15.943
  250   1HE   LYS  29          1HE       LYS  29  18.194  -7.478 -17.856
  251   2HE   LYS  29          2HE       LYS  29  17.925  -5.890 -18.549
  252   1HZ   LYS  29          1HZ       LYS  29  20.692  -6.541 -17.892
  253   2HZ   LYS  29          2HZ       LYS  29  20.053  -7.356 -19.148
  254    HA   PRO  30           HA       PRO  30  15.351  -1.527 -20.496
  255   1HB   PRO  30          1HB       PRO  30  17.014  -0.224 -22.230
  256   2HB   PRO  30          2HB       PRO  30  15.970   0.608 -21.096
  257   1HG   PRO  30          1HG       PRO  30  18.895   0.204 -20.967
  258   2HG   PRO  30          2HG       PRO  30  17.908   1.365 -20.101
  259   1HD   PRO  30          1HD       PRO  30  19.026  -1.058 -19.051
  260   2HD   PRO  30          2HD       PRO  30  17.945   0.043 -18.221
  Start of MODEL    6
    1   1H    MET   1           H1       MET   1 -18.086  10.102   4.630
    2    HA   MET   1           HA       MET   1 -19.214  10.249   2.624
    3   1HB   MET   1          1HB       MET   1 -16.355  10.607   2.778
    4   2HB   MET   1          2HB       MET   1 -16.687   9.952   1.187
    5   1HG   MET   1          1HG       MET   1 -17.297  12.039   0.529
    6   2HG   MET   1          2HG       MET   1 -18.703  11.899   1.566
    7   1HE   MET   1          1HE       MET   1 -14.874  14.047   1.908
    8   2HE   MET   1          2HE       MET   1 -15.822  13.404   0.546
    9   3HE   MET   1          3HE       MET   1 -16.258  14.969   1.273
   10    H    VAL   2           H        VAL   2 -18.978   9.523   0.108
   11    HA   VAL   2           HA       VAL   2 -19.381   7.922  -1.360
   12    HB   VAL   2           HB       VAL   2 -17.379   6.437   0.348
   13   1HG1  VAL   2          1HG1      VAL   2 -17.458   4.642  -1.004
   14   2HG1  VAL   2          2HG1      VAL   2 -19.065   5.249  -1.469
   15   3HG1  VAL   2          3HG1      VAL   2 -17.646   5.633  -2.471
   16   1HG2  VAL   2          1HG2      VAL   2 -15.746   7.487  -0.793
   17   2HG2  VAL   2          2HG2      VAL   2 -16.619   7.374  -2.341
   18   3HG2  VAL   2          3HG2      VAL   2 -17.007   8.678  -1.194
   19    H    LYS   3           H        LYS   3 -18.834   5.212   0.781
   20    HA   LYS   3           HA       LYS   3 -21.048   4.938   2.241
   21   1HB   LYS   3          1HB       LYS   3 -22.680   5.312   0.668
   22   2HB   LYS   3          2HB       LYS   3 -21.742   4.634  -0.648
   23   1HG   LYS   3          1HG       LYS   3 -22.399   2.458  -0.193
   24   2HG   LYS   3          2HG       LYS   3 -22.471   2.722   1.537
   25   1HD   LYS   3          1HD       LYS   3 -24.479   4.327   0.088
   26   2HD   LYS   3          2HD       LYS   3 -24.663   2.611  -0.216
   27   1HE   LYS   3          1HE       LYS   3 -24.471   2.305   2.365
   28   2HE   LYS   3          2HE       LYS   3 -24.700   4.038   2.474
   29   1HZ   LYS   3          1HZ       LYS   3 -26.829   3.836   1.425
   30   2HZ   LYS   3          2HZ       LYS   3 -26.594   2.277   1.019
   31    H    SER   4           H        SER   4 -18.807   3.546  -0.121
   32    HA   SER   4           HA       SER   4 -18.960   1.030   1.331
   33   1HB   SER   4          1HB       SER   4 -17.893   1.762  -1.421
   34   2HB   SER   4          2HB       SER   4 -17.514   0.225  -0.669
   35    HG   SER   4           HG       SER   4 -20.235   1.149  -0.959
   36    H    LYS   5           H        LYS   5 -16.185   2.230  -0.601
   37    HA   LYS   5           HA       LYS   5 -14.637   3.407   1.278
   38   1HB   LYS   5          1HB       LYS   5 -14.986   0.618   1.940
   39   2HB   LYS   5          2HB       LYS   5 -13.305   0.926   1.557
   40   1HG   LYS   5          1HG       LYS   5 -13.200   2.760   3.184
   41   2HG   LYS   5          2HG       LYS   5 -14.926   2.666   3.469
   42   1HD   LYS   5          1HD       LYS   5 -13.914   0.028   3.902
   43   2HD   LYS   5          2HD       LYS   5 -12.787   1.114   4.693
   44   1HE   LYS   5          1HE       LYS   5 -14.378   1.896   6.214
   45   2HE   LYS   5          2HE       LYS   5 -15.716   1.665   5.106
   46   1HZ   LYS   5          1HZ       LYS   5 -16.094  -0.245   6.203
   47   2HZ   LYS   5          2HZ       LYS   5 -14.728  -0.868   5.575
   48    H    ILE   6           H        ILE   6 -14.782   4.057  -1.203
   49    HA   ILE   6           HA       ILE   6 -13.035   2.544  -2.893
   50    HB   ILE   6           HB       ILE   6 -14.557   5.122  -3.152
   51   1HG1  ILE   6          1HG1      ILE   6 -14.747   2.555  -4.748
   52   2HG1  ILE   6          2HG1      ILE   6 -15.693   2.863  -3.305
   53   1HG2  ILE   6          1HG2      ILE   6 -12.230   4.221  -4.720
   54   2HG2  ILE   6          2HG2      ILE   6 -13.667   4.641  -5.684
   55   3HG2  ILE   6          3HG2      ILE   6 -12.966   5.835  -4.564
   56   1HD1  ILE   6          1HD1      ILE   6 -16.419   5.080  -4.463
   57   2HD1  ILE   6          2HD1      ILE   6 -15.765   4.354  -5.951
   58   3HD1  ILE   6          3HD1      ILE   6 -17.104   3.560  -5.087
   59    H    GLY   7           H        GLY   7 -12.745   5.080  -0.499
   60   1HA   GLY   7          1HA       GLY   7 -10.560   6.520  -1.339
   61   2HA   GLY   7          2HA       GLY   7 -10.934   6.128   0.328
   62    H    SER   8           H        SER   8 -10.757   3.118  -0.366
   63    HA   SER   8           HA       SER   8  -8.132   2.800   0.446
   64   1HB   SER   8          1HB       SER   8 -10.334   1.201   0.366
   65   2HB   SER   8          2HB       SER   8  -9.466   0.545  -1.008
   66    HG   SER   8           HG       SER   8  -8.278  -0.529   0.400
   67    H    TRP   9           H        TRP   9  -9.534   3.394  -2.682
   68    HA   TRP   9           HA       TRP   9  -7.680   2.033  -4.296
   69   1HB   TRP   9          1HB       TRP   9  -9.637   4.262  -4.688
   70   2HB   TRP   9          2HB       TRP   9  -8.447   3.943  -5.935
   71    HD1  TRP   9           HD1      TRP   9 -11.568   2.373  -4.337
   72    HE1  TRP   9           HE1      TRP   9 -12.485   0.364  -5.782
   73    HE3  TRP   9           HE3      TRP   9  -7.622   2.190  -7.538
   74    HZ2  TRP   9           HZ2      TRP   9 -11.479  -1.044  -8.052
   75    HZ3  TRP   9           HZ3      TRP   9  -7.668   0.469  -9.341
   76    HH2  TRP   9           HH2      TRP   9  -9.510  -1.113  -9.626
   77    H    ILE  10           H        ILE  10  -7.959   5.579  -3.493
   78    HA   ILE  10           HA       ILE  10  -5.653   6.466  -4.539
   79    HB   ILE  10           HB       ILE  10  -7.229   7.212  -2.120
   80   1HG1  ILE  10          1HG1      ILE  10  -7.751   7.735  -4.620
   81   2HG1  ILE  10          2HG1      ILE  10  -7.974   8.974  -3.401
   82   1HG2  ILE  10          1HG2      ILE  10  -4.902   7.591  -1.438
   83   2HG2  ILE  10          2HG2      ILE  10  -4.632   8.563  -2.904
   84   3HG2  ILE  10          3HG2      ILE  10  -5.785   9.120  -1.668
   85   1HD1  ILE  10          1HD1      ILE  10  -6.673   9.584  -5.594
   86   2HD1  ILE  10          2HD1      ILE  10  -6.023  10.151  -4.035
   87   3HD1  ILE  10          3HD1      ILE  10  -5.312   8.726  -4.832
   88    H    LEU  11           H        LEU  11  -6.047   4.751  -1.388
   89    HA   LEU  11           HA       LEU  11  -3.343   4.984  -0.657
   90   1HB   LEU  11          1HB       LEU  11  -5.749   3.939   0.407
   91   2HB   LEU  11          2HB       LEU  11  -4.580   2.633   0.427
   92    HG   LEU  11           HG       LEU  11  -4.629   3.901   2.533
   93   1HD1  LEU  11          1HD1      LEU  11  -2.586   2.967   2.519
   94   2HD1  LEU  11          2HD1      LEU  11  -2.212   3.546   0.877
   95   3HD1  LEU  11          3HD1      LEU  11  -2.024   4.637   2.271
   96   1HD2  LEU  11          1HD2      LEU  11  -4.895   6.138   0.954
   97   2HD2  LEU  11          2HD2      LEU  11  -4.547   6.127   2.699
   98   3HD2  LEU  11          3HD2      LEU  11  -3.214   6.261   1.526
   99    H    VAL  12           H        VAL  12  -5.222   2.252  -2.143
  100    HA   VAL  12           HA       VAL  12  -3.043   0.566  -2.463
  101    HB   VAL  12           HB       VAL  12  -5.649   0.862  -3.958
  102   1HG1  VAL  12          1HG1      VAL  12  -3.376  -1.042  -4.376
  103   2HG1  VAL  12          2HG1      VAL  12  -5.039  -1.663  -4.508
  104   3HG1  VAL  12          3HG1      VAL  12  -4.503  -0.327  -5.554
  105   1HG2  VAL  12          1HG2      VAL  12  -6.578  -0.457  -2.384
  106   2HG2  VAL  12          2HG2      VAL  12  -5.142  -1.504  -2.271
  107   3HG2  VAL  12          3HG2      VAL  12  -5.190   0.040  -1.387
  108    H    LEU  13           H        LEU  13  -3.826   3.565  -4.015
  109    HA   LEU  13           HA       LEU  13  -2.376   2.941  -6.428
  110   1HB   LEU  13          1HB       LEU  13  -3.648   5.471  -5.380
  111   2HB   LEU  13          2HB       LEU  13  -2.815   5.357  -6.918
  112    HG   LEU  13           HG       LEU  13  -5.509   4.443  -6.142
  113   1HD1  LEU  13          1HD1      LEU  13  -6.017   4.968  -8.449
  114   2HD1  LEU  13          2HD1      LEU  13  -5.061   6.284  -7.726
  115   3HD1  LEU  13          3HD1      LEU  13  -4.285   5.122  -8.830
  116   1HD2  LEU  13          1HD2      LEU  13  -3.750   2.699  -7.884
  117   2HD2  LEU  13          2HD2      LEU  13  -4.569   2.249  -6.369
  118   3HD2  LEU  13          3HD2      LEU  13  -5.526   2.601  -7.828
  119    H    PHE  14           H        PHE  14  -1.943   4.914  -3.431
  120    HA   PHE  14           HA       PHE  14   0.501   6.017  -4.118
  121   1HB   PHE  14          1HB       PHE  14  -0.777   5.102  -1.476
  122   2HB   PHE  14          2HB       PHE  14   0.693   6.054  -1.512
  123    HD1  PHE  14           HD1      PHE  14  -0.981   7.440  -0.003
  124    HD2  PHE  14           HD2      PHE  14  -1.296   7.055  -4.217
  125    HE1  PHE  14           HE1      PHE  14  -2.347   9.544  -0.092
  126    HE2  PHE  14           HE2      PHE  14  -2.662   9.159  -4.307
  127    HZ   PHE  14           HZ       PHE  14  -3.171  10.378  -2.243
  128    H    VAL  15           H        VAL  15  -0.362   2.764  -2.981
  129    HA   VAL  15           HA       VAL  15   2.427   2.142  -2.455
  130    HB   VAL  15           HB       VAL  15   1.371  -0.117  -1.895
  131   1HG1  VAL  15          1HG1      VAL  15   2.070   1.151  -0.067
  132   2HG1  VAL  15          2HG1      VAL  15   0.894   2.449  -0.387
  133   3HG1  VAL  15          3HG1      VAL  15   0.342   0.890   0.272
  134   1HG2  VAL  15          1HG2      VAL  15  -0.841   0.881  -3.146
  135   2HG2  VAL  15          2HG2      VAL  15  -0.860  -0.452  -1.967
  136   3HG2  VAL  15          3HG2      VAL  15  -1.233   1.207  -1.440
  137    H    ALA  16           H        ALA  16   0.056   2.034  -5.005
  138    HA   ALA  16           HA       ALA  16   1.366  -0.140  -6.387
  139   1HB   ALA  16          1HB       ALA  16  -0.362   0.402  -8.131
  140   2HB   ALA  16          2HB       ALA  16  -1.050   0.044  -6.529
  141   3HB   ALA  16          3HB       ALA  16  -0.932   1.728  -7.090
  142    H    MET  17           H        MET  17   1.251   3.431  -6.357
  143    HA   MET  17           HA       MET  17   2.567   3.721  -8.820
  144   1HB   MET  17          1HB       MET  17   1.144   5.433  -7.451
  145   2HB   MET  17          2HB       MET  17   2.575   5.686  -6.471
  146   1HG   MET  17          1HG       MET  17   3.781   6.080  -8.805
  147   2HG   MET  17          2HG       MET  17   2.154   6.341  -9.403
  148   1HE   MET  17          1HE       MET  17   5.121   7.604  -7.562
  149   2HE   MET  17          2HE       MET  17   4.571   8.972  -6.566
  150   3HE   MET  17          3HE       MET  17   4.208   7.303  -6.063
  151    H    TRP  18           H        TRP  18   3.621   3.291  -5.443
  152    HA   TRP  18           HA       TRP  18   6.333   4.038  -6.000
  153   1HB   TRP  18          1HB       TRP  18   6.007   4.453  -3.825
  154   2HB   TRP  18          2HB       TRP  18   4.721   3.273  -3.670
  155    HD1  TRP  18           HD1      TRP  18   8.435   2.504  -4.599
  156    HE1  TRP  18           HE1      TRP  18   9.489   0.810  -2.871
  157    HE3  TRP  18           HE3      TRP  18   4.393   2.313  -1.519
  158    HZ2  TRP  18           HZ2      TRP  18   8.537  -0.392  -0.465
  159    HZ3  TRP  18           HZ3      TRP  18   4.538   0.855   0.498
  160    HH2  TRP  18           HH2      TRP  18   6.518  -0.469   1.045
  161    H    SER  19           H        SER  19   4.328   1.062  -5.739
  162    HA   SER  19           HA       SER  19   6.464  -0.715  -5.824
  163   1HB   SER  19          1HB       SER  19   3.504  -0.837  -6.186
  164   2HB   SER  19          2HB       SER  19   4.400  -2.145  -6.930
  165    HG   SER  19           HG       SER  19   4.352  -2.994  -4.959
  166    H    ASP  20           H        ASP  20   5.043   1.359  -8.218
  167    HA   ASP  20           HA       ASP  20   5.724  -0.311 -10.424
  168   1HB   ASP  20          1HB       ASP  20   3.817   1.318 -10.467
  169   2HB   ASP  20          2HB       ASP  20   4.951   2.643 -10.299
  170    HD2  ASP  20           HD2      ASP  20   6.535   2.728 -12.031
  171    H    VAL  21           H        VAL  21   6.930   2.661  -8.748
  172    HA   VAL  21           HA       VAL  21   8.983   3.257 -10.553
  173    HB   VAL  21           HB       VAL  21   8.446   3.878  -7.657
  174   1HG1  VAL  21          1HG1      VAL  21  10.742   5.003  -9.295
  175   2HG1  VAL  21          2HG1      VAL  21  10.326   5.393  -7.608
  176   3HG1  VAL  21          3HG1      VAL  21  10.915   3.766  -8.027
  177   1HG2  VAL  21          1HG2      VAL  21   8.191   5.337 -10.282
  178   2HG2  VAL  21          2HG2      VAL  21   6.985   5.108  -8.993
  179   3HG2  VAL  21          3HG2      VAL  21   8.340   6.237  -8.753
  180    H    GLY  22           H        GLY  22   8.587   0.741  -8.151
  181   1HA   GLY  22          1HA       GLY  22  11.234   0.240  -7.435
  182   2HA   GLY  22          2HA       GLY  22   9.931  -0.931  -7.482
  183    H    LEU  23           H        LEU  23   9.238  -1.227 -10.105
  184    HA   LEU  23           HA       LEU  23  11.732  -2.238 -11.250
  185   1HB   LEU  23          1HB       LEU  23   8.836  -2.995 -11.566
  186   2HB   LEU  23          2HB       LEU  23  10.056  -3.522 -12.709
  187    HG   LEU  23           HG       LEU  23  10.282  -4.059  -9.742
  188   1HD1  LEU  23          1HD1      LEU  23   8.150  -4.984 -10.674
  189   2HD1  LEU  23          2HD1      LEU  23   9.129  -5.959 -11.797
  190   3HD1  LEU  23          3HD1      LEU  23   9.278  -6.206 -10.040
  191   1HD2  LEU  23          1HD2      LEU  23  12.343  -4.620 -10.428
  192   2HD2  LEU  23          2HD2      LEU  23  11.550  -6.092 -11.039
  193   3HD2  LEU  23          3HD2      LEU  23  11.860  -4.726 -12.138
  194    H    CYS  24           H        CYS  24  11.893   0.349 -11.560
  195    HA   CYS  24           HA       CYS  24  10.905   0.797 -14.280
  196   1HB   CYS  24          1HB       CYS  24   9.660   2.168 -12.580
  197   2HB   CYS  24          2HB       CYS  24  11.171   2.948 -12.158
  198    HG   CYS  24           HG       CYS  24   9.919   2.689 -15.214
  199    H    LYS  25           H        LYS  25  12.847   0.248 -15.334
  200    HA   LYS  25           HA       LYS  25  14.947   0.399 -15.999
  201   1HB   LYS  25          1HB       LYS  25  14.060   3.089 -15.510
  202   2HB   LYS  25          2HB       LYS  25  15.765   2.979 -15.126
  203   1HG   LYS  25          1HG       LYS  25  14.813   1.650 -17.660
  204   2HG   LYS  25          2HG       LYS  25  14.899   3.400 -17.643
  205   1HD   LYS  25          1HD       LYS  25  17.269   1.843 -16.599
  206   2HD   LYS  25          2HD       LYS  25  17.018   1.908 -18.332
  207   1HE   LYS  25          1HE       LYS  25  17.403   4.212 -18.453
  208   2HE   LYS  25          2HE       LYS  25  16.833   4.507 -16.823
  209   1HZ   LYS  25          1HZ       LYS  25  18.986   4.486 -16.221
  210   2HZ   LYS  25          2HZ       LYS  25  19.059   2.891 -16.542
  211    H    LYS  26           H        LYS  26  14.923  -1.216 -13.968
  212    HA   LYS  26           HA       LYS  26  15.885  -1.933 -12.087
  213   1HB   LYS  26          1HB       LYS  26  17.740  -1.530 -14.088
  214   2HB   LYS  26          2HB       LYS  26  18.501  -0.743 -12.721
  215   1HG   LYS  26          1HG       LYS  26  17.451  -3.123 -11.629
  216   2HG   LYS  26          2HG       LYS  26  18.048  -3.610 -13.203
  217   1HD   LYS  26          1HD       LYS  26  19.790  -1.854 -11.458
  218   2HD   LYS  26          2HD       LYS  26  19.674  -3.563 -11.090
  219   1HE   LYS  26          1HE       LYS  26  20.648  -4.216 -13.148
  220   2HE   LYS  26          2HE       LYS  26  20.234  -2.710 -13.942
  221   1HZ   LYS  26          1HZ       LYS  26  22.396  -3.170 -11.981
  222   2HZ   LYS  26          2HZ       LYS  26  22.515  -2.526 -13.471
  223    H    ARG  27           H        ARG  27  14.725  -0.723 -10.517
  224    HA   ARG  27           HA       ARG  27  16.200   1.605  -9.580
  225   1HB   ARG  27          1HB       ARG  27  13.686   1.760 -10.381
  226   2HB   ARG  27          2HB       ARG  27  13.311   1.002  -8.846
  227   1HG   ARG  27          1HG       ARG  27  15.190   3.337  -8.738
  228   2HG   ARG  27          2HG       ARG  27  13.531   3.703  -9.168
  229   1HD   ARG  27          1HD       ARG  27  12.795   3.352  -7.037
  230   2HD   ARG  27          2HD       ARG  27  13.642   1.823  -6.912
  231    HE   ARG  27           HE       ARG  27  15.708   3.612  -6.712
  232   1HH1  ARG  27          1HH1      ARG  27  12.586   3.424  -5.049
  233   2HH1  ARG  27          2HH1      ARG  27  13.169   4.182  -3.604
  234   1HH2  ARG  27          1HH2      ARG  27  15.461   4.873  -3.485
  235    HA   PRO  28           HA       PRO  28  16.762  -1.353  -6.268
  236   1HB   PRO  28          1HB       PRO  28  19.185  -0.418  -5.417
  237   2HB   PRO  28          2HB       PRO  28  19.014  -1.659  -6.642
  238   1HG   PRO  28          1HG       PRO  28  19.731   1.190  -6.976
  239   2HG   PRO  28          2HG       PRO  28  19.964  -0.140  -8.094
  240   1HD   PRO  28          1HD       PRO  28  17.944   1.891  -8.241
  241   2HD   PRO  28          2HD       PRO  28  18.107   0.498  -9.290
  242    H    LYS  29           H        LYS  29  17.184  -1.187  -3.851
  243    HA   LYS  29           HA       LYS  29  16.626  -0.271  -1.922
  244   1HB   LYS  29          1HB       LYS  29  18.278   1.503  -2.849
  245   2HB   LYS  29          2HB       LYS  29  16.854   2.489  -3.115
  246   1HG   LYS  29          1HG       LYS  29  17.304   3.149  -0.947
  247   2HG   LYS  29          2HG       LYS  29  16.310   1.754  -0.578
  248   1HD   LYS  29          1HD       LYS  29  19.068   0.906  -1.006
  249   2HD   LYS  29          2HD       LYS  29  19.027   2.199   0.175
  250   1HE   LYS  29          1HE       LYS  29  17.758   0.962   1.705
  251   2HE   LYS  29          2HE       LYS  29  16.974   0.013   0.459
  252   1HZ   LYS  29          1HZ       LYS  29  19.809  -0.288   1.298
  253   2HZ   LYS  29          2HZ       LYS  29  18.603  -1.324   1.650
  254    HA   PRO  30           HA       PRO  30  12.367   0.168  -3.163
  255   1HB   PRO  30          1HB       PRO  30  11.349  -1.698  -1.444
  256   2HB   PRO  30          2HB       PRO  30  11.851  -2.075  -3.081
  257   1HG   PRO  30          1HG       PRO  30  13.222  -2.683  -0.533
  258   2HG   PRO  30          2HG       PRO  30  13.471  -3.400  -2.113
  259   1HD   PRO  30          1HD       PRO  30  15.145  -1.458  -0.828
  260   2HD   PRO  30          2HD       PRO  30  15.328  -2.090  -2.453
  Start of MODEL    7
    1   1H    MET   1           H1       MET   1 -10.900  -7.632   2.163
    2    HA   MET   1           HA       MET   1  -9.067  -6.365   1.215
    3   1HB   MET   1          1HB       MET   1  -9.561  -5.279  -1.040
    4   2HB   MET   1          2HB       MET   1  -9.384  -7.020  -1.131
    5   1HG   MET   1          1HG       MET   1 -12.131  -6.633  -0.574
    6   2HG   MET   1          2HG       MET   1 -11.742  -5.359  -1.713
    7   1HE   MET   1          1HE       MET   1 -13.416  -8.121  -3.826
    8   2HE   MET   1          2HE       MET   1 -13.440  -8.657  -2.129
    9   3HE   MET   1          3HE       MET   1 -13.725  -6.946  -2.526
   10    H    VAL   2           H        VAL   2 -10.031  -5.422   3.221
   11    HA   VAL   2           HA       VAL   2 -10.897  -3.717   4.329
   12    HB   VAL   2           HB       VAL   2 -11.255  -2.380   1.642
   13   1HG1  VAL   2          1HG1      VAL   2 -11.267  -1.433   4.493
   14   2HG1  VAL   2          2HG1      VAL   2 -10.681  -0.347   3.210
   15   3HG1  VAL   2          3HG1      VAL   2 -12.338  -0.992   3.141
   16   1HG2  VAL   2          1HG2      VAL   2  -8.834  -3.202   3.006
   17   2HG2  VAL   2          2HG2      VAL   2  -9.036  -2.446   1.408
   18   3HG2  VAL   2          3HG2      VAL   2  -8.906  -1.430   2.862
   19    H    LYS   3           H        LYS   3 -13.012  -2.398   4.643
   20    HA   LYS   3           HA       LYS   3 -15.234  -3.780   3.329
   21   1HB   LYS   3          1HB       LYS   3 -14.466  -3.928   6.145
   22   2HB   LYS   3          2HB       LYS   3 -16.103  -3.338   5.939
   23   1HG   LYS   3          1HG       LYS   3 -16.413  -5.674   5.962
   24   2HG   LYS   3          2HG       LYS   3 -16.389  -5.321   4.247
   25   1HD   LYS   3          1HD       LYS   3 -14.724  -6.855   4.063
   26   2HD   LYS   3          2HD       LYS   3 -13.676  -5.690   4.847
   27   1HE   LYS   3          1HE       LYS   3 -14.045  -6.654   7.024
   28   2HE   LYS   3          2HE       LYS   3 -15.432  -7.572   6.472
   29   1HZ   LYS   3          1HZ       LYS   3 -13.590  -9.062   6.559
   30   2HZ   LYS   3          2HZ       LYS   3 -13.831  -8.789   4.972
   31    H    SER   4           H        SER   4 -15.041  -1.737   2.018
   32    HA   SER   4           HA       SER   4 -17.026  -0.058   2.453
   33   1HB   SER   4          1HB       SER   4 -14.789   0.646   4.253
   34   2HB   SER   4          2HB       SER   4 -15.312   1.992   3.260
   35    HG   SER   4           HG       SER   4 -17.283   2.015   4.218
   36    H    LYS   5           H        LYS   5 -13.674  -0.553   1.450
   37    HA   LYS   5           HA       LYS   5 -12.458   0.257  -0.230
   38   1HB   LYS   5          1HB       LYS   5 -14.763  -1.021  -1.182
   39   2HB   LYS   5          2HB       LYS   5 -14.608   0.408  -2.185
   40   1HG   LYS   5          1HG       LYS   5 -12.533  -0.242  -3.053
   41   2HG   LYS   5          2HG       LYS   5 -12.103  -1.173  -1.632
   42   1HD   LYS   5          1HD       LYS   5 -13.986  -2.812  -2.291
   43   2HD   LYS   5          2HD       LYS   5 -14.084  -1.953  -3.814
   44   1HE   LYS   5          1HE       LYS   5 -11.299  -2.622  -3.153
   45   2HE   LYS   5          2HE       LYS   5 -12.306  -4.056  -3.175
   46   1HZ   LYS   5          1HZ       LYS   5 -11.958  -3.910  -5.401
   47   2HZ   LYS   5          2HZ       LYS   5 -13.139  -2.789  -5.396
   48    H    ILE   6           H        ILE   6 -12.303   2.335   1.066
   49    HA   ILE   6           HA       ILE   6 -13.545   4.498  -0.490
   50    HB   ILE   6           HB       ILE   6 -12.953   4.362   2.468
   51   1HG1  ILE   6          1HG1      ILE   6 -15.579   4.698   0.987
   52   2HG1  ILE   6          2HG1      ILE   6 -15.010   3.196   1.689
   53   1HG2  ILE   6          1HG2      ILE   6 -12.648   6.605   0.949
   54   2HG2  ILE   6          2HG2      ILE   6 -14.364   6.721   1.409
   55   3HG2  ILE   6          3HG2      ILE   6 -13.112   6.590   2.667
   56   1HD1  ILE   6          1HD1      ILE   6 -16.604   4.852   3.061
   57   2HD1  ILE   6          2HD1      ILE   6 -15.323   3.923   3.878
   58   3HD1  ILE   6          3HD1      ILE   6 -15.055   5.632   3.460
   59    H    GLY   7           H        GLY   7 -11.232   5.199   2.043
   60   1HA   GLY   7          1HA       GLY   7  -9.467   6.503   0.287
   61   2HA   GLY   7          2HA       GLY   7  -9.172   6.097   1.967
   62    H    SER   8           H        SER   8  -9.665   3.146   1.493
   63    HA   SER   8           HA       SER   8  -7.122   2.320   1.230
   64   1HB   SER   8          1HB       SER   8  -9.691   0.875   0.455
   65   2HB   SER   8          2HB       SER   8  -8.138   0.071   0.567
   66    HG   SER   8           HG       SER   8  -8.054   0.441   2.782
   67    H    TRP   9           H        TRP   9  -9.320   3.402  -1.288
   68    HA   TRP   9           HA       TRP   9  -8.109   2.067  -3.462
   69   1HB   TRP   9          1HB       TRP   9 -10.287   3.838  -3.010
   70   2HB   TRP   9          2HB       TRP   9  -9.279   4.551  -4.254
   71    HD1  TRP   9           HD1      TRP   9 -12.250   2.844  -4.466
   72    HE1  TRP   9           HE1      TRP   9 -12.534   1.090  -6.416
   73    HE3  TRP   9           HE3      TRP   9  -7.281   2.277  -5.387
   74    HZ2  TRP   9           HZ2      TRP   9 -10.690  -0.308  -8.087
   75    HZ3  TRP   9           HZ3      TRP   9  -6.608   0.699  -7.194
   76    HH2  TRP   9           HH2      TRP   9  -8.220  -0.570  -8.523
   77    H    ILE  10           H        ILE  10  -8.071   5.619  -2.673
   78    HA   ILE  10           HA       ILE  10  -6.023   6.378  -4.227
   79    HB   ILE  10           HB       ILE  10  -7.489   7.756  -2.717
   80   1HG1  ILE  10          1HG1      ILE  10  -5.400   9.355  -2.203
   81   2HG1  ILE  10          2HG1      ILE  10  -4.597   8.228  -3.278
   82   1HG2  ILE  10          1HG2      ILE  10  -7.331   6.999  -0.566
   83   2HG2  ILE  10          2HG2      ILE  10  -5.590   6.652  -0.691
   84   3HG2  ILE  10          3HG2      ILE  10  -6.152   8.331  -0.511
   85   1HD1  ILE  10          1HD1      ILE  10  -7.296   9.337  -4.072
   86   2HD1  ILE  10          2HD1      ILE  10  -5.838  10.338  -4.278
   87   3HD1  ILE  10          3HD1      ILE  10  -5.966   8.768  -5.109
   88    H    LEU  11           H        LEU  11  -5.845   4.429  -1.263
   89    HA   LEU  11           HA       LEU  11  -3.062   4.741  -0.889
   90   1HB   LEU  11          1HB       LEU  11  -5.255   3.096   0.207
   91   2HB   LEU  11          2HB       LEU  11  -3.660   2.375   0.297
   92    HG   LEU  11           HG       LEU  11  -4.026   3.492   2.350
   93   1HD1  LEU  11          1HD1      LEU  11  -2.018   4.475   2.493
   94   2HD1  LEU  11          2HD1      LEU  11  -1.861   4.044   0.773
   95   3HD1  LEU  11          3HD1      LEU  11  -2.401   5.676   1.236
   96   1HD2  LEU  11          1HD2      LEU  11  -5.883   4.958   1.384
   97   2HD2  LEU  11          2HD2      LEU  11  -4.861   5.664   2.660
   98   3HD2  LEU  11          3HD2      LEU  11  -4.592   6.109   0.957
   99    H    VAL  12           H        VAL  12  -5.090   2.137  -2.401
  100    HA   VAL  12           HA       VAL  12  -3.071   0.456  -3.146
  101    HB   VAL  12           HB       VAL  12  -5.759   1.150  -4.271
  102   1HG1  VAL  12          1HG1      VAL  12  -4.338   0.610  -6.225
  103   2HG1  VAL  12          2HG1      VAL  12  -3.901  -0.937  -5.460
  104   3HG1  VAL  12          3HG1      VAL  12  -5.588  -0.624  -5.933
  105   1HG2  VAL  12          1HG2      VAL  12  -6.166  -1.266  -3.638
  106   2HG2  VAL  12          2HG2      VAL  12  -4.546  -1.268  -2.902
  107   3HG2  VAL  12          3HG2      VAL  12  -5.802  -0.171  -2.282
  108    H    LEU  13           H        LEU  13  -4.000   3.609  -4.494
  109    HA   LEU  13           HA       LEU  13  -2.500   3.276  -6.891
  110   1HB   LEU  13          1HB       LEU  13  -3.671   5.704  -5.531
  111   2HB   LEU  13          2HB       LEU  13  -2.887   5.733  -7.098
  112    HG   LEU  13           HG       LEU  13  -5.575   5.397  -6.642
  113   1HD1  LEU  13          1HD1      LEU  13  -4.015   5.886  -8.763
  114   2HD1  LEU  13          2HD1      LEU  13  -4.501   4.219  -9.152
  115   3HD1  LEU  13          3HD1      LEU  13  -5.741   5.472  -8.902
  116   1HD2  LEU  13          1HD2      LEU  13  -5.419   3.177  -5.787
  117   2HD2  LEU  13          2HD2      LEU  13  -6.070   3.070  -7.441
  118   3HD2  LEU  13          3HD2      LEU  13  -4.365   2.666  -7.128
  119    H    PHE  14           H        PHE  14  -1.993   5.143  -3.815
  120    HA   PHE  14           HA       PHE  14   0.533   6.063  -4.456
  121   1HB   PHE  14          1HB       PHE  14  -0.751   5.212  -1.791
  122   2HB   PHE  14          2HB       PHE  14   0.681   6.216  -1.896
  123    HD1  PHE  14           HD1      PHE  14  -2.223   6.707  -0.721
  124    HD2  PHE  14           HD2      PHE  14  -0.194   7.935  -4.240
  125    HE1  PHE  14           HE1      PHE  14  -3.669   8.755  -0.840
  126    HE2  PHE  14           HE2      PHE  14  -1.640   9.984  -4.359
  127    HZ   PHE  14           HZ       PHE  14  -3.360  10.369  -2.656
  128    H    VAL  15           H        VAL  15  -0.555   2.938  -3.069
  129    HA   VAL  15           HA       VAL  15   2.162   2.121  -2.560
  130    HB   VAL  15           HB       VAL  15   0.182   1.557  -1.128
  131   1HG1  VAL  15          1HG1      VAL  15  -0.520  -0.678  -2.980
  132   2HG1  VAL  15          2HG1      VAL  15  -1.526   0.193  -1.798
  133   3HG1  VAL  15          3HG1      VAL  15  -1.145   0.943  -3.367
  134   1HG2  VAL  15          1HG2      VAL  15   0.867  -0.871  -0.845
  135   2HG2  VAL  15          2HG2      VAL  15   1.927  -0.649  -2.257
  136   3HG2  VAL  15          3HG2      VAL  15   2.188   0.320  -0.786
  137    H    ALA  16           H        ALA  16   0.129   2.385  -5.274
  138    HA   ALA  16           HA       ALA  16   1.181   0.006  -6.566
  139   1HB   ALA  16          1HB       ALA  16  -1.078   0.301  -7.078
  140   2HB   ALA  16          2HB       ALA  16  -0.934   2.073  -7.165
  141   3HB   ALA  16          3HB       ALA  16  -0.283   1.062  -8.477
  142    H    MET  17           H        MET  17   1.385   3.598  -6.667
  143    HA   MET  17           HA       MET  17   3.044   3.610  -8.940
  144   1HB   MET  17          1HB       MET  17   1.548   5.494  -7.809
  145   2HB   MET  17          2HB       MET  17   2.956   5.792  -6.809
  146   1HG   MET  17          1HG       MET  17   4.132   6.766  -8.528
  147   2HG   MET  17          2HG       MET  17   3.595   5.581  -9.702
  148   1HE   MET  17          1HE       MET  17   1.468   6.734 -11.738
  149   2HE   MET  17          2HE       MET  17   1.571   5.346 -10.628
  150   3HE   MET  17          3HE       MET  17   0.156   6.424 -10.576
  151    H    TRP  18           H        TRP  18   3.567   3.295  -5.445
  152    HA   TRP  18           HA       TRP  18   6.334   3.965  -5.531
  153   1HB   TRP  18          1HB       TRP  18   5.629   4.284  -3.427
  154   2HB   TRP  18          2HB       TRP  18   4.364   3.076  -3.538
  155    HD1  TRP  18           HD1      TRP  18   8.137   2.262  -4.002
  156    HE1  TRP  18           HE1      TRP  18   8.960   0.559  -2.163
  157    HE3  TRP  18           HE3      TRP  18   3.798   2.215  -1.353
  158    HZ2  TRP  18           HZ2      TRP  18   7.732  -0.592   0.142
  159    HZ3  TRP  18           HZ3      TRP  18   3.693   0.774   0.679
  160    HH2  TRP  18           HH2      TRP  18   5.568  -0.596   1.437
  161    H    SER  19           H        SER  19   4.353   0.929  -5.475
  162    HA   SER  19           HA       SER  19   6.515  -0.794  -5.439
  163   1HB   SER  19          1HB       SER  19   3.828  -1.098  -5.240
  164   2HB   SER  19          2HB       SER  19   4.025  -1.603  -6.908
  165    HG   SER  19           HG       SER  19   5.685  -3.135  -6.139
  166    H    ASP  20           H        ASP  20   5.169   1.223  -7.961
  167    HA   ASP  20           HA       ASP  20   6.005  -0.353 -10.130
  168   1HB   ASP  20          1HB       ASP  20   4.797   2.286  -9.657
  169   2HB   ASP  20          2HB       ASP  20   5.965   2.351 -10.962
  170    HD2  ASP  20           HD2      ASP  20   4.207   0.582 -13.177
  171    H    VAL  21           H        VAL  21   7.306   2.511  -8.322
  172    HA   VAL  21           HA       VAL  21   9.512   3.027  -9.898
  173    HB   VAL  21           HB       VAL  21   8.964   3.360  -6.951
  174   1HG1  VAL  21          1HG1      VAL  21  10.894   5.044  -7.073
  175   2HG1  VAL  21          2HG1      VAL  21  11.323   3.317  -7.011
  176   3HG1  VAL  21          3HG1      VAL  21  11.387   4.194  -8.558
  177   1HG2  VAL  21          1HG2      VAL  21   7.819   4.640  -9.031
  178   2HG2  VAL  21          2HG2      VAL  21   8.125   5.412  -7.456
  179   3HG2  VAL  21          3HG2      VAL  21   9.256   5.666  -8.807
  180    H    GLY  22           H        GLY  22   8.801   0.327  -7.780
  181   1HA   GLY  22          1HA       GLY  22  11.379  -0.471  -7.057
  182   2HA   GLY  22          2HA       GLY  22   9.974  -1.505  -7.219
  183    H    LEU  23           H        LEU  23   9.306  -1.551  -9.851
  184    HA   LEU  23           HA       LEU  23  11.798  -2.163 -11.268
  185   1HB   LEU  23          1HB       LEU  23   9.486  -3.950 -10.681
  186   2HB   LEU  23          2HB       LEU  23  10.252  -4.084 -12.250
  187    HG   LEU  23           HG       LEU  23  12.464  -4.371 -11.010
  188   1HD1  LEU  23          1HD1      LEU  23  12.254  -3.728  -8.839
  189   2HD1  LEU  23          2HD1      LEU  23  10.565  -4.276  -8.716
  190   3HD1  LEU  23          3HD1      LEU  23  11.892  -5.459  -8.646
  191   1HD2  LEU  23          1HD2      LEU  23  10.220  -6.335 -11.144
  192   2HD2  LEU  23          2HD2      LEU  23  11.790  -6.321 -11.982
  193   3HD2  LEU  23          3HD2      LEU  23  11.700  -6.798 -10.270
  194    H    CYS  24           H        CYS  24  11.352   0.078 -12.073
  195    HA   CYS  24           HA       CYS  24   9.118   0.114 -13.952
  196   1HB   CYS  24          1HB       CYS  24   9.505   2.573 -14.028
  197   2HB   CYS  24          2HB       CYS  24   9.072   1.981 -12.437
  198    HG   CYS  24           HG       CYS  24  12.200   2.176 -13.466
  199    H    LYS  25           H        LYS  25  12.591  -0.137 -13.586
  200    HA   LYS  25           HA       LYS  25  12.866  -0.364 -16.445
  201   1HB   LYS  25          1HB       LYS  25  13.442   2.116 -15.214
  202   2HB   LYS  25          2HB       LYS  25  14.993   1.368 -15.540
  203   1HG   LYS  25          1HG       LYS  25  13.624   0.808 -17.882
  204   2HG   LYS  25          2HG       LYS  25  12.932   2.357 -17.447
  205   1HD   LYS  25          1HD       LYS  25  15.655   2.765 -16.978
  206   2HD   LYS  25          2HD       LYS  25  15.669   1.714 -18.379
  207   1HE   LYS  25          1HE       LYS  25  13.793   4.094 -18.331
  208   2HE   LYS  25          2HE       LYS  25  15.488   4.347 -18.690
  209   1HZ   LYS  25          1HZ       LYS  25  15.325   3.106 -20.633
  210   2HZ   LYS  25          2HZ       LYS  25  14.041   2.235 -20.142
  211    H    LYS  26           H        LYS  26  12.880  -2.392 -14.600
  212    HA   LYS  26           HA       LYS  26  15.699  -2.847 -13.979
  213   1HB   LYS  26          1HB       LYS  26  13.128  -3.663 -12.797
  214   2HB   LYS  26          2HB       LYS  26  14.293  -4.965 -12.924
  215   1HG   LYS  26          1HG       LYS  26  15.119  -2.256 -11.822
  216   2HG   LYS  26          2HG       LYS  26  14.335  -3.434 -10.790
  217   1HD   LYS  26          1HD       LYS  26  16.325  -4.474 -10.494
  218   2HD   LYS  26          2HD       LYS  26  16.358  -4.869 -12.201
  219   1HE   LYS  26          1HE       LYS  26  17.384  -2.610 -12.674
  220   2HE   LYS  26          2HE       LYS  26  17.411  -2.284 -10.953
  221   1HZ   LYS  26          1HZ       LYS  26  19.236  -3.563 -10.726
  222   2HZ   LYS  26          2HZ       LYS  26  18.613  -4.810 -11.567
  223    H    ARG  27           H        ARG  27  13.214  -3.576 -16.284
  224    HA   ARG  27           HA       ARG  27  13.693  -6.107 -17.003
  225   1HB   ARG  27          1HB       ARG  27  12.470  -3.819 -18.164
  226   2HB   ARG  27          2HB       ARG  27  13.577  -4.400 -19.392
  227   1HG   ARG  27          1HG       ARG  27  12.400  -6.760 -18.440
  228   2HG   ARG  27          2HG       ARG  27  11.074  -5.615 -18.398
  229   1HD   ARG  27          1HD       ARG  27  12.442  -5.161 -20.873
  230   2HD   ARG  27          2HD       ARG  27  12.295  -6.900 -20.706
  231    HE   ARG  27           HE       ARG  27   9.838  -5.365 -20.121
  232   1HH1  ARG  27          1HH1      ARG  27  11.676  -7.200 -22.533
  233   2HH1  ARG  27          2HH1      ARG  27  10.296  -7.505 -23.534
  234   1HH2  ARG  27          1HH2      ARG  27   8.156  -6.653 -22.873
  235    HA   PRO  28           HA       PRO  28  17.429  -4.640 -19.565
  236   1HB   PRO  28          1HB       PRO  28  18.351  -2.082 -19.297
  237   2HB   PRO  28          2HB       PRO  28  17.254  -2.577 -20.570
  238   1HG   PRO  28          1HG       PRO  28  16.674  -1.016 -18.128
  239   2HG   PRO  28          2HG       PRO  28  15.722  -1.156 -19.592
  240   1HD   PRO  28          1HD       PRO  28  15.217  -2.457 -17.086
  241   2HD   PRO  28          2HD       PRO  28  14.334  -2.686 -18.582
  242    H    LYS  29           H        LYS  29  19.336  -5.519 -19.023
  243    HA   LYS  29           HA       LYS  29  20.642  -4.465 -16.689
  244   1HB   LYS  29          1HB       LYS  29  20.612  -6.436 -15.360
  245   2HB   LYS  29          2HB       LYS  29  18.948  -6.064 -15.763
  246   1HG   LYS  29          1HG       LYS  29  19.967  -7.734 -17.869
  247   2HG   LYS  29          2HG       LYS  29  20.453  -8.467 -16.354
  248   1HD   LYS  29          1HD       LYS  29  17.802  -7.705 -15.857
  249   2HD   LYS  29          2HD       LYS  29  17.755  -8.211 -17.534
  250   1HE   LYS  29          1HE       LYS  29  19.015 -10.341 -16.795
  251   2HE   LYS  29          2HE       LYS  29  18.708  -9.846 -15.143
  252   1HZ   LYS  29          1HZ       LYS  29  16.747 -10.900 -15.418
  253   2HZ   LYS  29          2HZ       LYS  29  16.260  -9.638 -16.325
  254    HA   PRO  30           HA       PRO  30  24.032  -5.814 -18.991
  255   1HB   PRO  30          1HB       PRO  30  25.985  -6.015 -17.090
  256   2HB   PRO  30          2HB       PRO  30  25.483  -4.489 -17.790
  257   1HG   PRO  30          1HG       PRO  30  24.873  -5.593 -15.115
  258   2HG   PRO  30          2HG       PRO  30  24.752  -3.936 -15.673
  259   1HD   PRO  30          1HD       PRO  30  22.589  -5.778 -15.286
  260   2HD   PRO  30          2HD       PRO  30  22.481  -4.161 -15.953
  Start of MODEL    8
    1   1H    MET   1           H1       MET   1 -13.923   4.859   8.785
    2    HA   MET   1           HA       MET   1 -12.148   3.178   7.760
    3   1HB   MET   1          1HB       MET   1 -14.562   1.708   8.211
    4   2HB   MET   1          2HB       MET   1 -14.509   1.975   6.481
    5   1HG   MET   1          1HG       MET   1 -11.865   1.202   7.499
    6   2HG   MET   1          2HG       MET   1 -13.076   0.013   7.938
    7   1HE   MET   1          1HE       MET   1 -10.926  -0.022   4.179
    8   2HE   MET   1          2HE       MET   1 -10.834   1.420   5.218
    9   3HE   MET   1          3HE       MET   1 -10.523  -0.193   5.904
   10    H    VAL   2           H        VAL   2 -12.366   2.989   5.182
   11    HA   VAL   2           HA       VAL   2 -12.429   5.442   4.113
   12    HB   VAL   2           HB       VAL   2 -13.240   4.102   1.981
   13   1HG1  VAL   2          1HG1      VAL   2 -10.983   4.959   2.314
   14   2HG1  VAL   2          2HG1      VAL   2 -10.607   3.611   3.414
   15   3HG1  VAL   2          3HG1      VAL   2 -10.918   3.294   1.690
   16   1HG2  VAL   2          1HG2      VAL   2 -13.751   2.178   3.869
   17   2HG2  VAL   2          2HG2      VAL   2 -13.468   1.866   2.140
   18   3HG2  VAL   2          3HG2      VAL   2 -12.129   1.711   3.302
   19    H    LYS   3           H        LYS   3 -15.247   3.320   4.761
   20    HA   LYS   3           HA       LYS   3 -17.424   3.678   4.662
   21   1HB   LYS   3          1HB       LYS   3 -16.494   5.547   6.265
   22   2HB   LYS   3          2HB       LYS   3 -17.005   6.635   4.991
   23   1HG   LYS   3          1HG       LYS   3 -18.967   6.517   6.248
   24   2HG   LYS   3          2HG       LYS   3 -19.267   5.243   5.082
   25   1HD   LYS   3          1HD       LYS   3 -18.801   3.518   6.637
   26   2HD   LYS   3          2HD       LYS   3 -17.848   4.565   7.670
   27   1HE   LYS   3          1HE       LYS   3 -20.218   5.870   7.868
   28   2HE   LYS   3          2HE       LYS   3 -20.838   4.273   7.497
   29   1HZ   LYS   3          1HZ       LYS   3 -20.605   4.367   9.841
   30   2HZ   LYS   3          2HZ       LYS   3 -19.339   3.463   9.361
   31    H    SER   4           H        SER   4 -16.307   3.313   2.182
   32    HA   SER   4           HA       SER   4 -18.230   4.211   0.515
   33   1HB   SER   4          1HB       SER   4 -17.587   6.491   0.641
   34   2HB   SER   4          2HB       SER   4 -15.876   6.111   0.651
   35    HG   SER   4           HG       SER   4 -17.516   6.619  -1.487
   36    H    LYS   5           H        LYS   5 -14.796   3.401   1.037
   37    HA   LYS   5           HA       LYS   5 -13.651   1.686   0.156
   38   1HB   LYS   5          1HB       LYS   5 -16.010   0.786  -0.516
   39   2HB   LYS   5          2HB       LYS   5 -15.588   1.345  -2.121
   40   1HG   LYS   5          1HG       LYS   5 -13.646  -0.085  -2.226
   41   2HG   LYS   5          2HG       LYS   5 -13.703  -0.419  -0.506
   42   1HD   LYS   5          1HD       LYS   5 -15.968  -1.536  -0.875
   43   2HD   LYS   5          2HD       LYS   5 -15.731  -1.331  -2.598
   44   1HE   LYS   5          1HE       LYS   5 -14.938  -3.533  -2.183
   45   2HE   LYS   5          2HE       LYS   5 -13.472  -2.579  -2.278
   46   1HZ   LYS   5          1HZ       LYS   5 -13.808  -4.156  -0.268
   47   2HZ   LYS   5          2HZ       LYS   5 -13.191  -2.678   0.025
   48    H    ILE   6           H        ILE   6 -14.623   4.627  -1.240
   49    HA   ILE   6           HA       ILE   6 -12.934   4.455  -3.557
   50    HB   ILE   6           HB       ILE   6 -14.691   6.524  -2.303
   51   1HG1  ILE   6          1HG1      ILE   6 -15.523   4.729  -3.883
   52   2HG1  ILE   6          2HG1      ILE   6 -15.914   6.383  -4.312
   53   1HG2  ILE   6          1HG2      ILE   6 -12.389   7.027  -4.147
   54   2HG2  ILE   6          2HG2      ILE   6 -13.894   7.951  -4.367
   55   3HG2  ILE   6          3HG2      ILE   6 -13.028   8.016  -2.813
   56   1HD1  ILE   6          1HD1      ILE   6 -14.824   4.620  -6.068
   57   2HD1  ILE   6          2HD1      ILE   6 -14.555   6.377  -6.174
   58   3HD1  ILE   6          3HD1      ILE   6 -13.333   5.333  -5.406
   59    H    GLY   7           H        GLY   7 -12.626   5.236  -0.157
   60   1HA   GLY   7          1HA       GLY   7 -10.176   6.765  -0.553
   61   2HA   GLY   7          2HA       GLY   7 -10.997   6.429   0.958
   62    H    SER   8           H        SER   8 -10.728   3.639  -1.086
   63    HA   SER   8           HA       SER   8  -8.509   2.741   0.575
   64   1HB   SER   8          1HB       SER   8 -10.795   1.558   0.698
   65   2HB   SER   8          2HB       SER   8 -10.487   0.981  -0.928
   66    HG   SER   8           HG       SER   8  -9.823  -0.546   0.740
   67    H    TRP   9           H        TRP   9  -9.630   3.442  -2.666
   68    HA   TRP   9           HA       TRP   9  -7.690   1.783  -3.979
   69   1HB   TRP   9          1HB       TRP   9  -8.699   2.386  -5.927
   70   2HB   TRP   9          2HB       TRP   9 -10.030   2.572  -4.801
   71    HD1  TRP   9           HD1      TRP   9 -11.152   4.963  -4.724
   72    HE1  TRP   9           HE1      TRP   9 -10.750   7.337  -5.808
   73    HE3  TRP   9           HE3      TRP   9  -6.594   3.873  -6.695
   74    HZ2  TRP   9           HZ2      TRP   9  -8.619   8.464  -7.334
   75    HZ3  TRP   9           HZ3      TRP   9  -5.419   5.666  -7.969
   76    HH2  TRP   9           HH2      TRP   9  -6.360   7.896  -8.301
   77    H    ILE  10           H        ILE  10  -8.197   5.288  -3.213
   78    HA   ILE  10           HA       ILE  10  -5.988   6.303  -4.488
   79    HB   ILE  10           HB       ILE  10  -7.941   7.444  -3.273
   80   1HG1  ILE  10          1HG1      ILE  10  -6.318   8.715  -4.488
   81   2HG1  ILE  10          2HG1      ILE  10  -6.589   9.508  -2.949
   82   1HG2  ILE  10          1HG2      ILE  10  -6.124   7.857  -0.961
   83   2HG2  ILE  10          2HG2      ILE  10  -7.901   7.820  -1.042
   84   3HG2  ILE  10          3HG2      ILE  10  -6.979   6.298  -1.042
   85   1HD1  ILE  10          1HD1      ILE  10  -4.533   7.960  -2.177
   86   2HD1  ILE  10          2HD1      ILE  10  -4.168   8.010  -3.919
   87   3HD1  ILE  10          3HD1      ILE  10  -4.267   9.523  -2.987
   88    H    LEU  11           H        LEU  11  -6.251   4.511  -1.410
   89    HA   LEU  11           HA       LEU  11  -3.586   5.099  -0.608
   90   1HB   LEU  11          1HB       LEU  11  -5.904   3.899   0.486
   91   2HB   LEU  11          2HB       LEU  11  -4.630   2.698   0.563
   92    HG   LEU  11           HG       LEU  11  -4.779   4.016   2.620
   93   1HD1  LEU  11          1HD1      LEU  11  -2.652   3.205   2.472
   94   2HD1  LEU  11          2HD1      LEU  11  -2.311   4.047   0.941
   95   3HD1  LEU  11          3HD1      LEU  11  -2.302   4.950   2.475
   96   1HD2  LEU  11          1HD2      LEU  11  -3.890   6.440   2.457
   97   2HD2  LEU  11          2HD2      LEU  11  -4.380   6.338   0.748
   98   3HD2  LEU  11          3HD2      LEU  11  -5.589   6.115   2.035
   99    H    VAL  12           H        VAL  12  -5.243   2.363  -2.284
  100    HA   VAL  12           HA       VAL  12  -2.928   0.766  -2.434
  101    HB   VAL  12           HB       VAL  12  -5.552   0.839  -3.916
  102   1HG1  VAL  12          1HG1      VAL  12  -3.342  -1.226  -4.190
  103   2HG1  VAL  12          2HG1      VAL  12  -4.978  -1.349  -4.881
  104   3HG1  VAL  12          3HG1      VAL  12  -3.868  -0.076  -5.443
  105   1HG2  VAL  12          1HG2      VAL  12  -5.592   0.185  -1.530
  106   2HG2  VAL  12          2HG2      VAL  12  -6.055  -1.154  -2.606
  107   3HG2  VAL  12          3HG2      VAL  12  -4.431  -1.117  -1.881
  108    H    LEU  13           H        LEU  13  -3.885   3.687  -4.016
  109    HA   LEU  13           HA       LEU  13  -2.562   3.189  -6.487
  110   1HB   LEU  13          1HB       LEU  13  -3.828   4.903  -7.023
  111   2HB   LEU  13          2HB       LEU  13  -4.255   5.164  -5.344
  112    HG   LEU  13           HG       LEU  13  -2.208   6.570  -5.079
  113   1HD1  LEU  13          1HD1      LEU  13  -1.896   6.920  -7.998
  114   2HD1  LEU  13          2HD1      LEU  13  -0.684   6.934  -6.696
  115   3HD1  LEU  13          3HD1      LEU  13  -1.288   5.385  -7.334
  116   1HD2  LEU  13          1HD2      LEU  13  -4.628   7.312  -5.868
  117   2HD2  LEU  13          2HD2      LEU  13  -3.279   8.468  -5.751
  118   3HD2  LEU  13          3HD2      LEU  13  -3.737   7.792  -7.332
  119    H    PHE  14           H        PHE  14  -1.762   5.129  -3.522
  120    HA   PHE  14           HA       PHE  14   0.714   5.984  -4.324
  121   1HB   PHE  14          1HB       PHE  14  -0.407   5.069  -1.610
  122   2HB   PHE  14          2HB       PHE  14   1.101   5.950  -1.753
  123    HD1  PHE  14           HD1      PHE  14  -1.818   6.544  -0.491
  124    HD2  PHE  14           HD2      PHE  14   0.393   7.950  -3.829
  125    HE1  PHE  14           HE1      PHE  14  -3.078   8.713  -0.411
  126    HE2  PHE  14           HE2      PHE  14  -0.867  10.119  -3.750
  127    HZ   PHE  14           HZ       PHE  14  -2.587  10.475  -2.042
  128    H    VAL  15           H        VAL  15  -0.171   2.929  -2.579
  129    HA   VAL  15           HA       VAL  15   2.507   2.030  -2.435
  130    HB   VAL  15           HB       VAL  15   1.444  -0.110  -1.800
  131   1HG1  VAL  15          1HG1      VAL  15  -0.160   1.735  -0.178
  132   2HG1  VAL  15          2HG1      VAL  15   1.184   0.667   0.290
  133   3HG1  VAL  15          3HG1      VAL  15   1.522   2.272  -0.399
  134   1HG2  VAL  15          1HG2      VAL  15  -0.555  -0.546  -2.729
  135   2HG2  VAL  15          2HG2      VAL  15  -1.226   0.463  -1.426
  136   3HG2  VAL  15          3HG2      VAL  15  -0.898   1.175  -3.023
  137    H    ALA  16           H        ALA  16   0.181   2.246  -4.991
  138    HA   ALA  16           HA       ALA  16   1.309   0.017  -6.458
  139   1HB   ALA  16          1HB       ALA  16  -0.960   1.975  -6.834
  140   2HB   ALA  16          2HB       ALA  16  -0.355   1.030  -8.216
  141   3HB   ALA  16          3HB       ALA  16  -1.001   0.196  -6.782
  142    H    MET  17           H        MET  17   1.445   3.584  -6.280
  143    HA   MET  17           HA       MET  17   2.783   3.877  -8.734
  144   1HB   MET  17          1HB       MET  17   1.513   5.565  -7.000
  145   2HB   MET  17          2HB       MET  17   3.160   5.851  -6.475
  146   1HG   MET  17          1HG       MET  17   2.233   6.069  -9.380
  147   2HG   MET  17          2HG       MET  17   2.379   7.435  -8.291
  148   1HE   MET  17          1HE       MET  17   4.921   7.400 -11.076
  149   2HE   MET  17          2HE       MET  17   4.992   5.621 -11.025
  150   3HE   MET  17          3HE       MET  17   3.417   6.450 -10.996
  151    H    TRP  18           H        TRP  18   3.795   3.282  -5.363
  152    HA   TRP  18           HA       TRP  18   6.542   3.883  -5.852
  153   1HB   TRP  18          1HB       TRP  18   5.368   2.275  -3.585
  154   2HB   TRP  18          2HB       TRP  18   6.914   3.097  -3.629
  155    HD1  TRP  18           HD1      TRP  18   5.759   5.944  -4.796
  156    HE1  TRP  18           HE1      TRP  18   4.417   7.596  -3.235
  157    HE3  TRP  18           HE3      TRP  18   4.420   2.445  -1.358
  158    HZ2  TRP  18           HZ2      TRP  18   2.978   7.260  -0.793
  159    HZ3  TRP  18           HZ3      TRP  18   3.047   3.189   0.584
  160    HH2  TRP  18           HH2      TRP  18   2.328   5.505   0.897
  161    H    SER  19           H        SER  19   4.525   0.886  -5.465
  162    HA   SER  19           HA       SER  19   6.577  -0.896  -5.847
  163   1HB   SER  19          1HB       SER  19   3.610  -0.941  -5.977
  164   2HB   SER  19          2HB       SER  19   4.384  -2.201  -6.917
  165    HG   SER  19           HG       SER  19   5.642  -2.727  -4.938
  166    H    ASP  20           H        ASP  20   5.116   1.328  -8.057
  167    HA   ASP  20           HA       ASP  20   5.591  -0.262 -10.374
  168   1HB   ASP  20          1HB       ASP  20   3.787   1.271 -10.589
  169   2HB   ASP  20          2HB       ASP  20   4.675   2.572  -9.822
  170    HD2  ASP  20           HD2      ASP  20   6.400   3.388 -12.775
  171    H    VAL  21           H        VAL  21   7.054   2.515  -8.589
  172    HA   VAL  21           HA       VAL  21   9.020   3.127 -10.498
  173    HB   VAL  21           HB       VAL  21   9.186   3.537  -7.513
  174   1HG1  VAL  21          1HG1      VAL  21  10.035   5.586  -9.509
  175   2HG1  VAL  21          2HG1      VAL  21  10.741   5.157  -7.932
  176   3HG1  VAL  21          3HG1      VAL  21  11.044   4.129  -9.353
  177   1HG2  VAL  21          1HG2      VAL  21   7.355   4.806  -7.544
  178   2HG2  VAL  21          2HG2      VAL  21   8.078   5.828  -8.810
  179   3HG2  VAL  21          3HG2      VAL  21   7.100   4.412  -9.261
  180    H    GLY  22           H        GLY  22   8.644   0.537  -8.162
  181   1HA   GLY  22          1HA       GLY  22  10.089  -1.031  -7.380
  182   2HA   GLY  22          2HA       GLY  22  10.480  -1.169  -9.083
  183    H    LEU  23           H        LEU  23  11.158   1.482  -6.693
  184    HA   LEU  23           HA       LEU  23  13.042   2.633  -6.376
  185   1HB   LEU  23          1HB       LEU  23  13.579  -0.211  -5.726
  186   2HB   LEU  23          2HB       LEU  23  14.967   0.859  -5.769
  187    HG   LEU  23           HG       LEU  23  14.088   0.640  -3.510
  188   1HD1  LEU  23          1HD1      LEU  23  14.654   3.050  -4.842
  189   2HD1  LEU  23          2HD1      LEU  23  13.258   3.389  -3.790
  190   3HD1  LEU  23          3HD1      LEU  23  14.752   2.716  -3.096
  191   1HD2  LEU  23          1HD2      LEU  23  11.706   0.220  -4.263
  192   2HD2  LEU  23          2HD2      LEU  23  11.908   1.268  -2.839
  193   3HD2  LEU  23          3HD2      LEU  23  11.540   1.985  -4.427
  194    H    CYS  24           H        CYS  24  12.702   2.944  -8.930
  195    HA   CYS  24           HA       CYS  24  15.001   1.854 -10.332
  196   1HB   CYS  24          1HB       CYS  24  12.401   3.071 -11.168
  197   2HB   CYS  24          2HB       CYS  24  13.770   3.265 -12.243
  198    HG   CYS  24           HG       CYS  24  11.949   1.097 -12.534
  199    H    LYS  25           H        LYS  25  13.623   4.968 -11.257
  200    HA   LYS  25           HA       LYS  25  16.169   6.219 -10.894
  201   1HB   LYS  25          1HB       LYS  25  13.505   7.271 -11.891
  202   2HB   LYS  25          2HB       LYS  25  14.998   8.188 -11.890
  203   1HG   LYS  25          1HG       LYS  25  15.090   5.455 -13.140
  204   2HG   LYS  25          2HG       LYS  25  14.201   6.690 -14.009
  205   1HD   LYS  25          1HD       LYS  25  16.210   7.347 -14.852
  206   2HD   LYS  25          2HD       LYS  25  16.521   8.050 -13.278
  207   1HE   LYS  25          1HE       LYS  25  17.103   5.251 -13.046
  208   2HE   LYS  25          2HE       LYS  25  17.832   5.788 -14.547
  209   1HZ   LYS  25          1HZ       LYS  25  18.247   7.621 -12.354
  210   2HZ   LYS  25          2HZ       LYS  25  18.926   6.162 -12.101
  211    H    LYS  26           H        LYS  26  15.792   5.464  -8.426
  212    HA   LYS  26           HA       LYS  26  14.267   7.474  -6.994
  213   1HB   LYS  26          1HB       LYS  26  14.020   5.172  -6.287
  214   2HB   LYS  26          2HB       LYS  26  15.752   4.989  -6.097
  215   1HG   LYS  26          1HG       LYS  26  15.002   5.407  -3.888
  216   2HG   LYS  26          2HG       LYS  26  15.614   6.964  -4.408
  217   1HD   LYS  26          1HD       LYS  26  13.031   7.198  -5.267
  218   2HD   LYS  26          2HD       LYS  26  12.784   6.097  -3.926
  219   1HE   LYS  26          1HE       LYS  26  14.610   8.333  -3.258
  220   2HE   LYS  26          2HE       LYS  26  13.013   8.876  -3.730
  221   1HZ   LYS  26          1HZ       LYS  26  12.032   7.623  -1.998
  222   2HZ   LYS  26          2HZ       LYS  26  13.355   6.708  -1.743
  223    H    ARG  27           H        ARG  27  17.523   6.794  -8.079
  224    HA   ARG  27           HA       ARG  27  19.433   7.755  -7.752
  225   1HB   ARG  27          1HB       ARG  27  17.869   9.752  -8.459
  226   2HB   ARG  27          2HB       ARG  27  18.013  10.272  -6.791
  227   1HG   ARG  27          1HG       ARG  27  20.370  10.613  -6.967
  228   2HG   ARG  27          2HG       ARG  27  20.502   9.620  -8.405
  229   1HD   ARG  27          1HD       ARG  27  20.624  11.798  -9.300
  230   2HD   ARG  27          2HD       ARG  27  18.931  11.409  -9.525
  231    HE   ARG  27           HE       ARG  27  19.402  12.656  -6.940
  232   1HH1  ARG  27          1HH1      ARG  27  18.966  13.359 -10.385
  233   2HH1  ARG  27          2HH1      ARG  27  18.394  14.971 -10.111
  234   1HH2  ARG  27          1HH2      ARG  27  18.215  15.786  -7.864
  235    HA   PRO  28           HA       PRO  28  19.389   7.235  -3.250
  236   1HB   PRO  28          1HB       PRO  28  21.197   5.190  -3.119
  237   2HB   PRO  28          2HB       PRO  28  19.465   4.935  -3.195
  238   1HG   PRO  28          1HG       PRO  28  21.488   4.574  -5.322
  239   2HG   PRO  28          2HG       PRO  28  19.858   3.936  -5.237
  240   1HD   PRO  28          1HD       PRO  28  20.753   6.151  -6.824
  241   2HD   PRO  28          2HD       PRO  28  19.104   5.585  -6.649
  242    H    LYS  29           H        LYS  29  20.669   8.151  -1.681
  243    HA   LYS  29           HA       LYS  29  23.348   8.848  -2.630
  244   1HB   LYS  29          1HB       LYS  29  21.160  10.674  -2.355
  245   2HB   LYS  29          2HB       LYS  29  22.325  11.031  -1.098
  246   1HG   LYS  29          1HG       LYS  29  23.300  12.253  -2.800
  247   2HG   LYS  29          2HG       LYS  29  24.074  10.715  -3.128
  248   1HD   LYS  29          1HD       LYS  29  22.586  10.206  -4.928
  249   2HD   LYS  29          2HD       LYS  29  21.401  11.385  -4.405
  250   1HE   LYS  29          1HE       LYS  29  22.336  12.878  -5.835
  251   2HE   LYS  29          2HE       LYS  29  23.767  12.890  -4.824
  252   1HZ   LYS  29          1HZ       LYS  29  23.273  11.192  -7.196
  253   2HZ   LYS  29          2HZ       LYS  29  24.502  12.233  -6.956
  254    HA   PRO  30           HA       PRO  30  24.520   7.799   1.390
  255   1HB   PRO  30          1HB       PRO  30  26.571   9.509   1.969
  256   2HB   PRO  30          2HB       PRO  30  26.759   8.100   0.944
  257   1HG   PRO  30          1HG       PRO  30  26.609  10.948   0.169
  258   2HG   PRO  30          2HG       PRO  30  27.210   9.588  -0.758
  259   1HD   PRO  30          1HD       PRO  30  24.683  10.906  -1.087
  260   2HD   PRO  30          2HD       PRO  30  25.237   9.475  -1.934
  Start of MODEL    9
    1   1H    MET   1           H1       MET   1 -19.282   7.418  -8.411
    2    HA   MET   1           HA       MET   1 -17.002   8.513  -9.465
    3   1HB   MET   1          1HB       MET   1 -17.714  10.330  -7.696
    4   2HB   MET   1          2HB       MET   1 -17.229   9.159  -6.485
    5   1HG   MET   1          1HG       MET   1 -15.275  10.481  -6.821
    6   2HG   MET   1          2HG       MET   1 -14.959   9.022  -7.739
    7   1HE   MET   1          1HE       MET   1 -13.270   9.856  -9.300
    8   2HE   MET   1          2HE       MET   1 -14.481   8.981 -10.267
    9   3HE   MET   1          3HE       MET   1 -13.792  10.507 -10.872
   10    H    VAL   2           H        VAL   2 -17.862   7.330  -6.127
   11    HA   VAL   2           HA       VAL   2 -16.449   4.849  -6.784
   12    HB   VAL   2           HB       VAL   2 -16.177   6.142  -4.090
   13   1HG1  VAL   2          1HG1      VAL   2 -15.183   3.772  -5.422
   14   2HG1  VAL   2          2HG1      VAL   2 -13.833   4.793  -4.875
   15   3HG1  VAL   2          3HG1      VAL   2 -15.062   4.245  -3.711
   16   1HG2  VAL   2          1HG2      VAL   2 -14.834   6.959  -6.623
   17   2HG2  VAL   2          2HG2      VAL   2 -15.225   7.911  -5.170
   18   3HG2  VAL   2          3HG2      VAL   2 -13.818   6.820  -5.168
   19    H    LYS   3           H        LYS   3 -16.982   3.120  -5.037
   20    HA   LYS   3           HA       LYS   3 -19.834   3.419  -4.412
   21   1HB   LYS   3          1HB       LYS   3 -18.690   1.555  -6.014
   22   2HB   LYS   3          2HB       LYS   3 -18.591   0.721  -4.477
   23   1HG   LYS   3          1HG       LYS   3 -21.192   1.910  -4.570
   24   2HG   LYS   3          2HG       LYS   3 -20.928   1.192  -6.147
   25   1HD   LYS   3          1HD       LYS   3 -21.618  -0.743  -5.138
   26   2HD   LYS   3          2HD       LYS   3 -19.972  -0.820  -4.542
   27   1HE   LYS   3          1HE       LYS   3 -21.039  -0.968  -2.500
   28   2HE   LYS   3          2HE       LYS   3 -21.005   0.780  -2.614
   29   1HZ   LYS   3          1HZ       LYS   3 -23.252   0.624  -3.681
   30   2HZ   LYS   3          2HZ       LYS   3 -23.281  -0.973  -3.361
   31    H    SER   4           H        SER   4 -16.648   3.278  -3.116
   32    HA   SER   4           HA       SER   4 -17.255   3.830  -0.617
   33   1HB   SER   4          1HB       SER   4 -17.976   1.028  -1.122
   34   2HB   SER   4          2HB       SER   4 -16.811   1.165   0.180
   35    HG   SER   4           HG       SER   4 -18.690   1.465   1.262
   36    H    LYS   5           H        LYS   5 -15.337   1.927  -2.887
   37    HA   LYS   5           HA       LYS   5 -13.033   1.839  -1.164
   38   1HB   LYS   5          1HB       LYS   5 -13.904   0.616  -3.666
   39   2HB   LYS   5          2HB       LYS   5 -12.248   1.182  -3.763
   40   1HG   LYS   5          1HG       LYS   5 -11.614  -0.090  -1.777
   41   2HG   LYS   5          2HG       LYS   5 -13.285  -0.487  -1.428
   42   1HD   LYS   5          1HD       LYS   5 -12.693  -1.314  -4.143
   43   2HD   LYS   5          2HD       LYS   5 -11.435  -1.928  -3.088
   44   1HE   LYS   5          1HE       LYS   5 -12.949  -3.204  -1.792
   45   2HE   LYS   5          2HE       LYS   5 -14.325  -2.210  -2.229
   46   1HZ   LYS   5          1HZ       LYS   5 -13.352  -3.284  -4.603
   47   2HZ   LYS   5          2HZ       LYS   5 -13.366  -4.523  -3.546
   48    H    ILE   6           H        ILE   6 -13.693   4.416  -1.088
   49    HA   ILE   6           HA       ILE   6 -12.606   5.907  -3.255
   50    HB   ILE   6           HB       ILE   6 -13.430   6.670  -0.453
   51   1HG1  ILE   6          1HG1      ILE   6 -14.942   7.431  -2.917
   52   2HG1  ILE   6          2HG1      ILE   6 -15.077   5.780  -2.347
   53   1HG2  ILE   6          1HG2      ILE   6 -12.217   8.518  -0.833
   54   2HG2  ILE   6          2HG2      ILE   6 -12.101   8.212  -2.583
   55   3HG2  ILE   6          3HG2      ILE   6 -13.563   8.969  -1.907
   56   1HD1  ILE   6          1HD1      ILE   6 -16.821   6.882  -1.196
   57   2HD1  ILE   6          2HD1      ILE   6 -15.511   6.853   0.009
   58   3HD1  ILE   6          3HD1      ILE   6 -15.839   8.340  -0.914
   59    H    GLY   7           H        GLY   7 -11.531   6.866  -0.057
   60   1HA   GLY   7          1HA       GLY   7  -8.917   7.300  -0.718
   61   2HA   GLY   7          2HA       GLY   7  -9.495   6.964   0.901
   62    H    SER   8           H        SER   8 -10.510   4.226   0.206
   63    HA   SER   8           HA       SER   8  -8.209   2.833   0.838
   64   1HB   SER   8          1HB       SER   8 -11.011   2.292   0.496
   65   2HB   SER   8          2HB       SER   8 -10.132   1.078  -0.411
   66    HG   SER   8           HG       SER   8 -10.550   0.580   1.913
   67    H    TRP   9           H        TRP   9  -9.521   3.936  -2.218
   68    HA   TRP   9           HA       TRP   9  -8.039   1.993  -3.769
   69   1HB   TRP   9          1HB       TRP   9 -10.036   2.439  -4.795
   70   2HB   TRP   9          2HB       TRP   9 -10.043   4.127  -4.328
   71    HD1  TRP   9           HD1      TRP   9  -9.153   5.840  -6.137
   72    HE1  TRP   9           HE1      TRP   9  -8.103   5.736  -8.556
   73    HE3  TRP   9           HE3      TRP   9  -8.412   0.810  -6.169
   74    HZ2  TRP   9           HZ2      TRP   9  -7.102   3.608 -10.175
   75    HZ3  TRP   9           HZ3      TRP   9  -7.394  -0.201  -8.208
   76    HH2  TRP   9           HH2      TRP   9  -6.746   1.113 -10.165
   77    H    ILE  10           H        ILE  10  -7.985   5.470  -2.818
   78    HA   ILE  10           HA       ILE  10  -5.847   6.212  -4.453
   79    HB   ILE  10           HB       ILE  10  -7.205   7.294  -2.038
   80   1HG1  ILE  10          1HG1      ILE  10  -7.883   7.585  -4.520
   81   2HG1  ILE  10          2HG1      ILE  10  -7.912   8.979  -3.459
   82   1HG2  ILE  10          1HG2      ILE  10  -5.125   7.902  -1.273
   83   2HG2  ILE  10          2HG2      ILE  10  -4.431   8.019  -2.909
   84   3HG2  ILE  10          3HG2      ILE  10  -5.526   9.290  -2.313
   85   1HD1  ILE  10          1HD1      ILE  10  -6.312  10.049  -4.665
   86   2HD1  ILE  10          2HD1      ILE  10  -5.259   8.614  -4.667
   87   3HD1  ILE  10          3HD1      ILE  10  -6.537   8.782  -5.896
   88    H    LEU  11           H        LEU  11  -6.040   4.487  -1.358
   89    HA   LEU  11           HA       LEU  11  -3.332   4.872  -0.649
   90   1HB   LEU  11          1HB       LEU  11  -5.672   3.583   0.389
   91   2HB   LEU  11          2HB       LEU  11  -4.328   2.459   0.451
   92    HG   LEU  11           HG       LEU  11  -4.555   3.699   2.537
   93   1HD1  LEU  11          1HD1      LEU  11  -2.102   4.978   2.002
   94   2HD1  LEU  11          2HD1      LEU  11  -2.368   3.363   2.700
   95   3HD1  LEU  11          3HD1      LEU  11  -2.163   3.550   0.942
   96   1HD2  LEU  11          1HD2      LEU  11  -5.524   5.764   1.405
   97   2HD2  LEU  11          2HD2      LEU  11  -4.389   6.038   2.748
   98   3HD2  LEU  11          3HD2      LEU  11  -3.843   6.237   1.065
   99    H    VAL  12           H        VAL  12  -5.128   2.163  -2.261
  100    HA   VAL  12           HA       VAL  12  -2.888   0.552  -2.638
  101    HB   VAL  12           HB       VAL  12  -5.397   0.770  -4.314
  102   1HG1  VAL  12          1HG1      VAL  12  -3.131  -0.749  -4.786
  103   2HG1  VAL  12          2HG1      VAL  12  -4.204  -1.879  -3.926
  104   3HG1  VAL  12          3HG1      VAL  12  -4.763  -1.080  -5.415
  105   1HG2  VAL  12          1HG2      VAL  12  -5.077   0.061  -1.561
  106   2HG2  VAL  12          2HG2      VAL  12  -6.550   0.024  -2.559
  107   3HG2  VAL  12          3HG2      VAL  12  -5.496  -1.409  -2.475
  108    H    LEU  13           H        LEU  13  -3.832   3.564  -4.098
  109    HA   LEU  13           HA       LEU  13  -2.440   3.111  -6.560
  110   1HB   LEU  13          1HB       LEU  13  -3.662   5.548  -5.268
  111   2HB   LEU  13          2HB       LEU  13  -2.837   5.593  -6.813
  112    HG   LEU  13           HG       LEU  13  -5.546   4.754  -6.167
  113   1HD1  LEU  13          1HD1      LEU  13  -4.117   5.358  -8.771
  114   2HD1  LEU  13          2HD1      LEU  13  -5.875   5.159  -8.578
  115   3HD1  LEU  13          3HD1      LEU  13  -5.037   6.503  -7.766
  116   1HD2  LEU  13          1HD2      LEU  13  -3.914   2.866  -7.888
  117   2HD2  LEU  13          2HD2      LEU  13  -4.636   2.497  -6.303
  118   3HD2  LEU  13          3HD2      LEU  13  -5.684   2.845  -7.699
  119    H    PHE  14           H        PHE  14  -1.872   5.132  -3.594
  120    HA   PHE  14           HA       PHE  14   0.594   6.095  -4.316
  121   1HB   PHE  14          1HB       PHE  14  -0.543   5.180  -1.606
  122   2HB   PHE  14          2HB       PHE  14   0.861   6.217  -1.757
  123    HD1  PHE  14           HD1      PHE  14  -0.179   7.923  -4.064
  124    HD2  PHE  14           HD2      PHE  14  -1.972   6.652  -0.433
  125    HE1  PHE  14           HE1      PHE  14  -1.671   9.939  -4.095
  126    HE2  PHE  14           HE2      PHE  14  -3.465   8.670  -0.465
  127    HZ   PHE  14           HZ       PHE  14  -3.297  10.290  -2.295
  128    H    VAL  15           H        VAL  15  -0.314   2.923  -2.906
  129    HA   VAL  15           HA       VAL  15   2.442   2.196  -2.506
  130    HB   VAL  15           HB       VAL  15   1.509   0.083  -1.753
  131   1HG1  VAL  15          1HG1      VAL  15   1.545   1.556   0.024
  132   2HG1  VAL  15          2HG1      VAL  15   0.365   2.661  -0.724
  133   3HG1  VAL  15          3HG1      VAL  15  -0.181   1.121  -0.018
  134   1HG2  VAL  15          1HG2      VAL  15  -1.175   0.197  -1.624
  135   2HG2  VAL  15          2HG2      VAL  15  -0.925   1.091  -3.143
  136   3HG2  VAL  15          3HG2      VAL  15  -0.302  -0.568  -2.972
  137    H    ALA  16           H        ALA  16   0.013   2.061  -5.041
  138    HA   ALA  16           HA       ALA  16   1.296  -0.087  -6.449
  139   1HB   ALA  16          1HB       ALA  16  -0.368   0.695  -8.251
  140   2HB   ALA  16          2HB       ALA  16  -1.058   0.095  -6.724
  141   3HB   ALA  16          3HB       ALA  16  -0.969   1.846  -7.034
  142    H    MET  17           H        MET  17   1.335   3.484  -6.385
  143    HA   MET  17           HA       MET  17   2.720   3.723  -8.823
  144   1HB   MET  17          1HB       MET  17   1.323   5.452  -7.307
  145   2HB   MET  17          2HB       MET  17   2.885   5.766  -6.576
  146   1HG   MET  17          1HG       MET  17   3.325   7.186  -8.295
  147   2HG   MET  17          2HG       MET  17   3.406   5.794  -9.356
  148   1HE   MET  17          1HE       MET  17   2.164   8.122 -11.312
  149   2HE   MET  17          2HE       MET  17   1.126   9.119 -10.264
  150   3HE   MET  17          3HE       MET  17   2.778   8.706  -9.747
  151    H    TRP  18           H        TRP  18   3.657   3.302  -5.405
  152    HA   TRP  18           HA       TRP  18   6.416   3.920  -5.923
  153   1HB   TRP  18          1HB       TRP  18   6.033   4.472  -3.783
  154   2HB   TRP  18          2HB       TRP  18   4.721   3.326  -3.594
  155    HD1  TRP  18           HD1      TRP  18   8.506   2.602  -4.296
  156    HE1  TRP  18           HE1      TRP  18   9.467   0.919  -2.506
  157    HE3  TRP  18           HE3      TRP  18   4.237   2.258  -1.557
  158    HZ2  TRP  18           HZ2      TRP  18   8.360  -0.338  -0.195
  159    HZ3  TRP  18           HZ3      TRP  18   4.260   0.781   0.451
  160    HH2  TRP  18           HH2      TRP  18   6.229  -0.490   1.145
  161    H    SER  19           H        SER  19   4.212   1.187  -6.090
  162    HA   SER  19           HA       SER  19   6.102  -0.829  -5.714
  163   1HB   SER  19          1HB       SER  19   3.310  -0.622  -6.265
  164   2HB   SER  19          2HB       SER  19   3.979  -1.632  -7.531
  165    HG   SER  19           HG       SER  19   4.281  -2.033  -4.677
  166    H    ASP  20           H        ASP  20   5.401   1.362  -8.351
  167    HA   ASP  20           HA       ASP  20   6.711  -0.375 -10.250
  168   1HB   ASP  20          1HB       ASP  20   5.946   1.157 -11.938
  169   2HB   ASP  20          2HB       ASP  20   4.613   0.954 -10.818
  170    HD2  ASP  20           HD2      ASP  20   4.458   4.138  -9.830
  171    H    VAL  21           H        VAL  21   7.062   2.663  -8.384
  172    HA   VAL  21           HA       VAL  21   9.324   3.637  -9.761
  173    HB   VAL  21           HB       VAL  21   8.008   4.165  -7.113
  174   1HG1  VAL  21          1HG1      VAL  21   9.709   6.208  -7.158
  175   2HG1  VAL  21          2HG1      VAL  21  10.123   4.663  -6.375
  176   3HG1  VAL  21          3HG1      VAL  21  10.732   5.024  -8.007
  177   1HG2  VAL  21          1HG2      VAL  21   8.154   6.531  -8.478
  178   2HG2  VAL  21          2HG2      VAL  21   8.038   5.361  -9.814
  179   3HG2  VAL  21          3HG2      VAL  21   6.783   5.398  -8.553
  180    H    GLY  22           H        GLY  22   8.797   1.080  -7.433
  181   1HA   GLY  22          1HA       GLY  22  11.028   0.894  -5.941
  182   2HA   GLY  22          2HA       GLY  22  10.253  -0.487  -6.693
  183    H    LEU  23           H        LEU  23  10.978  -1.194  -8.861
  184    HA   LEU  23           HA       LEU  23  13.649  -1.498  -9.100
  185   1HB   LEU  23          1HB       LEU  23  13.219  -2.012 -11.479
  186   2HB   LEU  23          2HB       LEU  23  12.160  -2.834 -10.352
  187    HG   LEU  23           HG       LEU  23  10.711  -0.562 -10.992
  188   1HD1  LEU  23          1HD1      LEU  23  12.395  -1.383 -13.340
  189   2HD1  LEU  23          2HD1      LEU  23  10.742  -0.770 -13.586
  190   3HD1  LEU  23          3HD1      LEU  23  11.955   0.244 -12.767
  191   1HD2  LEU  23          1HD2      LEU  23   9.290  -2.271 -11.068
  192   2HD2  LEU  23          2HD2      LEU  23   9.805  -2.515 -12.754
  193   3HD2  LEU  23          3HD2      LEU  23  10.586  -3.432 -11.444
  194    H    CYS  24           H        CYS  24  11.694   1.330  -9.980
  195    HA   CYS  24           HA       CYS  24  13.879   2.514 -11.429
  196   1HB   CYS  24          1HB       CYS  24  11.063   3.378 -10.774
  197   2HB   CYS  24          2HB       CYS  24  12.230   4.529 -11.391
  198    HG   CYS  24           HG       CYS  24  12.801   2.072 -13.088
  199    H    LYS  25           H        LYS  25  15.374   2.271  -9.489
  200    HA   LYS  25           HA       LYS  25  15.782   4.670  -8.225
  201   1HB   LYS  25          1HB       LYS  25  13.582   3.448  -7.041
  202   2HB   LYS  25          2HB       LYS  25  14.903   3.027  -5.969
  203   1HG   LYS  25          1HG       LYS  25  14.583   5.100  -5.065
  204   2HG   LYS  25          2HG       LYS  25  15.466   5.686  -6.462
  205   1HD   LYS  25          1HD       LYS  25  12.580   5.212  -6.988
  206   2HD   LYS  25          2HD       LYS  25  12.881   6.438  -5.772
  207   1HE   LYS  25          1HE       LYS  25  14.760   7.055  -7.760
  208   2HE   LYS  25          2HE       LYS  25  13.369   6.530  -8.687
  209   1HZ   LYS  25          1HZ       LYS  25  12.820   8.357  -6.479
  210   2HZ   LYS  25          2HZ       LYS  25  13.595   9.001  -7.758
  211    H    LYS  26           H        LYS  26  15.968   1.100  -8.126
  212    HA   LYS  26           HA       LYS  26  18.354   1.034  -6.605
  213   1HB   LYS  26          1HB       LYS  26  16.864  -0.964  -8.307
  214   2HB   LYS  26          2HB       LYS  26  18.418  -1.352  -7.597
  215   1HG   LYS  26          1HG       LYS  26  17.560  -0.866  -5.334
  216   2HG   LYS  26          2HG       LYS  26  16.032  -0.317  -5.994
  217   1HD   LYS  26          1HD       LYS  26  15.540  -2.535  -5.360
  218   2HD   LYS  26          2HD       LYS  26  15.868  -2.698  -7.074
  219   1HE   LYS  26          1HE       LYS  26  18.408  -2.935  -5.843
  220   2HE   LYS  26          2HE       LYS  26  17.328  -3.830  -4.792
  221   1HZ   LYS  26          1HZ       LYS  26  18.216  -5.190  -6.642
  222   2HZ   LYS  26          2HZ       LYS  26  16.589  -5.123  -6.693
  223    H    ARG  27           H        ARG  27  18.549  -0.722  -9.619
  224    HA   ARG  27           HA       ARG  27  21.020  -0.075 -10.233
  225   1HB   ARG  27          1HB       ARG  27  18.781  -1.197 -11.626
  226   2HB   ARG  27          2HB       ARG  27  19.507  -0.043 -12.728
  227   1HG   ARG  27          1HG       ARG  27  21.748  -1.318 -11.683
  228   2HG   ARG  27          2HG       ARG  27  20.580  -2.623 -11.720
  229   1HD   ARG  27          1HD       ARG  27  20.801  -2.817 -13.971
  230   2HD   ARG  27          2HD       ARG  27  20.351  -1.138 -14.196
  231    HE   ARG  27           HE       ARG  27  23.133  -1.590 -13.307
  232   1HH1  ARG  27          1HH1      ARG  27  20.958  -1.040 -16.048
  233   2HH1  ARG  27          2HH1      ARG  27  22.221  -0.505 -17.104
  234   1HH2  ARG  27          1HH2      ARG  27  24.474  -0.421 -16.290
  235    HA   PRO  28           HA       PRO  28  21.153   4.069 -11.584
  236   1HB   PRO  28          1HB       PRO  28  23.258   4.066 -13.327
  237   2HB   PRO  28          2HB       PRO  28  23.456   4.096 -11.586
  238   1HG   PRO  28          1HG       PRO  28  23.858   1.844 -13.458
  239   2HG   PRO  28          2HG       PRO  28  24.443   2.025 -11.816
  240   1HD   PRO  28          1HD       PRO  28  22.241   0.406 -12.684
  241   2HD   PRO  28          2HD       PRO  28  22.754   0.678 -11.031
  242    H    LYS  29           H        LYS  29  20.178   5.512 -12.926
  243    HA   LYS  29           HA       LYS  29  19.184   4.240 -15.368
  244   1HB   LYS  29          1HB       LYS  29  17.393   5.869 -15.302
  245   2HB   LYS  29          2HB       LYS  29  17.488   5.025 -13.771
  246   1HG   LYS  29          1HG       LYS  29  17.884   6.955 -12.641
  247   2HG   LYS  29          2HG       LYS  29  19.218   7.371 -13.699
  248   1HD   LYS  29          1HD       LYS  29  17.859   8.600 -15.174
  249   2HD   LYS  29          2HD       LYS  29  16.409   7.711 -14.755
  250   1HE   LYS  29          1HE       LYS  29  16.124   8.892 -12.697
  251   2HE   LYS  29          2HE       LYS  29  17.787   9.444 -12.676
  252   1HZ   LYS  29          1HZ       LYS  29  15.537  10.641 -13.975
  253   2HZ   LYS  29          2HZ       LYS  29  16.986  11.303 -13.637
  254    HA   PRO  30           HA       PRO  30  21.537   6.923 -17.791
  255   1HB   PRO  30          1HB       PRO  30  20.021   7.160 -20.053
  256   2HB   PRO  30          2HB       PRO  30  21.030   5.768 -19.717
  257   1HG   PRO  30          1HG       PRO  30  18.090   6.011 -19.540
  258   2HG   PRO  30          2HG       PRO  30  19.068   4.560 -19.627
  259   1HD   PRO  30          1HD       PRO  30  17.807   5.641 -17.290
  260   2HD   PRO  30          2HD       PRO  30  18.879   4.256 -17.356
  Start of MODEL   10
    1   1H    MET   1           H1       MET   1  -8.947  -2.965  -4.800
    2    HA   MET   1           HA       MET   1  -9.728  -1.104  -5.640
    3   1HB   MET   1          1HB       MET   1  -9.897  -0.849  -8.202
    4   2HB   MET   1          2HB       MET   1  -8.298  -1.235  -7.602
    5   1HG   MET   1          1HG       MET   1  -9.533  -3.756  -7.984
    6   2HG   MET   1          2HG       MET   1 -10.041  -2.806  -9.366
    7   1HE   MET   1          1HE       MET   1  -7.120  -4.997 -10.627
    8   2HE   MET   1          2HE       MET   1  -7.375  -5.413  -8.915
    9   3HE   MET   1          3HE       MET   1  -8.772  -5.092  -9.971
   10    H    VAL   2           H        VAL   2 -11.837  -0.510  -5.357
   11    HA   VAL   2           HA       VAL   2 -13.870  -2.189  -6.644
   12    HB   VAL   2           HB       VAL   2 -15.240  -1.957  -4.619
   13   1HG1  VAL   2          1HG1      VAL   2 -13.719  -3.435  -3.122
   14   2HG1  VAL   2          2HG1      VAL   2 -14.171  -4.029  -4.738
   15   3HG1  VAL   2          3HG1      VAL   2 -12.558  -3.326  -4.465
   16   1HG2  VAL   2          1HG2      VAL   2 -14.502  -0.997  -2.617
   17   2HG2  VAL   2          2HG2      VAL   2 -12.795  -1.015  -3.122
   18   3HG2  VAL   2          3HG2      VAL   2 -13.929   0.144  -3.857
   19    H    LYS   3           H        LYS   3 -16.120  -0.720  -5.838
   20    HA   LYS   3           HA       LYS   3 -15.509   1.964  -6.857
   21   1HB   LYS   3          1HB       LYS   3 -17.246  -0.111  -7.997
   22   2HB   LYS   3          2HB       LYS   3 -18.065   1.420  -7.764
   23   1HG   LYS   3          1HG       LYS   3 -16.903   2.417  -9.450
   24   2HG   LYS   3          2HG       LYS   3 -15.367   1.826  -8.848
   25   1HD   LYS   3          1HD       LYS   3 -16.549  -0.502  -9.830
   26   2HD   LYS   3          2HD       LYS   3 -17.120   0.707 -10.962
   27   1HE   LYS   3          1HE       LYS   3 -14.238   0.978 -10.290
   28   2HE   LYS   3          2HE       LYS   3 -14.635  -0.540 -11.071
   29   1HZ   LYS   3          1HZ       LYS   3 -15.951   1.038 -12.682
   30   2HZ   LYS   3          2HZ       LYS   3 -14.925   2.180 -12.138
   31    H    SER   4           H        SER   4 -15.388   2.425  -4.490
   32    HA   SER   4           HA       SER   4 -17.514   3.761  -3.606
   33   1HB   SER   4          1HB       SER   4 -18.040   0.936  -3.315
   34   2HB   SER   4          2HB       SER   4 -17.875   1.626  -1.713
   35    HG   SER   4           HG       SER   4 -19.974   2.064  -2.103
   36    H    LYS   5           H        LYS   5 -14.779   1.618  -2.892
   37    HA   LYS   5           HA       LYS   5 -14.253   3.084  -0.418
   38   1HB   LYS   5          1HB       LYS   5 -13.892   0.355  -1.276
   39   2HB   LYS   5          2HB       LYS   5 -12.341   1.033  -0.826
   40   1HG   LYS   5          1HG       LYS   5 -13.513   1.927   1.306
   41   2HG   LYS   5          2HG       LYS   5 -14.865   0.898   0.874
   42   1HD   LYS   5          1HD       LYS   5 -12.320  -0.567   0.723
   43   2HD   LYS   5          2HD       LYS   5 -12.555   0.135   2.312
   44   1HE   LYS   5          1HE       LYS   5 -15.038  -1.074   1.296
   45   2HE   LYS   5          2HE       LYS   5 -13.729  -2.239   1.334
   46   1HZ   LYS   5          1HZ       LYS   5 -14.614  -2.313   3.485
   47   2HZ   LYS   5          2HZ       LYS   5 -13.340  -1.324   3.702
   48    H    ILE   6           H        ILE   6 -13.998   4.844  -2.374
   49    HA   ILE   6           HA       ILE   6 -11.747   4.854  -3.934
   50    HB   ILE   6           HB       ILE   6 -13.341   7.034  -2.620
   51   1HG1  ILE   6          1HG1      ILE   6 -13.098   6.514  -5.568
   52   2HG1  ILE   6          2HG1      ILE   6 -14.115   5.474  -4.591
   53   1HG2  ILE   6          1HG2      ILE   6 -10.978   7.791  -2.889
   54   2HG2  ILE   6          2HG2      ILE   6 -11.124   7.476  -4.635
   55   3HG2  ILE   6          3HG2      ILE   6 -12.155   8.706  -3.864
   56   1HD1  ILE   6          1HD1      ILE   6 -14.589   8.229  -5.474
   57   2HD1  ILE   6          2HD1      ILE   6 -15.738   7.043  -4.807
   58   3HD1  ILE   6          3HD1      ILE   6 -14.777   8.065  -3.711
   59    H    GLY   7           H        GLY   7 -12.034   5.045  -0.453
   60   1HA   GLY   7          1HA       GLY   7  -9.675   6.441   0.159
   61   2HA   GLY   7          2HA       GLY   7 -10.516   5.295   1.184
   62    H    SER   8           H        SER   8 -10.331   2.857   0.045
   63    HA   SER   8           HA       SER   8  -7.647   2.220   0.452
   64   1HB   SER   8          1HB       SER   8 -10.086   0.847   0.360
   65   2HB   SER   8          2HB       SER   8  -9.214   0.193  -1.012
   66    HG   SER   8           HG       SER   8  -7.872   0.449   1.511
   67    H    TRP   9           H        TRP   9  -9.389   3.385  -2.302
   68    HA   TRP   9           HA       TRP   9  -7.882   2.077  -4.321
   69   1HB   TRP   9          1HB       TRP   9 -10.021   2.852  -4.910
   70   2HB   TRP   9          2HB       TRP   9  -9.727   4.453  -4.261
   71    HD1  TRP   9           HD1      TRP   9  -8.959   6.240  -6.024
   72    HE1  TRP   9           HE1      TRP   9  -8.115   6.297  -8.523
   73    HE3  TRP   9           HE3      TRP   9  -8.550   1.199  -6.552
   74    HZ2  TRP   9           HZ2      TRP   9  -7.387   4.273 -10.398
   75    HZ3  TRP   9           HZ3      TRP   9  -7.765   0.322  -8.749
   76    HH2  TRP   9           HH2      TRP   9  -7.193   1.769 -10.634
   77    H    ILE  10           H        ILE  10  -7.993   5.597  -3.398
   78    HA   ILE  10           HA       ILE  10  -5.681   6.347  -4.615
   79    HB   ILE  10           HB       ILE  10  -7.241   7.328  -2.277
   80   1HG1  ILE  10          1HG1      ILE  10  -7.786   7.718  -4.745
   81   2HG1  ILE  10          2HG1      ILE  10  -7.794   9.111  -3.682
   82   1HG2  ILE  10          1HG2      ILE  10  -5.551   9.347  -2.374
   83   2HG2  ILE  10          2HG2      ILE  10  -5.252   7.944  -1.320
   84   3HG2  ILE  10          3HG2      ILE  10  -4.409   8.080  -2.883
   85   1HD1  ILE  10          1HD1      ILE  10  -5.103   8.730  -4.698
   86   2HD1  ILE  10          2HD1      ILE  10  -6.256   8.744  -6.056
   87   3HD1  ILE  10          3HD1      ILE  10  -6.194  10.118  -4.925
   88    H    LEU  11           H        LEU  11  -6.115   4.700  -1.461
   89    HA   LEU  11           HA       LEU  11  -3.432   4.996  -0.651
   90   1HB   LEU  11          1HB       LEU  11  -5.837   3.994   0.394
   91   2HB   LEU  11          2HB       LEU  11  -4.729   2.637   0.398
   92    HG   LEU  11           HG       LEU  11  -4.710   3.850   2.524
   93   1HD1  LEU  11          1HD1      LEU  11  -2.321   3.468   0.844
   94   2HD1  LEU  11          2HD1      LEU  11  -2.088   4.544   2.243
   95   3HD1  LEU  11          3HD1      LEU  11  -2.685   2.885   2.486
   96   1HD2  LEU  11          1HD2      LEU  11  -3.237   6.201   1.667
   97   2HD2  LEU  11          2HD2      LEU  11  -4.862   6.143   0.945
   98   3HD2  LEU  11          3HD2      LEU  11  -4.671   6.065   2.713
   99    H    VAL  12           H        VAL  12  -5.246   2.288  -2.244
  100    HA   VAL  12           HA       VAL  12  -3.021   0.613  -2.468
  101    HB   VAL  12           HB       VAL  12  -5.704   0.834  -3.783
  102   1HG1  VAL  12          1HG1      VAL  12  -4.658   0.004  -5.659
  103   2HG1  VAL  12          2HG1      VAL  12  -3.374  -0.800  -4.726
  104   3HG1  VAL  12          3HG1      VAL  12  -5.005  -1.509  -4.788
  105   1HG2  VAL  12          1HG2      VAL  12  -4.437  -1.414  -2.188
  106   2HG2  VAL  12          2HG2      VAL  12  -5.413  -0.107  -1.475
  107   3HG2  VAL  12          3HG2      VAL  12  -6.149  -1.235  -2.640
  108    H    LEU  13           H        LEU  13  -3.793   3.598  -4.010
  109    HA   LEU  13           HA       LEU  13  -2.373   2.982  -6.442
  110   1HB   LEU  13          1HB       LEU  13  -3.616   5.508  -5.353
  111   2HB   LEU  13          2HB       LEU  13  -2.784   5.415  -6.892
  112    HG   LEU  13           HG       LEU  13  -5.486   4.515  -6.136
  113   1HD1  LEU  13          1HD1      LEU  13  -5.994   5.762  -7.898
  114   2HD1  LEU  13          2HD1      LEU  13  -4.264   6.130  -8.093
  115   3HD1  LEU  13          3HD1      LEU  13  -4.984   4.755  -8.962
  116   1HD2  LEU  13          1HD2      LEU  13  -3.761   2.779  -7.922
  117   2HD2  LEU  13          2HD2      LEU  13  -4.531   2.316  -6.386
  118   3HD2  LEU  13          3HD2      LEU  13  -5.534   2.682  -7.810
  119    H    PHE  14           H        PHE  14  -1.898   4.981  -3.461
  120    HA   PHE  14           HA       PHE  14   0.553   6.039  -4.151
  121   1HB   PHE  14          1HB       PHE  14  -0.670   5.101  -1.490
  122   2HB   PHE  14          2HB       PHE  14   0.772   6.093  -1.563
  123    HD1  PHE  14           HD1      PHE  14  -0.052   7.915  -3.827
  124    HD2  PHE  14           HD2      PHE  14  -2.159   6.556  -0.402
  125    HE1  PHE  14           HE1      PHE  14  -1.477   9.982  -3.882
  126    HE2  PHE  14           HE2      PHE  14  -3.583   8.622  -0.459
  127    HZ   PHE  14           HZ       PHE  14  -3.225  10.310  -2.198
  128    H    VAL  15           H        VAL  15  -0.326   2.798  -2.957
  129    HA   VAL  15           HA       VAL  15   2.455   2.143  -2.472
  130    HB   VAL  15           HB       VAL  15   1.391  -0.112  -1.939
  131   1HG1  VAL  15          1HG1      VAL  15   1.375   2.403  -0.464
  132   2HG1  VAL  15          2HG1      VAL  15   0.104   1.292   0.099
  133   3HG1  VAL  15          3HG1      VAL  15   1.803   0.763   0.079
  134   1HG2  VAL  15          1HG2      VAL  15  -0.828  -0.459  -2.082
  135   2HG2  VAL  15          2HG2      VAL  15  -1.222   1.171  -1.482
  136   3HG2  VAL  15          3HG2      VAL  15  -0.816   0.928  -3.198
  137    H    ALA  16           H        ALA  16   0.034   1.999  -5.004
  138    HA   ALA  16           HA       ALA  16   1.342  -0.140  -6.416
  139   1HB   ALA  16          1HB       ALA  16  -1.062   0.081  -6.585
  140   2HB   ALA  16          2HB       ALA  16  -0.919   1.779  -7.099
  141   3HB   ALA  16          3HB       ALA  16  -0.361   0.474  -8.172
  142    H    MET  17           H        MET  17   1.300   3.433  -6.351
  143    HA   MET  17           HA       MET  17   2.642   3.717  -8.802
  144   1HB   MET  17          1HB       MET  17   1.493   5.373  -6.734
  145   2HB   MET  17          2HB       MET  17   3.144   5.918  -6.952
  146   1HG   MET  17          1HG       MET  17   2.435   7.073  -8.777
  147   2HG   MET  17          2HG       MET  17   2.209   5.537  -9.588
  148   1HE   MET  17          1HE       MET  17   0.948   8.469  -9.549
  149   2HE   MET  17          2HE       MET  17   0.020   7.579 -10.778
  150   3HE   MET  17          3HE       MET  17  -0.830   8.424  -9.462
  151    H    TRP  18           H        TRP  18   3.662   3.357  -5.388
  152    HA   TRP  18           HA       TRP  18   6.386   4.024  -5.921
  153   1HB   TRP  18          1HB       TRP  18   6.042   4.421  -3.746
  154   2HB   TRP  18          2HB       TRP  18   4.738   3.255  -3.618
  155    HD1  TRP  18           HD1      TRP  18   8.503   2.555  -4.429
  156    HE1  TRP  18           HE1      TRP  18   9.495   0.789  -2.737
  157    HE3  TRP  18           HE3      TRP  18   4.303   2.128  -1.595
  158    HZ2  TRP  18           HZ2      TRP  18   8.436  -0.558  -0.455
  159    HZ3  TRP  18           HZ3      TRP  18   4.366   0.566   0.347
  160    HH2  TRP  18           HH2      TRP  18   6.340  -0.751   0.934
  161    H    SER  19           H        SER  19   4.332   1.083  -5.771
  162    HA   SER  19           HA       SER  19   6.514  -0.687  -5.906
  163   1HB   SER  19          1HB       SER  19   4.120  -1.152  -5.065
  164   2HB   SER  19          2HB       SER  19   3.647  -1.268  -6.748
  165    HG   SER  19           HG       SER  19   4.627  -3.186  -6.941
  166    H    ASP  20           H        ASP  20   4.757   1.273  -8.211
  167    HA   ASP  20           HA       ASP  20   5.140  -0.339 -10.457
  168   1HB   ASP  20          1HB       ASP  20   3.685   1.865  -9.991
  169   2HB   ASP  20          2HB       ASP  20   5.100   2.679 -10.628
  170    HD2  ASP  20           HD2      ASP  20   2.581   0.397 -11.631
  171    H    VAL  21           H        VAL  21   6.899   2.514  -9.043
  172    HA   VAL  21           HA       VAL  21   8.834   2.819 -10.967
  173    HB   VAL  21           HB       VAL  21   8.909   3.218  -7.973
  174   1HG1  VAL  21          1HG1      VAL  21  10.800   4.482  -9.971
  175   2HG1  VAL  21          2HG1      VAL  21  10.888   4.505  -8.194
  176   3HG1  VAL  21          3HG1      VAL  21  11.195   2.993  -9.082
  177   1HG2  VAL  21          1HG2      VAL  21   7.204   4.541  -9.108
  178   2HG2  VAL  21          2HG2      VAL  21   8.533   5.592  -8.562
  179   3HG2  VAL  21          3HG2      VAL  21   8.408   5.133 -10.278
  180    H    GLY  22           H        GLY  22   8.341   0.220  -8.666
  181   1HA   GLY  22          1HA       GLY  22  10.761  -0.816  -8.118
  182   2HA   GLY  22          2HA       GLY  22   9.373  -1.791  -8.558
  183    H    LEU  23           H        LEU  23   9.097  -0.844 -11.318
  184    HA   LEU  23           HA       LEU  23  10.508  -2.663 -12.694
  185   1HB   LEU  23          1HB       LEU  23  10.134  -1.288 -14.676
  186   2HB   LEU  23          2HB       LEU  23   8.713  -1.415 -13.659
  187    HG   LEU  23           HG       LEU  23   9.769   0.903 -12.708
  188   1HD1  LEU  23          1HD1      LEU  23  10.287   2.183 -14.921
  189   2HD1  LEU  23          2HD1      LEU  23  11.571   1.258 -14.106
  190   3HD1  LEU  23          3HD1      LEU  23  10.747   0.574 -15.527
  191   1HD2  LEU  23          1HD2      LEU  23   7.565   0.085 -14.341
  192   2HD2  LEU  23          2HD2      LEU  23   7.695   1.476 -13.237
  193   3HD2  LEU  23          3HD2      LEU  23   8.184   1.642 -14.941
  194    H    CYS  24           H        CYS  24  11.590   0.706 -11.931
  195    HA   CYS  24           HA       CYS  24  13.562   1.672 -12.101
  196   1HB   CYS  24          1HB       CYS  24  14.024  -0.895 -10.746
  197   2HB   CYS  24          2HB       CYS  24  15.475  -0.228 -11.469
  198    HG   CYS  24           HG       CYS  24  13.349   1.081  -9.312
  199    H    LYS  25           H        LYS  25  13.472   2.021 -14.420
  200    HA   LYS  25           HA       LYS  25  14.669   2.045 -16.331
  201   1HB   LYS  25          1HB       LYS  25  16.471   0.738 -14.965
  202   2HB   LYS  25          2HB       LYS  25  15.855  -0.673 -15.802
  203   1HG   LYS  25          1HG       LYS  25  16.837  -0.068 -17.768
  204   2HG   LYS  25          2HG       LYS  25  16.247   1.577 -17.653
  205   1HD   LYS  25          1HD       LYS  25  18.257   2.333 -16.908
  206   2HD   LYS  25          2HD       LYS  25  18.315   1.122 -15.642
  207   1HE   LYS  25          1HE       LYS  25  18.771  -0.090 -18.279
  208   2HE   LYS  25          2HE       LYS  25  19.911   1.205 -17.977
  209   1HZ   LYS  25          1HZ       LYS  25  19.831  -0.170 -15.610
  210   2HZ   LYS  25          2HZ       LYS  25  19.764  -1.360 -16.717
  211    H    LYS  26           H        LYS  26  13.058  -0.936 -15.169
  212    HA   LYS  26           HA       LYS  26  11.025  -0.931 -16.924
  213   1HB   LYS  26          1HB       LYS  26  13.465  -1.598 -18.335
  214   2HB   LYS  26          2HB       LYS  26  12.343  -2.942 -18.394
  215   1HG   LYS  26          1HG       LYS  26  10.608  -0.881 -18.876
  216   2HG   LYS  26          2HG       LYS  26  12.073  -0.189 -19.543
  217   1HD   LYS  26          1HD       LYS  26  11.669  -3.021 -20.321
  218   2HD   LYS  26          2HD       LYS  26  10.372  -1.972 -20.857
  219   1HE   LYS  26          1HE       LYS  26  12.604  -0.442 -21.476
  220   2HE   LYS  26          2HE       LYS  26  13.213  -2.065 -21.736
  221   1HZ   LYS  26          1HZ       LYS  26  11.921  -2.284 -23.560
  222   2HZ   LYS  26          2HZ       LYS  26  10.586  -1.692 -22.842
  223    H    ARG  27           H        ARG  27  13.522  -2.773 -15.197
  224    HA   ARG  27           HA       ARG  27  11.506  -4.191 -13.846
  225   1HB   ARG  27          1HB       ARG  27  12.148  -6.481 -14.525
  226   2HB   ARG  27          2HB       ARG  27  11.614  -5.573 -15.926
  227   1HG   ARG  27          1HG       ARG  27  13.857  -5.250 -16.719
  228   2HG   ARG  27          2HG       ARG  27  14.559  -5.690 -15.174
  229   1HD   ARG  27          1HD       ARG  27  12.858  -7.734 -16.617
  230   2HD   ARG  27          2HD       ARG  27  14.486  -7.442 -17.197
  231    HE   ARG  27           HE       ARG  27  14.961  -7.770 -14.541
  232   1HH1  ARG  27          1HH1      ARG  27  12.964  -9.675 -16.763
  233   2HH1  ARG  27          2HH1      ARG  27  13.191 -11.157 -15.894
  234   1HH2  ARG  27          1HH2      ARG  27  14.545 -11.162 -13.916
  235    HA   PRO  28           HA       PRO  28  14.857  -4.324 -11.056
  236   1HB   PRO  28          1HB       PRO  28  13.981  -6.160  -9.232
  237   2HB   PRO  28          2HB       PRO  28  13.449  -4.492  -9.243
  238   1HG   PRO  28          1HG       PRO  28  11.990  -6.908 -10.120
  239   2HG   PRO  28          2HG       PRO  28  11.352  -5.324  -9.724
  240   1HD   PRO  28          1HD       PRO  28  11.732  -6.416 -12.349
  241   2HD   PRO  28          2HD       PRO  28  11.205  -4.791 -11.956
  242    H    LYS  29           H        LYS  29  16.819  -4.952 -11.689
  243    HA   LYS  29           HA       LYS  29  17.094  -7.625 -12.677
  244   1HB   LYS  29          1HB       LYS  29  18.467  -5.149 -12.934
  245   2HB   LYS  29          2HB       LYS  29  19.609  -6.296 -12.265
  246   1HG   LYS  29          1HG       LYS  29  18.544  -7.909 -14.144
  247   2HG   LYS  29          2HG       LYS  29  18.158  -6.379 -14.906
  248   1HD   LYS  29          1HD       LYS  29  20.943  -6.589 -13.850
  249   2HD   LYS  29          2HD       LYS  29  20.573  -7.677 -15.172
  250   1HE   LYS  29          1HE       LYS  29  19.439  -5.305 -16.071
  251   2HE   LYS  29          2HE       LYS  29  20.827  -4.714 -15.178
  252   1HZ   LYS  29          1HZ       LYS  29  22.055  -6.587 -16.505
  253   2HZ   LYS  29          2HZ       LYS  29  20.801  -6.467 -17.538
  254    HA   PRO  30           HA       PRO  30  19.508  -8.056  -8.648
  255   1HB   PRO  30          1HB       PRO  30  19.569  -6.019  -6.827
  256   2HB   PRO  30          2HB       PRO  30  20.825  -6.275  -8.023
  257   1HG   PRO  30          1HG       PRO  30  18.696  -4.225  -7.982
  258   2HG   PRO  30          2HG       PRO  30  20.184  -4.244  -8.908
  259   1HD   PRO  30          1HD       PRO  30  17.549  -4.823  -9.884
  260   2HD   PRO  30          2HD       PRO  30  19.051  -4.954 -10.778
  Start of MODEL   11
    1   1H    MET   1           H1       MET   1 -10.388   9.174  -2.553
    2    HA   MET   1           HA       MET   1 -10.052  10.263  -0.688
    3   1HB   MET   1          1HB       MET   1  -9.997  12.421  -2.677
    4   2HB   MET   1          2HB       MET   1 -10.727  13.007  -1.197
    5   1HG   MET   1          1HG       MET   1  -8.543  13.354  -0.560
    6   2HG   MET   1          2HG       MET   1  -8.600  11.655  -0.133
    7   1HE   MET   1          1HE       MET   1  -6.918  14.331  -2.106
    8   2HE   MET   1          2HE       MET   1  -5.979  13.408  -0.908
    9   3HE   MET   1          3HE       MET   1  -5.518  13.363  -2.626
   10    H    VAL   2           H        VAL   2 -11.842   9.297   0.353
   11    HA   VAL   2           HA       VAL   2 -13.972  11.126   0.960
   12    HB   VAL   2           HB       VAL   2 -14.511   9.824  -1.228
   13   1HG1  VAL   2          1HG1      VAL   2 -13.984   7.636   0.376
   14   2HG1  VAL   2          2HG1      VAL   2 -15.763   7.712   0.381
   15   3HG1  VAL   2          3HG1      VAL   2 -14.880   7.610  -1.162
   16   1HG2  VAL   2          1HG2      VAL   2 -16.490  10.745  -0.781
   17   2HG2  VAL   2          2HG2      VAL   2 -16.885   9.371   0.279
   18   3HG2  VAL   2          3HG2      VAL   2 -16.087  10.812   0.952
   19    H    LYS   3           H        LYS   3 -15.660   8.851   1.953
   20    HA   LYS   3           HA       LYS   3 -13.952   7.435   3.777
   21   1HB   LYS   3          1HB       LYS   3 -14.802   9.972   4.572
   22   2HB   LYS   3          2HB       LYS   3 -15.938   8.886   5.346
   23   1HG   LYS   3          1HG       LYS   3 -13.981   7.520   6.201
   24   2HG   LYS   3          2HG       LYS   3 -12.893   8.709   5.512
   25   1HD   LYS   3          1HD       LYS   3 -14.956  10.010   7.141
   26   2HD   LYS   3          2HD       LYS   3 -14.106   8.793   8.072
   27   1HE   LYS   3          1HE       LYS   3 -12.713  10.647   8.398
   28   2HE   LYS   3          2HE       LYS   3 -11.927   9.884   7.031
   29   1HZ   LYS   3          1HZ       LYS   3 -12.745  12.443   7.038
   30   2HZ   LYS   3          2HZ       LYS   3 -12.535  11.582   5.672
   31    H    SER   4           H        SER   4 -14.908   5.693   2.519
   32    HA   SER   4           HA       SER   4 -17.209   4.711   3.777
   33   1HB   SER   4          1HB       SER   4 -17.527   5.547   0.859
   34   2HB   SER   4          2HB       SER   4 -18.680   4.576   1.754
   35    HG   SER   4           HG       SER   4 -18.321   7.323   1.753
   36    H    LYS   5           H        LYS   5 -15.009   4.682   0.925
   37    HA   LYS   5           HA       LYS   5 -13.825   2.324   1.350
   38   1HB   LYS   5          1HB       LYS   5 -16.594   1.841   0.567
   39   2HB   LYS   5          2HB       LYS   5 -15.465   1.087  -0.540
   40   1HG   LYS   5          1HG       LYS   5 -14.887   0.818   2.401
   41   2HG   LYS   5          2HG       LYS   5 -16.241  -0.097   1.767
   42   1HD   LYS   5          1HD       LYS   5 -14.240  -0.535  -0.145
   43   2HD   LYS   5          2HD       LYS   5 -13.341  -0.509   1.358
   44   1HE   LYS   5          1HE       LYS   5 -14.844  -2.230   2.325
   45   2HE   LYS   5          2HE       LYS   5 -15.833  -2.213   0.879
   46   1HZ   LYS   5          1HZ       LYS   5 -14.393  -3.615  -0.098
   47   2HZ   LYS   5          2HZ       LYS   5 -13.113  -2.650   0.186
   48    H    ILE   6           H        ILE   6 -15.374   4.553  -0.929
   49    HA   ILE   6           HA       ILE   6 -13.830   3.814  -3.173
   50    HB   ILE   6           HB       ILE   6 -15.510   6.179  -2.411
   51   1HG1  ILE   6          1HG1      ILE   6 -16.664   4.131  -3.049
   52   2HG1  ILE   6          2HG1      ILE   6 -16.915   5.387  -4.246
   53   1HG2  ILE   6          1HG2      ILE   6 -14.164   7.448  -3.704
   54   2HG2  ILE   6          2HG2      ILE   6 -13.459   6.047  -4.546
   55   3HG2  ILE   6          3HG2      ILE   6 -15.060   6.661  -5.026
   56   1HD1  ILE   6          1HD1      ILE   6 -14.556   4.033  -5.071
   57   2HD1  ILE   6          2HD1      ILE   6 -15.704   2.764  -4.580
   58   3HD1  ILE   6          3HD1      ILE   6 -16.167   3.948  -5.825
   59    H    GLY   7           H        GLY   7 -13.177   5.624  -0.249
   60   1HA   GLY   7          1HA       GLY   7 -10.862   6.968  -1.420
   61   2HA   GLY   7          2HA       GLY   7 -11.514   7.173   0.194
   62    H    SER   8           H        SER   8 -11.039   3.927  -1.195
   63    HA   SER   8           HA       SER   8  -8.870   3.587   0.723
   64   1HB   SER   8          1HB       SER   8 -11.147   2.258   0.873
   65   2HB   SER   8          2HB       SER   8 -10.481   1.299  -0.435
   66    HG   SER   8           HG       SER   8  -9.091   0.356   0.913
   67    H    TRP   9           H        TRP   9  -9.842   3.547  -2.628
   68    HA   TRP   9           HA       TRP   9  -7.788   1.770  -3.526
   69   1HB   TRP   9          1HB       TRP   9  -8.794   1.897  -5.519
   70   2HB   TRP   9          2HB       TRP   9 -10.124   2.539  -4.576
   71    HD1  TRP   9           HD1      TRP   9  -9.866   5.494  -4.374
   72    HE1  TRP   9           HE1      TRP   9  -9.518   7.221  -6.338
   73    HE3  TRP   9           HE3      TRP   9  -7.957   2.141  -7.686
   74    HZ2  TRP   9           HZ2      TRP   9  -8.505   6.997  -8.997
   75    HZ3  TRP   9           HZ3      TRP   9  -7.314   2.977  -9.945
   76    HH2  TRP   9           HH2      TRP   9  -7.561   5.313 -10.620
   77    H    ILE  10           H        ILE  10  -8.197   5.216  -2.790
   78    HA   ILE  10           HA       ILE  10  -6.111   6.241  -4.315
   79    HB   ILE  10           HB       ILE  10  -7.827   7.597  -3.276
   80   1HG1  ILE  10          1HG1      ILE  10  -6.217   9.293  -2.131
   81   2HG1  ILE  10          2HG1      ILE  10  -4.951   8.167  -2.581
   82   1HG2  ILE  10          1HG2      ILE  10  -6.548   6.786  -0.651
   83   2HG2  ILE  10          2HG2      ILE  10  -7.745   8.088  -0.844
   84   3HG2  ILE  10          3HG2      ILE  10  -8.194   6.407  -1.214
   85   1HD1  ILE  10          1HD1      ILE  10  -5.185   9.814  -4.362
   86   2HD1  ILE  10          2HD1      ILE  10  -5.785   8.252  -4.970
   87   3HD1  ILE  10          3HD1      ILE  10  -6.936   9.513  -4.467
   88    H    LEU  11           H        LEU  11  -6.153   4.303  -1.365
   89    HA   LEU  11           HA       LEU  11  -3.453   4.974  -0.667
   90   1HB   LEU  11          1HB       LEU  11  -5.686   3.775   0.573
   91   2HB   LEU  11          2HB       LEU  11  -4.430   2.554   0.541
   92    HG   LEU  11           HG       LEU  11  -4.366   3.799   2.621
   93   1HD1  LEU  11          1HD1      LEU  11  -2.121   3.795   2.758
   94   2HD1  LEU  11          2HD1      LEU  11  -2.215   3.165   1.096
   95   3HD1  LEU  11          3HD1      LEU  11  -1.924   4.899   1.376
   96   1HD2  LEU  11          1HD2      LEU  11  -4.648   6.105   0.842
   97   2HD2  LEU  11          2HD2      LEU  11  -5.051   5.922   2.566
   98   3HD2  LEU  11          3HD2      LEU  11  -3.385   6.317   2.079
   99    H    VAL  12           H        VAL  12  -5.200   2.327  -2.365
  100    HA   VAL  12           HA       VAL  12  -2.921   0.682  -2.626
  101    HB   VAL  12           HB       VAL  12  -5.536   0.840  -4.133
  102   1HG1  VAL  12          1HG1      VAL  12  -3.930  -0.253  -5.567
  103   2HG1  VAL  12          2HG1      VAL  12  -3.362  -1.278  -4.227
  104   3HG1  VAL  12          3HG1      VAL  12  -5.007  -1.488  -4.873
  105   1HG2  VAL  12          1HG2      VAL  12  -4.597  -1.000  -1.906
  106   2HG2  VAL  12          2HG2      VAL  12  -5.781   0.321  -1.752
  107   3HG2  VAL  12          3HG2      VAL  12  -6.159  -1.102  -2.753
  108    H    LEU  13           H        LEU  13  -3.751   3.708  -3.988
  109    HA   LEU  13           HA       LEU  13  -2.485   3.232  -6.527
  110   1HB   LEU  13          1HB       LEU  13  -3.613   5.684  -5.183
  111   2HB   LEU  13          2HB       LEU  13  -2.830   5.723  -6.750
  112    HG   LEU  13           HG       LEU  13  -5.539   4.941  -6.034
  113   1HD1  LEU  13          1HD1      LEU  13  -6.060   5.758  -8.119
  114   2HD1  LEU  13          2HD1      LEU  13  -4.550   6.636  -7.774
  115   3HD1  LEU  13          3HD1      LEU  13  -4.526   5.212  -8.841
  116   1HD2  LEU  13          1HD2      LEU  13  -4.688   2.665  -6.215
  117   2HD2  LEU  13          2HD2      LEU  13  -5.763   3.050  -7.579
  118   3HD2  LEU  13          3HD2      LEU  13  -3.999   3.032  -7.816
  119    H    PHE  14           H        PHE  14  -1.791   5.224  -3.569
  120    HA   PHE  14           HA       PHE  14   0.677   6.132  -4.349
  121   1HB   PHE  14          1HB       PHE  14  -0.414   5.226  -1.616
  122   2HB   PHE  14          2HB       PHE  14   1.015   6.223  -1.795
  123    HD1  PHE  14           HD1      PHE  14   0.232   8.156  -3.835
  124    HD2  PHE  14           HD2      PHE  14  -2.033   6.549  -0.626
  125    HE1  PHE  14           HE1      PHE  14  -1.203  10.216  -3.815
  126    HE2  PHE  14           HE2      PHE  14  -3.467   8.608  -0.606
  127    HZ   PHE  14           HZ       PHE  14  -3.035  10.418  -2.201
  128    H    VAL  15           H        VAL  15  -0.277   2.957  -2.996
  129    HA   VAL  15           HA       VAL  15   2.459   2.161  -2.611
  130    HB   VAL  15           HB       VAL  15   1.495   0.059  -1.911
  131   1HG1  VAL  15          1HG1      VAL  15   0.144   2.556  -0.870
  132   2HG1  VAL  15          2HG1      VAL  15  -0.123   0.958  -0.134
  133   3HG1  VAL  15          3HG1      VAL  15   1.514   1.657  -0.175
  134   1HG2  VAL  15          1HG2      VAL  15  -1.045   1.171  -3.111
  135   2HG2  VAL  15          2HG2      VAL  15  -0.249  -0.390  -3.423
  136   3HG2  VAL  15          3HG2      VAL  15  -1.074  -0.106  -1.871
  137    H    ALA  16           H        ALA  16   0.015   2.106  -5.150
  138    HA   ALA  16           HA       ALA  16   1.202  -0.024  -6.622
  139   1HB   ALA  16          1HB       ALA  16  -0.947   0.174  -7.329
  140   2HB   ALA  16          2HB       ALA  16  -1.042   1.892  -6.872
  141   3HB   ALA  16          3HB       ALA  16  -0.295   1.421  -8.418
  142    H    MET  17           H        MET  17   1.413   3.572  -6.594
  143    HA   MET  17           HA       MET  17   2.973   3.716  -8.910
  144   1HB   MET  17          1HB       MET  17   1.616   5.547  -7.566
  145   2HB   MET  17          2HB       MET  17   3.063   5.699  -6.589
  146   1HG   MET  17          1HG       MET  17   4.194   6.831  -8.227
  147   2HG   MET  17          2HG       MET  17   3.665   5.729  -9.482
  148   1HE   MET  17          1HE       MET  17   2.809   8.848 -11.047
  149   2HE   MET  17          2HE       MET  17   3.640   7.275 -11.006
  150   3HE   MET  17          3HE       MET  17   1.951   7.375 -11.559
  151    H    TRP  18           H        TRP  18   3.739   3.449  -5.402
  152    HA   TRP  18           HA       TRP  18   6.513   3.879  -5.710
  153   1HB   TRP  18          1HB       TRP  18   6.006   4.211  -3.556
  154   2HB   TRP  18          2HB       TRP  18   4.645   3.108  -3.582
  155    HD1  TRP  18           HD1      TRP  18   8.340   2.076  -4.270
  156    HE1  TRP  18           HE1      TRP  18   9.142   0.267  -2.524
  157    HE3  TRP  18           HE3      TRP  18   4.117   2.173  -1.439
  158    HZ2  TRP  18           HZ2      TRP  18   7.947  -0.894  -0.207
  159    HZ3  TRP  18           HZ3      TRP  18   4.016   0.671   0.548
  160    HH2  TRP  18           HH2      TRP  18   5.842  -0.827   1.180
  161    H    SER  19           H        SER  19   4.372   0.960  -5.538
  162    HA   SER  19           HA       SER  19   6.438  -0.880  -5.664
  163   1HB   SER  19          1HB       SER  19   3.958  -1.241  -5.061
  164   2HB   SER  19          2HB       SER  19   3.636  -1.286  -6.783
  165    HG   SER  19           HG       SER  19   4.082  -3.377  -6.564
  166    H    ASP  20           H        ASP  20   5.006   1.223  -8.067
  167    HA   ASP  20           HA       ASP  20   5.542  -0.362 -10.308
  168   1HB   ASP  20          1HB       ASP  20   3.996   1.672 -10.151
  169   2HB   ASP  20          2HB       ASP  20   5.426   2.685 -10.144
  170    HD2  ASP  20           HD2      ASP  20   3.642   0.581 -12.545
  171    H    VAL  21           H        VAL  21   7.246   2.364  -8.617
  172    HA   VAL  21           HA       VAL  21   9.366   2.661 -10.359
  173    HB   VAL  21           HB       VAL  21   9.047   3.068  -7.391
  174   1HG1  VAL  21          1HG1      VAL  21  11.152   4.473  -7.570
  175   2HG1  VAL  21          2HG1      VAL  21  11.390   2.710  -7.628
  176   3HG1  VAL  21          3HG1      VAL  21  11.457   3.666  -9.127
  177   1HG2  VAL  21          1HG2      VAL  21   7.731   4.506  -8.921
  178   2HG2  VAL  21          2HG2      VAL  21   8.933   5.426  -7.986
  179   3HG2  VAL  21          3HG2      VAL  21   9.243   5.039  -9.695
  180    H    GLY  22           H        GLY  22   8.564   0.044  -8.174
  181   1HA   GLY  22          1HA       GLY  22  10.983  -1.033  -7.485
  182   2HA   GLY  22          2HA       GLY  22   9.544  -1.959  -7.863
  183    H    LEU  23           H        LEU  23   9.094  -1.767 -10.515
  184    HA   LEU  23           HA       LEU  23  11.623  -2.128 -11.899
  185   1HB   LEU  23          1HB       LEU  23  10.047  -4.308 -10.943
  186   2HB   LEU  23          2HB       LEU  23   9.929  -4.272 -12.691
  187    HG   LEU  23           HG       LEU  23  12.607  -3.965 -12.411
  188   1HD1  LEU  23          1HD1      LEU  23  12.267  -4.179  -9.886
  189   2HD1  LEU  23          2HD1      LEU  23  11.941  -5.901 -10.194
  190   3HD1  LEU  23          3HD1      LEU  23  13.517  -5.200 -10.636
  191   1HD2  LEU  23          1HD2      LEU  23  11.818  -5.563 -13.907
  192   2HD2  LEU  23          2HD2      LEU  23  12.674  -6.531 -12.683
  193   3HD2  LEU  23          3HD2      LEU  23  10.897  -6.430 -12.654
  194    H    CYS  24           H        CYS  24  10.955  -0.078 -12.841
  195    HA   CYS  24           HA       CYS  24   8.539  -0.220 -14.446
  196   1HB   CYS  24          1HB       CYS  24   9.138   1.783 -12.956
  197   2HB   CYS  24          2HB       CYS  24  10.364   2.174 -14.145
  198    HG   CYS  24           HG       CYS  24   8.844   2.404 -16.189
  199    H    LYS  25           H        LYS  25  12.024  -0.538 -14.574
  200    HA   LYS  25           HA       LYS  25  12.595   0.310 -17.130
  201   1HB   LYS  25          1HB       LYS  25  14.228  -0.380 -15.380
  202   2HB   LYS  25          2HB       LYS  25  13.796  -2.055 -15.659
  203   1HG   LYS  25          1HG       LYS  25  15.298  -2.125 -17.353
  204   2HG   LYS  25          2HG       LYS  25  14.310  -0.982 -18.241
  205   1HD   LYS  25          1HD       LYS  25  16.267   0.254 -18.141
  206   2HD   LYS  25          2HD       LYS  25  15.535   0.800 -16.645
  207   1HE   LYS  25          1HE       LYS  25  17.194  -0.131 -15.401
  208   2HE   LYS  25          2HE       LYS  25  16.990  -1.687 -16.179
  209   1HZ   LYS  25          1HZ       LYS  25  18.250  -0.497 -18.125
  210   2HZ   LYS  25          2HZ       LYS  25  18.779   0.508 -16.957
  211    H    LYS  26           H        LYS  26  10.595  -2.334 -16.044
  212    HA   LYS  26           HA       LYS  26  10.862  -4.149 -18.079
  213   1HB   LYS  26          1HB       LYS  26   8.647  -4.901 -17.486
  214   2HB   LYS  26          2HB       LYS  26   9.523  -4.465 -16.032
  215   1HG   LYS  26          1HG       LYS  26   8.359  -2.312 -15.895
  216   2HG   LYS  26          2HG       LYS  26   7.612  -2.560 -17.461
  217   1HD   LYS  26          1HD       LYS  26   6.226  -4.353 -16.640
  218   2HD   LYS  26          2HD       LYS  26   7.171  -4.519 -15.174
  219   1HE   LYS  26          1HE       LYS  26   6.355  -1.825 -15.125
  220   2HE   LYS  26          2HE       LYS  26   4.957  -2.664 -15.766
  221   1HZ   LYS  26          1HZ       LYS  26   4.923  -2.636 -13.337
  222   2HZ   LYS  26          2HZ       LYS  26   5.060  -4.176 -13.847
  223    H    ARG  27           H        ARG  27   9.673  -0.862 -18.178
  224    HA   ARG  27           HA       ARG  27   9.136  -1.281 -20.985
  225   1HB   ARG  27          1HB       ARG  27   7.134  -0.575 -18.947
  226   2HB   ARG  27          2HB       ARG  27   7.232   0.662 -20.183
  227   1HG   ARG  27          1HG       ARG  27   6.715  -0.887 -21.943
  228   2HG   ARG  27          2HG       ARG  27   7.056  -2.279 -20.935
  229   1HD   ARG  27          1HD       ARG  27   5.092  -1.458 -19.428
  230   2HD   ARG  27          2HD       ARG  27   4.673  -0.392 -20.754
  231    HE   ARG  27           HE       ARG  27   4.944  -2.861 -21.988
  232   1HH1  ARG  27          1HH1      ARG  27   3.032  -1.689 -19.245
  233   2HH1  ARG  27          2HH1      ARG  27   1.753  -2.831 -19.489
  234   1HH2  ARG  27          1HH2      ARG  27   1.906  -4.396 -21.298
  235    HA   PRO  28           HA       PRO  28  11.213   2.542 -21.273
  236   1HB   PRO  28          1HB       PRO  28  10.271   3.573 -23.622
  237   2HB   PRO  28          2HB       PRO  28  11.501   2.328 -23.547
  238   1HG   PRO  28          1HG       PRO  28   8.646   2.070 -24.268
  239   2HG   PRO  28          2HG       PRO  28   9.964   0.960 -24.589
  240   1HD   PRO  28          1HD       PRO  28   7.944   0.688 -22.571
  241   2HD   PRO  28          2HD       PRO  28   9.326  -0.360 -22.818
  242    H    LYS  29           H        LYS  29   9.904   3.069 -19.244
  243    HA   LYS  29           HA       LYS  29   8.850   4.636 -18.101
  244   1HB   LYS  29          1HB       LYS  29  10.127   6.034 -20.228
  245   2HB   LYS  29          2HB       LYS  29   8.552   6.767 -20.002
  246   1HG   LYS  29          1HG       LYS  29   9.241   6.537 -17.395
  247   2HG   LYS  29          2HG       LYS  29  10.856   6.578 -18.073
  248   1HD   LYS  29          1HD       LYS  29   9.434   8.632 -19.429
  249   2HD   LYS  29          2HD       LYS  29   8.933   8.761 -17.755
  250   1HE   LYS  29          1HE       LYS  29  11.196   9.046 -16.981
  251   2HE   LYS  29          2HE       LYS  29  11.872   8.493 -18.499
  252   1HZ   LYS  29          1HZ       LYS  29  10.942  11.121 -17.813
  253   2HZ   LYS  29          2HZ       LYS  29  11.945  10.676 -19.015
  254    HA   PRO  30           HA       PRO  30   4.665   4.331 -19.100
  255   1HB   PRO  30          1HB       PRO  30   3.515   6.330 -17.632
  256   2HB   PRO  30          2HB       PRO  30   4.011   4.798 -16.942
  257   1HG   PRO  30          1HG       PRO  30   5.315   7.440 -16.716
  258   2HG   PRO  30          2HG       PRO  30   5.536   6.018 -15.717
  259   1HD   PRO  30          1HD       PRO  30   7.312   6.976 -17.756
  260   2HD   PRO  30          2HD       PRO  30   7.475   5.492 -16.836
  Start of MODEL   12
    1   1H    MET   1           H1       MET   1 -15.448  -3.110  -5.536
    2    HA   MET   1           HA       MET   1 -14.912  -0.999  -7.092
    3   1HB   MET   1          1HB       MET   1 -16.204  -2.826  -8.737
    4   2HB   MET   1          2HB       MET   1 -17.570  -1.890  -8.163
    5   1HG   MET   1          1HG       MET   1 -16.566   0.198  -8.968
    6   2HG   MET   1          2HG       MET   1 -15.062  -0.615  -9.356
    7   1HE   MET   1          1HE       MET   1 -15.423  -0.619 -12.814
    8   2HE   MET   1          2HE       MET   1 -16.350   0.789 -12.245
    9   3HE   MET   1          3HE       MET   1 -14.904   0.258 -11.354
   10    H    VAL   2           H        VAL   2 -15.460  -1.403  -4.422
   11    HA   VAL   2           HA       VAL   2 -17.941  -1.226  -3.426
   12    HB   VAL   2           HB       VAL   2 -16.915   0.324  -1.700
   13   1HG1  VAL   2          1HG1      VAL   2 -15.163  -1.478  -1.041
   14   2HG1  VAL   2          2HG1      VAL   2 -16.878  -1.943  -1.149
   15   3HG1  VAL   2          3HG1      VAL   2 -15.760  -2.352  -2.473
   16   1HG2  VAL   2          1HG2      VAL   2 -14.261   0.203  -2.022
   17   2HG2  VAL   2          2HG2      VAL   2 -14.733   0.271  -3.737
   18   3HG2  VAL   2          3HG2      VAL   2 -15.234   1.566  -2.624
   19    H    LYS   3           H        LYS   3 -16.062   1.493  -4.905
   20    HA   LYS   3           HA       LYS   3 -16.710   3.419  -5.762
   21   1HB   LYS   3          1HB       LYS   3 -18.889   1.605  -6.356
   22   2HB   LYS   3          2HB       LYS   3 -19.496   3.234  -6.140
   23   1HG   LYS   3          1HG       LYS   3 -17.405   3.896  -7.661
   24   2HG   LYS   3          2HG       LYS   3 -17.480   2.215  -8.153
   25   1HD   LYS   3          1HD       LYS   3 -18.853   3.381  -9.727
   26   2HD   LYS   3          2HD       LYS   3 -19.979   2.587  -8.645
   27   1HE   LYS   3          1HE       LYS   3 -19.660   4.959  -7.312
   28   2HE   LYS   3          2HE       LYS   3 -19.377   5.505  -8.953
   29   1HZ   LYS   3          1HZ       LYS   3 -21.599   3.827  -9.047
   30   2HZ   LYS   3          2HZ       LYS   3 -21.842   4.803  -7.765
   31    H    SER   4           H        SER   4 -16.113   4.169  -3.531
   32    HA   SER   4           HA       SER   4 -17.635   6.129  -2.657
   33   1HB   SER   4          1HB       SER   4 -18.848   3.595  -1.802
   34   2HB   SER   4          2HB       SER   4 -18.465   4.615  -0.429
   35    HG   SER   4           HG       SER   4 -20.041   5.968  -0.966
   36    H    LYS   5           H        LYS   5 -15.554   3.380  -1.900
   37    HA   LYS   5           HA       LYS   5 -14.347   4.893   0.299
   38   1HB   LYS   5          1HB       LYS   5 -14.944   2.095  -0.124
   39   2HB   LYS   5          2HB       LYS   5 -13.225   2.306   0.141
   40   1HG   LYS   5          1HG       LYS   5 -13.817   2.291   2.358
   41   2HG   LYS   5          2HG       LYS   5 -14.178   3.983   2.076
   42   1HD   LYS   5          1HD       LYS   5 -16.529   2.801   1.231
   43   2HD   LYS   5          2HD       LYS   5 -16.040   1.693   2.498
   44   1HE   LYS   5          1HE       LYS   5 -16.885   3.163   4.009
   45   2HE   LYS   5          2HE       LYS   5 -15.572   4.250   3.606
   46   1HZ   LYS   5          1HZ       LYS   5 -17.387   4.609   1.580
   47   2HZ   LYS   5          2HZ       LYS   5 -18.333   4.467   2.898
   48    H    ILE   6           H        ILE   6 -13.829   6.127  -2.026
   49    HA   ILE   6           HA       ILE   6 -11.787   5.121  -3.595
   50    HB   ILE   6           HB       ILE   6 -12.677   7.906  -2.894
   51   1HG1  ILE   6          1HG1      ILE   6 -12.879   6.408  -5.515
   52   2HG1  ILE   6          2HG1      ILE   6 -14.109   6.308  -4.271
   53   1HG2  ILE   6          1HG2      ILE   6 -10.670   8.647  -3.549
   54   2HG2  ILE   6          2HG2      ILE   6 -10.204   7.075  -4.241
   55   3HG2  ILE   6          3HG2      ILE   6 -11.204   8.203  -5.188
   56   1HD1  ILE   6          1HD1      ILE   6 -13.185   9.057  -5.070
   57   2HD1  ILE   6          2HD1      ILE   6 -14.216   8.162  -6.211
   58   3HD1  ILE   6          3HD1      ILE   6 -14.801   8.507  -4.565
   59    H    GLY   7           H        GLY   7 -11.778   6.296  -0.292
   60   1HA   GLY   7          1HA       GLY   7  -9.133   7.162  -0.050
   61   2HA   GLY   7          2HA       GLY   7 -10.138   6.510   1.228
   62    H    SER   8           H        SER   8 -10.578   3.894  -0.210
   63    HA   SER   8           HA       SER   8  -8.172   2.682   0.733
   64   1HB   SER   8          1HB       SER   8 -10.686   1.865   0.929
   65   2HB   SER   8          2HB       SER   8 -10.400   1.183  -0.660
   66    HG   SER   8           HG       SER   8  -8.268   0.456   0.739
   67    H    TRP   9           H        TRP   9  -9.547   3.765  -2.297
   68    HA   TRP   9           HA       TRP   9  -7.986   1.973  -3.923
   69   1HB   TRP   9          1HB       TRP   9 -10.031   2.515  -4.873
   70   2HB   TRP   9          2HB       TRP   9  -9.917   4.207  -4.431
   71    HD1  TRP   9           HD1      TRP   9  -8.860   5.829  -6.248
   72    HE1  TRP   9           HE1      TRP   9  -7.856   5.613  -8.679
   73    HE3  TRP   9           HE3      TRP   9  -8.618   0.750  -6.264
   74    HZ2  TRP   9           HZ2      TRP   9  -7.091   3.392 -10.299
   75    HZ3  TRP   9           HZ3      TRP   9  -7.730  -0.363  -8.310
   76    HH2  TRP   9           HH2      TRP   9  -6.982   0.873 -10.281
   77    H    ILE  10           H        ILE  10  -8.062   5.500  -3.060
   78    HA   ILE  10           HA       ILE  10  -5.835   6.249  -4.513
   79    HB   ILE  10           HB       ILE  10  -7.585   7.660  -3.332
   80   1HG1  ILE  10          1HG1      ILE  10  -4.648   8.393  -3.190
   81   2HG1  ILE  10          2HG1      ILE  10  -5.729   8.636  -4.548
   82   1HG2  ILE  10          1HG2      ILE  10  -7.066   6.508  -1.081
   83   2HG2  ILE  10          2HG2      ILE  10  -5.692   7.636  -0.991
   84   3HG2  ILE  10          3HG2      ILE  10  -7.354   8.263  -1.096
   85   1HD1  ILE  10          1HD1      ILE  10  -6.284  10.654  -3.692
   86   2HD1  ILE  10          2HD1      ILE  10  -7.023   9.824  -2.301
   87   3HD1  ILE  10          3HD1      ILE  10  -5.319  10.330  -2.232
   88    H    LEU  11           H        LEU  11  -6.143   4.465  -1.469
   89    HA   LEU  11           HA       LEU  11  -3.465   4.889  -0.639
   90   1HB   LEU  11          1HB       LEU  11  -5.832   3.677   0.354
   91   2HB   LEU  11          2HB       LEU  11  -4.570   2.461   0.390
   92    HG   LEU  11           HG       LEU  11  -4.747   3.683   2.508
   93   1HD1  LEU  11          1HD1      LEU  11  -2.194   4.693   2.184
   94   2HD1  LEU  11          2HD1      LEU  11  -2.623   3.017   2.607
   95   3HD1  LEU  11          3HD1      LEU  11  -2.314   3.457   0.910
   96   1HD2  LEU  11          1HD2      LEU  11  -3.579   6.151   2.098
   97   2HD2  LEU  11          2HD2      LEU  11  -4.717   6.007   0.737
   98   3HD2  LEU  11          3HD2      LEU  11  -5.304   5.840   2.408
   99    H    VAL  12           H        VAL  12  -5.191   2.164  -2.300
  100    HA   VAL  12           HA       VAL  12  -2.912   0.579  -2.597
  101    HB   VAL  12           HB       VAL  12  -5.580   0.763  -3.970
  102   1HG1  VAL  12          1HG1      VAL  12  -4.177  -0.007  -5.739
  103   2HG1  VAL  12          2HG1      VAL  12  -3.286  -1.099  -4.651
  104   3HG1  VAL  12          3HG1      VAL  12  -4.983  -1.444  -5.063
  105   1HG2  VAL  12          1HG2      VAL  12  -5.806  -1.525  -2.897
  106   2HG2  VAL  12          2HG2      VAL  12  -4.283  -1.185  -2.044
  107   3HG2  VAL  12          3HG2      VAL  12  -5.704  -0.149  -1.773
  108    H    LEU  13           H        LEU  13  -3.787   3.590  -4.026
  109    HA   LEU  13           HA       LEU  13  -2.418   3.127  -6.506
  110   1HB   LEU  13          1HB       LEU  13  -3.619   5.571  -5.210
  111   2HB   LEU  13          2HB       LEU  13  -2.793   5.612  -6.755
  112    HG   LEU  13           HG       LEU  13  -5.509   4.793  -6.108
  113   1HD1  LEU  13          1HD1      LEU  13  -5.981   5.705  -8.128
  114   2HD1  LEU  13          2HD1      LEU  13  -4.383   6.450  -7.883
  115   3HD1  LEU  13          3HD1      LEU  13  -4.544   5.006  -8.912
  116   1HD2  LEU  13          1HD2      LEU  13  -4.621   2.529  -6.258
  117   2HD2  LEU  13          2HD2      LEU  13  -5.663   2.894  -7.654
  118   3HD2  LEU  13          3HD2      LEU  13  -3.892   2.902  -7.838
  119    H    PHE  14           H        PHE  14  -1.839   5.135  -3.534
  120    HA   PHE  14           HA       PHE  14   0.634   6.083  -4.243
  121   1HB   PHE  14          1HB       PHE  14  -0.489   5.146  -1.534
  122   2HB   PHE  14          2HB       PHE  14   0.899   6.204  -1.694
  123    HD1  PHE  14           HD1      PHE  14  -2.013   6.527  -0.413
  124    HD2  PHE  14           HD2      PHE  14  -0.101   7.966  -3.917
  125    HE1  PHE  14           HE1      PHE  14  -3.536   8.524  -0.425
  126    HE2  PHE  14           HE2      PHE  14  -1.622   9.962  -3.929
  127    HZ   PHE  14           HZ       PHE  14  -3.322  10.216  -2.182
  128    H    VAL  15           H        VAL  15  -0.299   2.897  -2.887
  129    HA   VAL  15           HA       VAL  15   2.444   2.148  -2.459
  130    HB   VAL  15           HB       VAL  15   1.490   0.024  -1.770
  131   1HG1  VAL  15          1HG1      VAL  15   1.299   2.345  -0.427
  132   2HG1  VAL  15          2HG1      VAL  15  -0.429   1.931  -0.522
  133   3HG1  VAL  15          3HG1      VAL  15   0.717   0.796   0.229
  134   1HG2  VAL  15          1HG2      VAL  15  -1.191   0.127  -1.692
  135   2HG2  VAL  15          2HG2      VAL  15  -0.921   1.075  -3.174
  136   3HG2  VAL  15          3HG2      VAL  15  -0.293  -0.586  -3.054
  137    H    ALA  16           H        ALA  16   0.037   2.039  -5.029
  138    HA   ALA  16           HA       ALA  16   1.347  -0.069  -6.463
  139   1HB   ALA  16          1HB       ALA  16  -0.278   0.954  -8.291
  140   2HB   ALA  16          2HB       ALA  16  -0.928   0.020  -6.922
  141   3HB   ALA  16          3HB       ALA  16  -0.975   1.799  -6.888
  142    H    MET  17           H        MET  17   1.277   3.526  -6.459
  143    HA   MET  17           HA       MET  17   2.709   3.823  -8.823
  144   1HB   MET  17          1HB       MET  17   1.826   5.466  -6.510
  145   2HB   MET  17          2HB       MET  17   3.337   6.038  -7.189
  146   1HG   MET  17          1HG       MET  17   2.059   5.753  -9.516
  147   2HG   MET  17          2HG       MET  17   0.623   5.833  -8.515
  148   1HE   MET  17          1HE       MET  17  -0.155   9.099  -8.959
  149   2HE   MET  17          2HE       MET  17   0.836   8.834 -10.414
  150   3HE   MET  17          3HE       MET  17  -0.137   7.502  -9.745
  151    H    TRP  18           H        TRP  18   3.703   3.379  -5.405
  152    HA   TRP  18           HA       TRP  18   6.453   3.937  -5.933
  153   1HB   TRP  18          1HB       TRP  18   6.123   4.345  -3.759
  154   2HB   TRP  18          2HB       TRP  18   4.772   3.237  -3.632
  155    HD1  TRP  18           HD1      TRP  18   8.454   2.281  -4.518
  156    HE1  TRP  18           HE1      TRP  18   9.390   0.510  -2.798
  157    HE3  TRP  18           HE3      TRP  18   4.358   2.262  -1.505
  158    HZ2  TRP  18           HZ2      TRP  18   8.334  -0.673  -0.426
  159    HZ3  TRP  18           HZ3      TRP  18   4.391   0.770   0.492
  160    HH2  TRP  18           HH2      TRP  18   6.290  -0.663   1.052
  161    H    SER  19           H        SER  19   4.323   1.039  -5.607
  162    HA   SER  19           HA       SER  19   6.323  -0.848  -5.695
  163   1HB   SER  19          1HB       SER  19   3.383  -0.785  -6.265
  164   2HB   SER  19          2HB       SER  19   4.262  -2.160  -6.904
  165    HG   SER  19           HG       SER  19   4.633  -1.358  -4.167
  166    H    ASP  20           H        ASP  20   5.156   1.334  -8.135
  167    HA   ASP  20           HA       ASP  20   5.953  -0.366 -10.300
  168   1HB   ASP  20          1HB       ASP  20   4.192   1.809  -9.992
  169   2HB   ASP  20          2HB       ASP  20   5.518   2.488 -10.914
  170    HD2  ASP  20           HD2      ASP  20   2.850   0.771 -12.954
  171    H    VAL  21           H        VAL  21   7.010   2.559  -8.483
  172    HA   VAL  21           HA       VAL  21   9.182   3.157 -10.210
  173    HB   VAL  21           HB       VAL  21   8.431   3.988  -7.406
  174   1HG1  VAL  21          1HG1      VAL  21  10.827   4.175  -7.536
  175   2HG1  VAL  21          2HG1      VAL  21  10.732   4.946  -9.138
  176   3HG1  VAL  21          3HG1      VAL  21  10.132   5.805  -7.700
  177   1HG2  VAL  21          1HG2      VAL  21   7.351   4.695  -9.859
  178   2HG2  VAL  21          2HG2      VAL  21   7.216   5.622  -8.344
  179   3HG2  VAL  21          3HG2      VAL  21   8.495   6.016  -9.518
  180    H    GLY  22           H        GLY  22   8.594   0.866  -7.622
  181   1HA   GLY  22          1HA       GLY  22  11.481   0.401  -7.287
  182   2HA   GLY  22          2HA       GLY  22  10.198  -0.150  -6.226
  183    H    LEU  23           H        LEU  23  10.281  -0.325  -9.834
  184    HA   LEU  23           HA       LEU  23  10.731  -3.192  -9.664
  185   1HB   LEU  23          1HB       LEU  23   8.206  -2.490  -9.564
  186   2HB   LEU  23          2HB       LEU  23   8.407  -2.226 -11.284
  187    HG   LEU  23           HG       LEU  23   9.280  -4.846 -10.115
  188   1HD1  LEU  23          1HD1      LEU  23   6.581  -5.076 -11.045
  189   2HD1  LEU  23          2HD1      LEU  23   7.263  -5.482  -9.453
  190   3HD1  LEU  23          3HD1      LEU  23   6.653  -3.839  -9.766
  191   1HD2  LEU  23          1HD2      LEU  23   8.937  -5.694 -12.266
  192   2HD2  LEU  23          2HD2      LEU  23   7.889  -4.335 -12.740
  193   3HD2  LEU  23          3HD2      LEU  23   9.639  -4.081 -12.539
  194    H    CYS  24           H        CYS  24  10.028  -0.334 -11.780
  195    HA   CYS  24           HA       CYS  24  12.010  -1.441 -13.633
  196   1HB   CYS  24          1HB       CYS  24  10.899  -0.127 -15.398
  197   2HB   CYS  24          2HB       CYS  24   9.819  -1.299 -14.671
  198    HG   CYS  24           HG       CYS  24   8.651   0.330 -13.008
  199    H    LYS  25           H        LYS  25  13.543  -0.438 -11.934
  200    HA   LYS  25           HA       LYS  25  14.813   1.729 -12.844
  201   1HB   LYS  25          1HB       LYS  25  12.329   2.580 -11.563
  202   2HB   LYS  25          2HB       LYS  25  13.736   3.311 -10.818
  203   1HG   LYS  25          1HG       LYS  25  13.636   3.227 -13.830
  204   2HG   LYS  25          2HG       LYS  25  12.580   4.364 -13.014
  205   1HD   LYS  25          1HD       LYS  25  15.038   4.687 -11.684
  206   2HD   LYS  25          2HD       LYS  25  15.509   4.445 -13.355
  207   1HE   LYS  25          1HE       LYS  25  14.950   6.600 -13.788
  208   2HE   LYS  25          2HE       LYS  25  13.275   6.206 -13.457
  209   1HZ   LYS  25          1HZ       LYS  25  15.216   7.492 -11.706
  210   2HZ   LYS  25          2HZ       LYS  25  13.611   7.746 -11.821
  211    H    LYS  26           H        LYS  26  13.591  -0.106 -10.070
  212    HA   LYS  26           HA       LYS  26  16.122   0.415  -8.684
  213   1HB   LYS  26          1HB       LYS  26  13.348  -0.242  -7.765
  214   2HB   LYS  26          2HB       LYS  26  14.699  -0.789  -6.793
  215   1HG   LYS  26          1HG       LYS  26  14.762   2.064  -7.756
  216   2HG   LYS  26          2HG       LYS  26  13.607   1.668  -6.498
  217   1HD   LYS  26          1HD       LYS  26  15.818   0.410  -5.493
  218   2HD   LYS  26          2HD       LYS  26  16.602   1.692  -6.392
  219   1HE   LYS  26          1HE       LYS  26  14.491   3.016  -5.091
  220   2HE   LYS  26          2HE       LYS  26  15.026   1.847  -3.900
  221   1HZ   LYS  26          1HZ       LYS  26  17.202   3.209  -5.223
  222   2HZ   LYS  26          2HZ       LYS  26  16.248   4.214  -4.365
  223    H    ARG  27           H        ARG  27  16.616  -1.101 -10.811
  224    HA   ARG  27           HA       ARG  27  16.019  -3.792 -10.518
  225   1HB   ARG  27          1HB       ARG  27  17.524  -2.110 -12.316
  226   2HB   ARG  27          2HB       ARG  27  18.562  -3.448 -11.868
  227   1HG   ARG  27          1HG       ARG  27  16.584  -5.010 -12.409
  228   2HG   ARG  27          2HG       ARG  27  15.776  -3.615 -13.096
  229   1HD   ARG  27          1HD       ARG  27  16.844  -4.170 -15.038
  230   2HD   ARG  27          2HD       ARG  27  18.265  -3.448 -14.309
  231    HE   ARG  27           HE       ARG  27  18.385  -5.988 -13.305
  232   1HH1  ARG  27          1HH1      ARG  27  17.890  -4.800 -16.606
  233   2HH1  ARG  27          2HH1      ARG  27  18.618  -6.185 -17.347
  234   1HH2  ARG  27          1HH2      ARG  27  19.468  -7.946 -15.962
  235    HA   PRO  28           HA       PRO  28  20.305  -4.012  -8.459
  236   1HB   PRO  28          1HB       PRO  28  21.624  -1.710  -7.800
  237   2HB   PRO  28          2HB       PRO  28  21.927  -2.598  -9.281
  238   1HG   PRO  28          1HG       PRO  28  20.445  -0.067  -8.907
  239   2HG   PRO  28          2HG       PRO  28  21.116  -0.739 -10.380
  240   1HD   PRO  28          1HD       PRO  28  18.357  -0.738  -9.597
  241   2HD   PRO  28          2HD       PRO  28  19.044  -1.510 -11.012
  242    H    LYS  29           H        LYS  29  18.696  -1.085  -7.325
  243    HA   LYS  29           HA       LYS  29  17.780  -0.611  -5.372
  244   1HB   LYS  29          1HB       LYS  29  16.882  -3.040  -5.749
  245   2HB   LYS  29          2HB       LYS  29  17.977  -3.468  -4.449
  246   1HG   LYS  29          1HG       LYS  29  16.430  -1.037  -3.825
  247   2HG   LYS  29          2HG       LYS  29  15.386  -2.403  -4.165
  248   1HD   LYS  29          1HD       LYS  29  17.698  -3.084  -2.431
  249   2HD   LYS  29          2HD       LYS  29  16.622  -1.896  -1.724
  250   1HE   LYS  29          1HE       LYS  29  14.687  -3.518  -2.428
  251   2HE   LYS  29          2HE       LYS  29  15.948  -4.715  -2.649
  252   1HZ   LYS  29          1HZ       LYS  29  16.423  -4.723  -0.390
  253   2HZ   LYS  29          2HZ       LYS  29  15.869  -3.216  -0.118
  254    HA   PRO  30           HA       PRO  30  21.792  -0.346  -3.447
  255   1HB   PRO  30          1HB       PRO  30  21.754   2.353  -3.022
  256   2HB   PRO  30          2HB       PRO  30  22.425   1.620  -4.465
  257   1HG   PRO  30          1HG       PRO  30  19.863   3.058  -4.136
  258   2HG   PRO  30          2HG       PRO  30  20.739   2.698  -5.611
  259   1HD   PRO  30          1HD       PRO  30  18.399   1.356  -4.633
  260   2HD   PRO  30          2HD       PRO  30  19.342   0.924  -6.046
  Start of MODEL   13
    1   1H    MET   1           H1       MET   1 -12.197  -3.778 -10.981
    2    HA   MET   1           HA       MET   1 -10.411  -2.149 -10.722
    3   1HB   MET   1          1HB       MET   1 -12.182  -0.660 -12.358
    4   2HB   MET   1          2HB       MET   1 -12.293   0.139 -10.803
    5   1HG   MET   1          1HG       MET   1  -9.612  -0.072 -10.885
    6   2HG   MET   1          2HG       MET   1  -9.895  -0.168 -12.612
    7   1HE   MET   1          1HE       MET   1 -11.124   1.193 -13.915
    8   2HE   MET   1          2HE       MET   1 -12.333   2.325 -13.264
    9   3HE   MET   1          3HE       MET   1 -10.784   2.940 -13.889
   10    H    VAL   2           H        VAL   2 -10.441  -0.438  -8.789
   11    HA   VAL   2           HA       VAL   2 -11.335  -1.670  -6.554
   12    HB   VAL   2           HB       VAL   2  -9.804   0.006  -6.224
   13   1HG1  VAL   2          1HG1      VAL   2  -9.572   1.460  -7.918
   14   2HG1  VAL   2          2HG1      VAL   2 -11.302   1.388  -8.334
   15   3HG1  VAL   2          3HG1      VAL   2 -10.742   2.477  -7.041
   16   1HG2  VAL   2          1HG2      VAL   2 -12.220   0.237  -4.894
   17   2HG2  VAL   2          2HG2      VAL   2 -10.693   1.032  -4.439
   18   3HG2  VAL   2          3HG2      VAL   2 -11.891   1.904  -5.426
   19    H    LYS   3           H        LYS   3 -12.872   1.499  -7.060
   20    HA   LYS   3           HA       LYS   3 -14.960   2.149  -6.698
   21   1HB   LYS   3          1HB       LYS   3 -14.891   0.517  -8.970
   22   2HB   LYS   3          2HB       LYS   3 -16.314  -0.017  -8.099
   23   1HG   LYS   3          1HG       LYS   3 -17.225   2.240  -8.029
   24   2HG   LYS   3          2HG       LYS   3 -15.726   2.930  -8.617
   25   1HD   LYS   3          1HD       LYS   3 -16.691   2.812 -10.682
   26   2HD   LYS   3          2HD       LYS   3 -16.284   1.108 -10.621
   27   1HE   LYS   3          1HE       LYS   3 -18.515   0.585  -9.652
   28   2HE   LYS   3          2HE       LYS   3 -18.924   2.289  -9.630
   29   1HZ   LYS   3          1HZ       LYS   3 -19.819   1.252 -11.614
   30   2HZ   LYS   3          2HZ       LYS   3 -18.658   2.294 -12.079
   31    H    SER   4           H        SER   4 -15.053   1.895  -4.432
   32    HA   SER   4           HA       SER   4 -17.091   0.609  -3.380
   33   1HB   SER   4          1HB       SER   4 -15.004  -1.362  -3.998
   34   2HB   SER   4          2HB       SER   4 -15.404  -1.368  -2.292
   35    HG   SER   4           HG       SER   4 -17.759  -1.360  -3.188
   36    H    LYS   5           H        LYS   5 -13.696   1.550  -3.153
   37    HA   LYS   5           HA       LYS   5 -14.242   2.745  -0.577
   38   1HB   LYS   5          1HB       LYS   5 -12.089   0.648  -0.963
   39   2HB   LYS   5          2HB       LYS   5 -12.114   1.777   0.376
   40   1HG   LYS   5          1HG       LYS   5 -14.398  -0.134  -0.306
   41   2HG   LYS   5          2HG       LYS   5 -13.180  -0.448   0.914
   42   1HD   LYS   5          1HD       LYS   5 -14.183   2.170   1.464
   43   2HD   LYS   5          2HD       LYS   5 -15.587   1.183   1.112
   44   1HE   LYS   5          1HE       LYS   5 -15.322   0.792   3.409
   45   2HE   LYS   5          2HE       LYS   5 -14.459  -0.575   2.731
   46   1HZ   LYS   5          1HZ       LYS   5 -13.010   0.384   4.318
   47   2HZ   LYS   5          2HZ       LYS   5 -12.404   0.898   2.896
   48    H    ILE   6           H        ILE   6 -14.128   4.724  -1.743
   49    HA   ILE   6           HA       ILE   6 -12.355   5.506  -3.592
   50    HB   ILE   6           HB       ILE   6 -12.492   7.780  -2.250
   51   1HG1  ILE   6          1HG1      ILE   6 -15.022   6.739  -1.155
   52   2HG1  ILE   6          2HG1      ILE   6 -13.591   6.126  -0.351
   53   1HG2  ILE   6          1HG2      ILE   6 -13.547   7.583  -4.338
   54   2HG2  ILE   6          2HG2      ILE   6 -14.677   6.339  -3.751
   55   3HG2  ILE   6          3HG2      ILE   6 -14.850   8.026  -3.207
   56   1HD1  ILE   6          1HD1      ILE   6 -13.922   8.101   0.841
   57   2HD1  ILE   6          2HD1      ILE   6 -12.826   8.684  -0.433
   58   3HD1  ILE   6          3HD1      ILE   6 -14.578   8.964  -0.571
   59    H    GLY   7           H        GLY   7 -11.704   6.623  -0.224
   60   1HA   GLY   7          1HA       GLY   7  -9.087   7.173  -0.422
   61   2HA   GLY   7          2HA       GLY   7  -9.815   6.501   1.023
   62    H    SER   8           H        SER   8 -10.248   3.945   0.802
   63    HA   SER   8           HA       SER   8  -7.930   2.683   0.960
   64   1HB   SER   8          1HB       SER   8 -10.358   1.822   1.322
   65   2HB   SER   8          2HB       SER   8 -10.311   1.329  -0.359
   66    HG   SER   8           HG       SER   8  -8.041   0.520   1.051
   67    H    TRP   9           H        TRP   9  -9.592   3.668  -2.016
   68    HA   TRP   9           HA       TRP   9  -8.071   1.998  -3.750
   69   1HB   TRP   9          1HB       TRP   9  -9.574   2.640  -5.231
   70   2HB   TRP   9          2HB       TRP   9 -10.363   3.538  -3.950
   71    HD1  TRP   9           HD1      TRP   9 -10.658   6.081  -4.474
   72    HE1  TRP   9           HE1      TRP   9  -9.633   7.899  -6.089
   73    HE3  TRP   9           HE3      TRP   9  -7.060   3.069  -6.435
   74    HZ2  TRP   9           HZ2      TRP   9  -7.480   7.873  -7.963
   75    HZ3  TRP   9           HZ3      TRP   9  -5.538   4.043  -8.151
   76    HH2  TRP   9           HH2      TRP   9  -5.705   6.358  -8.919
   77    H    ILE  10           H        ILE  10  -8.058   5.536  -2.896
   78    HA   ILE  10           HA       ILE  10  -5.896   6.286  -4.389
   79    HB   ILE  10           HB       ILE  10  -7.144   7.241  -1.856
   80   1HG1  ILE  10          1HG1      ILE  10  -7.973   7.652  -4.269
   81   2HG1  ILE  10          2HG1      ILE  10  -7.921   8.999  -3.150
   82   1HG2  ILE  10          1HG2      ILE  10  -4.415   7.980  -2.829
   83   2HG2  ILE  10          2HG2      ILE  10  -5.468   9.255  -2.171
   84   3HG2  ILE  10          3HG2      ILE  10  -5.045   7.844  -1.170
   85   1HD1  ILE  10          1HD1      ILE  10  -6.696   8.882  -5.678
   86   2HD1  ILE  10          2HD1      ILE  10  -6.410  10.113  -4.425
   87   3HD1  ILE  10          3HD1      ILE  10  -5.352   8.686  -4.528
   88    H    LEU  11           H        LEU  11  -5.991   4.665  -1.181
   89    HA   LEU  11           HA       LEU  11  -3.263   4.889  -0.640
   90   1HB   LEU  11          1HB       LEU  11  -5.588   3.491   0.403
   91   2HB   LEU  11          2HB       LEU  11  -4.139   2.514   0.517
   92    HG   LEU  11           HG       LEU  11  -4.472   3.748   2.566
   93   1HD1  LEU  11          1HD1      LEU  11  -2.130   3.468   1.377
   94   2HD1  LEU  11          2HD1      LEU  11  -2.192   5.246   1.345
   95   3HD1  LEU  11          3HD1      LEU  11  -2.300   4.380   2.897
   96   1HD2  LEU  11          1HD2      LEU  11  -4.108   6.350   2.349
   97   2HD2  LEU  11          2HD2      LEU  11  -4.784   6.084   0.724
   98   3HD2  LEU  11          3HD2      LEU  11  -5.723   5.624   2.165
   99    H    VAL  12           H        VAL  12  -5.167   2.223  -2.203
  100    HA   VAL  12           HA       VAL  12  -2.972   0.591  -2.705
  101    HB   VAL  12           HB       VAL  12  -5.636   0.902  -4.096
  102   1HG1  VAL  12          1HG1      VAL  12  -5.113  -1.543  -4.794
  103   2HG1  VAL  12          2HG1      VAL  12  -4.372  -0.212  -5.714
  104   3HG1  VAL  12          3HG1      VAL  12  -3.414  -1.097  -4.502
  105   1HG2  VAL  12          1HG2      VAL  12  -5.073   0.014  -1.545
  106   2HG2  VAL  12          2HG2      VAL  12  -6.522  -0.398  -2.492
  107   3HG2  VAL  12          3HG2      VAL  12  -5.123  -1.498  -2.481
  108    H    LEU  13           H        LEU  13  -3.960   3.625  -4.103
  109    HA   LEU  13           HA       LEU  13  -2.688   3.194  -6.625
  110   1HB   LEU  13          1HB       LEU  13  -4.036   4.860  -7.114
  111   2HB   LEU  13          2HB       LEU  13  -4.422   5.105  -5.422
  112    HG   LEU  13           HG       LEU  13  -2.424   6.577  -5.207
  113   1HD1  LEU  13          1HD1      LEU  13  -0.935   6.975  -6.847
  114   2HD1  LEU  13          2HD1      LEU  13  -1.508   5.411  -7.475
  115   3HD1  LEU  13          3HD1      LEU  13  -2.168   6.929  -8.130
  116   1HD2  LEU  13          1HD2      LEU  13  -4.924   7.150  -6.245
  117   2HD2  LEU  13          2HD2      LEU  13  -3.732   8.327  -5.643
  118   3HD2  LEU  13          3HD2      LEU  13  -3.809   7.946  -7.380
  119    H    PHE  14           H        PHE  14  -1.917   5.101  -3.633
  120    HA   PHE  14           HA       PHE  14   0.555   5.999  -4.500
  121   1HB   PHE  14          1HB       PHE  14  -0.490   5.195  -1.717
  122   2HB   PHE  14          2HB       PHE  14   0.912   6.215  -1.973
  123    HD1  PHE  14           HD1      PHE  14  -1.797   6.756  -0.494
  124    HD2  PHE  14           HD2      PHE  14  -0.283   7.810  -4.315
  125    HE1  PHE  14           HE1      PHE  14  -3.277   8.782  -0.521
  126    HE2  PHE  14           HE2      PHE  14  -1.762   9.837  -4.342
  127    HZ   PHE  14           HZ       PHE  14  -3.242  10.299  -2.446
  128    H    VAL  15           H        VAL  15  -0.391   2.965  -2.786
  129    HA   VAL  15           HA       VAL  15   2.289   2.110  -2.427
  130    HB   VAL  15           HB       VAL  15   1.309   0.072  -1.662
  131   1HG1  VAL  15          1HG1      VAL  15  -0.308   2.518  -0.891
  132   2HG1  VAL  15          2HG1      VAL  15  -0.427   0.956  -0.048
  133   3HG1  VAL  15          3HG1      VAL  15   1.117   1.840  -0.069
  134   1HG2  VAL  15          1HG2      VAL  15  -1.304  -0.093  -1.837
  135   2HG2  VAL  15          2HG2      VAL  15  -1.085   0.976  -3.243
  136   3HG2  VAL  15          3HG2      VAL  15  -0.284  -0.613  -3.200
  137    H    ALA  16           H        ALA  16   0.122   2.258  -5.130
  138    HA   ALA  16           HA       ALA  16   1.349   0.030  -6.501
  139   1HB   ALA  16          1HB       ALA  16  -0.161   1.006  -8.385
  140   2HB   ALA  16          2HB       ALA  16  -0.945   0.267  -6.967
  141   3HB   ALA  16          3HB       ALA  16  -0.831   2.038  -7.099
  142    H    MET  17           H        MET  17   1.381   3.630  -6.510
  143    HA   MET  17           HA       MET  17   2.933   3.883  -8.796
  144   1HB   MET  17          1HB       MET  17   1.631   5.577  -7.031
  145   2HB   MET  17          2HB       MET  17   3.297   5.878  -6.579
  146   1HG   MET  17          1HG       MET  17   3.109   7.431  -8.296
  147   2HG   MET  17          2HG       MET  17   3.635   6.053  -9.242
  148   1HE   MET  17          1HE       MET  17   0.384   8.368  -8.416
  149   2HE   MET  17          2HE       MET  17   1.812   8.806  -9.383
  150   3HE   MET  17          3HE       MET  17   0.249   8.519 -10.185
  151    H    TRP  18           H        TRP  18   3.758   3.358  -5.348
  152    HA   TRP  18           HA       TRP  18   6.530   3.885  -5.686
  153   1HB   TRP  18          1HB       TRP  18   5.178   2.286  -3.509
  154   2HB   TRP  18          2HB       TRP  18   6.760   3.038  -3.451
  155    HD1  TRP  18           HD1      TRP  18   5.849   5.953  -4.620
  156    HE1  TRP  18           HE1      TRP  18   4.475   7.647  -3.135
  157    HE3  TRP  18           HE3      TRP  18   4.048   2.468  -1.384
  158    HZ2  TRP  18           HZ2      TRP  18   2.825   7.345  -0.825
  159    HZ3  TRP  18           HZ3      TRP  18   2.563   3.253   0.458
  160    HH2  TRP  18           HH2      TRP  18   1.946   5.598   0.766
  161    H    SER  19           H        SER  19   4.480   0.894  -5.403
  162    HA   SER  19           HA       SER  19   6.514  -0.909  -5.680
  163   1HB   SER  19          1HB       SER  19   3.589  -1.042  -6.513
  164   2HB   SER  19          2HB       SER  19   4.653  -2.431  -6.608
  165    HG   SER  19           HG       SER  19   4.092  -0.910  -4.204
  166    H    ASP  20           H        ASP  20   5.110   1.284  -8.013
  167    HA   ASP  20           HA       ASP  20   5.764  -0.258 -10.289
  168   1HB   ASP  20          1HB       ASP  20   4.620   2.399  -9.672
  169   2HB   ASP  20          2HB       ASP  20   5.635   2.425 -11.099
  170    HD2  ASP  20           HD2      ASP  20   4.592   0.855 -13.001
  171    H    VAL  21           H        VAL  21   7.173   2.529  -8.453
  172    HA   VAL  21           HA       VAL  21   9.306   3.016 -10.206
  173    HB   VAL  21           HB       VAL  21   8.922   3.551  -7.256
  174   1HG1  VAL  21          1HG1      VAL  21  10.688   5.456  -8.294
  175   2HG1  VAL  21          2HG1      VAL  21  11.085   4.117  -7.191
  176   3HG1  VAL  21          3HG1      VAL  21  11.263   3.905  -8.950
  177   1HG2  VAL  21          1HG2      VAL  21   8.755   5.961  -8.504
  178   2HG2  VAL  21          2HG2      VAL  21   8.067   4.896  -9.753
  179   3HG2  VAL  21          3HG2      VAL  21   7.353   4.932  -8.122
  180    H    GLY  22           H        GLY  22   8.666   0.503  -7.843
  181   1HA   GLY  22          1HA       GLY  22  11.501  -0.289  -7.826
  182   2HA   GLY  22          2HA       GLY  22  10.256  -0.825  -6.715
  183    H    LEU  23           H        LEU  23  10.199  -0.611 -10.336
  184    HA   LEU  23           HA       LEU  23  10.366  -3.474 -10.553
  185   1HB   LEU  23          1HB       LEU  23   7.909  -2.644  -9.993
  186   2HB   LEU  23          2HB       LEU  23   7.883  -2.299 -11.711
  187    HG   LEU  23           HG       LEU  23   8.895  -4.987 -11.063
  188   1HD1  LEU  23          1HD1      LEU  23   7.082  -5.947 -10.078
  189   2HD1  LEU  23          2HD1      LEU  23   6.974  -4.328  -9.347
  190   3HD1  LEU  23          3HD1      LEU  23   5.942  -4.748 -10.735
  191   1HD2  LEU  23          1HD2      LEU  23   6.790  -5.291 -12.767
  192   2HD2  LEU  23          2HD2      LEU  23   7.286  -3.619 -13.119
  193   3HD2  LEU  23          3HD2      LEU  23   8.464  -4.946 -13.266
  194    H    CYS  24           H        CYS  24   9.586  -0.311 -12.120
  195    HA   CYS  24           HA       CYS  24  10.374  -1.180 -14.678
  196   1HB   CYS  24          1HB       CYS  24   9.664   1.430 -13.413
  197   2HB   CYS  24          2HB       CYS  24  10.596   1.491 -14.896
  198    HG   CYS  24           HG       CYS  24   9.039   0.235 -16.418
  199    H    LYS  25           H        LYS  25  12.037  -0.177 -11.763
  200    HA   LYS  25           HA       LYS  25  14.537   0.003 -13.299
  201   1HB   LYS  25          1HB       LYS  25  13.449   2.053 -11.884
  202   2HB   LYS  25          2HB       LYS  25  14.411   1.294 -10.632
  203   1HG   LYS  25          1HG       LYS  25  16.147   2.493 -11.506
  204   2HG   LYS  25          2HG       LYS  25  16.192   1.249 -12.740
  205   1HD   LYS  25          1HD       LYS  25  15.439   2.671 -14.355
  206   2HD   LYS  25          2HD       LYS  25  14.144   3.273 -13.338
  207   1HE   LYS  25          1HE       LYS  25  15.815   4.732 -12.129
  208   2HE   LYS  25          2HE       LYS  25  17.064   4.173 -13.225
  209   1HZ   LYS  25          1HZ       LYS  25  15.313   4.979 -15.012
  210   2HZ   LYS  25          2HZ       LYS  25  14.802   5.940 -13.802
  211    H    LYS  26           H        LYS  26  13.503  -2.493 -12.649
  212    HA   LYS  26           HA       LYS  26  15.331  -3.265 -10.489
  213   1HB   LYS  26          1HB       LYS  26  13.068  -3.303  -9.586
  214   2HB   LYS  26          2HB       LYS  26  12.508  -4.278 -10.930
  215   1HG   LYS  26          1HG       LYS  26  12.905  -5.941  -9.338
  216   2HG   LYS  26          2HG       LYS  26  14.439  -5.940 -10.185
  217   1HD   LYS  26          1HD       LYS  26  15.500  -4.600  -8.468
  218   2HD   LYS  26          2HD       LYS  26  13.963  -4.209  -7.724
  219   1HE   LYS  26          1HE       LYS  26  13.792  -6.259  -6.652
  220   2HE   LYS  26          2HE       LYS  26  14.578  -7.131  -7.953
  221   1HZ   LYS  26          1HZ       LYS  26  15.757  -6.201  -5.595
  222   2HZ   LYS  26          2HZ       LYS  26  16.492  -6.994  -6.814
  223    H    ARG  27           H        ARG  27  13.316  -5.659 -12.047
  224    HA   ARG  27           HA       ARG  27  15.220  -7.289 -12.806
  225   1HB   ARG  27          1HB       ARG  27  12.627  -7.433 -13.131
  226   2HB   ARG  27          2HB       ARG  27  12.908  -6.737 -14.715
  227   1HG   ARG  27          1HG       ARG  27  13.959  -8.643 -15.532
  228   2HG   ARG  27          2HG       ARG  27  14.643  -9.069 -13.976
  229   1HD   ARG  27          1HD       ARG  27  11.650  -9.266 -14.532
  230   2HD   ARG  27          2HD       ARG  27  12.748 -10.590 -14.870
  231    HE   ARG  27           HE       ARG  27  13.191  -9.671 -12.184
  232   1HH1  ARG  27          1HH1      ARG  27  10.799 -11.448 -14.101
  233   2HH1  ARG  27          2HH1      ARG  27  10.203 -12.351 -12.749
  234   1HH2  ARG  27          1HH2      ARG  27  11.162 -11.989 -10.582
  235    HA   PRO  28           HA       PRO  28  17.293  -4.719 -15.809
  236   1HB   PRO  28          1HB       PRO  28  19.759  -5.871 -15.563
  237   2HB   PRO  28          2HB       PRO  28  19.229  -4.522 -14.578
  238   1HG   PRO  28          1HG       PRO  28  19.493  -7.370 -13.832
  239   2HG   PRO  28          2HG       PRO  28  19.383  -5.967 -12.787
  240   1HD   PRO  28          1HD       PRO  28  17.296  -7.850 -13.358
  241   2HD   PRO  28          2HD       PRO  28  17.155  -6.385 -12.407
  242    H    LYS  29           H        LYS  29  17.473  -4.870 -17.984
  243    HA   LYS  29           HA       LYS  29  16.699  -7.361 -19.071
  244   1HB   LYS  29          1HB       LYS  29  16.820  -4.665 -19.900
  245   2HB   LYS  29          2HB       LYS  29  17.848  -5.548 -21.012
  246   1HG   LYS  29          1HG       LYS  29  15.162  -6.735 -20.300
  247   2HG   LYS  29          2HG       LYS  29  15.201  -5.374 -21.403
  248   1HD   LYS  29          1HD       LYS  29  17.222  -6.959 -22.438
  249   2HD   LYS  29          2HD       LYS  29  16.123  -8.175 -21.819
  250   1HE   LYS  29          1HE       LYS  29  14.690  -7.838 -23.546
  251   2HE   LYS  29          2HE       LYS  29  14.571  -6.130 -23.171
  252   1HZ   LYS  29          1HZ       LYS  29  16.912  -7.194 -24.636
  253   2HZ   LYS  29          2HZ       LYS  29  15.557  -6.760 -25.426
  254    HA   PRO  30           HA       PRO  30  21.255  -7.587 -20.296
  255   1HB   PRO  30          1HB       PRO  30  23.049  -5.784 -19.297
  256   2HB   PRO  30          2HB       PRO  30  22.290  -5.612 -20.867
  257   1HG   PRO  30          1HG       PRO  30  21.718  -4.150 -18.362
  258   2HG   PRO  30          2HG       PRO  30  21.292  -3.718 -20.005
  259   1HD   PRO  30          1HD       PRO  30  19.547  -4.817 -18.013
  260   2HD   PRO  30          2HD       PRO  30  19.151  -4.493 -19.689
  Start of MODEL   14
    1   1H    MET   1           H1       MET   1 -20.499  -0.925  -9.848
    2    HA   MET   1           HA       MET   1 -18.101  -2.232 -10.390
    3   1HB   MET   1          1HB       MET   1 -19.041   0.673 -10.616
    4   2HB   MET   1          2HB       MET   1 -17.456   0.179 -11.179
    5   1HG   MET   1          1HG       MET   1 -19.208  -1.740 -12.293
    6   2HG   MET   1          2HG       MET   1 -20.084  -0.230 -12.437
    7   1HE   MET   1          1HE       MET   1 -17.542  -1.549 -15.571
    8   2HE   MET   1          2HE       MET   1 -17.753  -2.514 -14.090
    9   3HE   MET   1          3HE       MET   1 -19.176  -1.865 -14.942
   10    H    VAL   2           H        VAL   2 -18.659   0.813  -8.465
   11    HA   VAL   2           HA       VAL   2 -16.411  -0.028  -6.773
   12    HB   VAL   2           HB       VAL   2 -16.973   2.843  -7.462
   13   1HG1  VAL   2          1HG1      VAL   2 -15.548   2.459  -5.538
   14   2HG1  VAL   2          2HG1      VAL   2 -14.515   1.355  -6.479
   15   3HG1  VAL   2          3HG1      VAL   2 -14.567   3.089  -6.883
   16   1HG2  VAL   2          1HG2      VAL   2 -15.333   2.762  -9.249
   17   2HG2  VAL   2          2HG2      VAL   2 -15.072   1.023  -8.977
   18   3HG2  VAL   2          3HG2      VAL   2 -16.640   1.602  -9.590
   19    H    LYS   3           H        LYS   3 -16.484   1.028  -4.569
   20    HA   LYS   3           HA       LYS   3 -18.511   2.447  -3.523
   21   1HB   LYS   3          1HB       LYS   3 -19.515  -0.146  -4.329
   22   2HB   LYS   3          2HB       LYS   3 -19.648   0.039  -2.592
   23   1HG   LYS   3          1HG       LYS   3 -20.512   2.512  -3.354
   24   2HG   LYS   3          2HG       LYS   3 -20.978   1.606  -4.780
   25   1HD   LYS   3          1HD       LYS   3 -22.867   1.106  -3.591
   26   2HD   LYS   3          2HD       LYS   3 -21.862  -0.097  -2.808
   27   1HE   LYS   3          1HE       LYS   3 -21.205   1.771  -1.124
   28   2HE   LYS   3          2HE       LYS   3 -22.524   2.702  -1.805
   29   1HZ   LYS   3          1HZ       LYS   3 -23.335   1.451   0.071
   30   2HZ   LYS   3          2HZ       LYS   3 -24.007   0.793  -1.258
   31    H    SER   4           H        SER   4 -16.336  -0.349  -3.277
   32    HA   SER   4           HA       SER   4 -15.940   0.349  -0.476
   33   1HB   SER   4          1HB       SER   4 -16.519  -2.112  -1.497
   34   2HB   SER   4          2HB       SER   4 -14.769  -2.173  -1.585
   35    HG   SER   4           HG       SER   4 -14.787  -2.611   0.501
   36    H    LYS   5           H        LYS   5 -14.582   0.332  -3.689
   37    HA   LYS   5           HA       LYS   5 -11.855   0.496  -2.719
   38   1HB   LYS   5          1HB       LYS   5 -13.176   0.206  -5.393
   39   2HB   LYS   5          2HB       LYS   5 -11.561   0.881  -5.326
   40   1HG   LYS   5          1HG       LYS   5 -10.883  -1.134  -3.889
   41   2HG   LYS   5          2HG       LYS   5 -12.457  -1.825  -4.233
   42   1HD   LYS   5          1HD       LYS   5 -11.327  -2.767  -6.007
   43   2HD   LYS   5          2HD       LYS   5 -11.720  -1.242  -6.777
   44   1HE   LYS   5          1HE       LYS   5  -9.371  -1.552  -7.151
   45   2HE   LYS   5          2HE       LYS   5  -9.481  -0.339  -5.891
   46   1HZ   LYS   5          1HZ       LYS   5  -7.928  -2.391  -5.570
   47   2HZ   LYS   5          2HZ       LYS   5  -8.776  -1.847  -4.291
   48    H    ILE   6           H        ILE   6 -13.131   2.473  -1.460
   49    HA   ILE   6           HA       ILE   6 -13.009   4.857  -3.112
   50    HB   ILE   6           HB       ILE   6 -13.886   4.361  -0.268
   51   1HG1  ILE   6          1HG1      ILE   6 -15.576   5.193  -2.633
   52   2HG1  ILE   6          2HG1      ILE   6 -15.285   3.509  -2.242
   53   1HG2  ILE   6          1HG2      ILE   6 -13.943   6.545   0.151
   54   2HG2  ILE   6          2HG2      ILE   6 -12.912   6.757  -1.284
   55   3HG2  ILE   6          3HG2      ILE   6 -14.680   6.909  -1.428
   56   1HD1  ILE   6          1HD1      ILE   6 -17.370   4.877  -1.218
   57   2HD1  ILE   6          2HD1      ILE   6 -16.556   3.584  -0.305
   58   3HD1  ILE   6          3HD1      ILE   6 -16.156   5.289   0.017
   59    H    GLY   7           H        GLY   7 -12.153   5.136   0.269
   60   1HA   GLY   7          1HA       GLY   7  -9.766   6.505  -0.275
   61   2HA   GLY   7          2HA       GLY   7 -10.288   5.882   1.279
   62    H    SER   8           H        SER   8 -10.519   3.053   0.100
   63    HA   SER   8           HA       SER   8  -7.887   2.304   0.763
   64   1HB   SER   8          1HB       SER   8 -10.467   1.026   0.367
   65   2HB   SER   8          2HB       SER   8  -9.234   0.114  -0.479
   66    HG   SER   8           HG       SER   8  -8.821   0.982   2.236
   67    H    TRP   9           H        TRP   9  -9.504   3.260  -2.164
   68    HA   TRP   9           HA       TRP   9  -7.801   1.759  -3.928
   69   1HB   TRP   9          1HB       TRP   9  -9.836   2.083  -4.900
   70   2HB   TRP   9          2HB       TRP   9 -10.064   3.670  -4.193
   71    HD1  TRP   9           HD1      TRP   9  -9.465   5.728  -5.744
   72    HE1  TRP   9           HE1      TRP   9  -8.464   6.116  -8.155
   73    HE3  TRP   9           HE3      TRP   9  -8.030   0.908  -6.497
   74    HZ2  TRP   9           HZ2      TRP   9  -7.213   4.403 -10.063
   75    HZ3  TRP   9           HZ3      TRP   9  -6.926   0.349  -8.660
   76    HH2  TRP   9           HH2      TRP   9  -6.512   2.004 -10.411
   77    H    ILE  10           H        ILE  10  -8.269   5.235  -2.961
   78    HA   ILE  10           HA       ILE  10  -6.148   6.258  -4.407
   79    HB   ILE  10           HB       ILE  10  -8.048   7.429  -3.179
   80   1HG1  ILE  10          1HG1      ILE  10  -6.170   8.528  -4.416
   81   2HG1  ILE  10          2HG1      ILE  10  -6.856   9.489  -3.122
   82   1HG2  ILE  10          1HG2      ILE  10  -6.680   6.386  -0.925
   83   2HG2  ILE  10          2HG2      ILE  10  -6.503   8.156  -0.882
   84   3HG2  ILE  10          3HG2      ILE  10  -8.124   7.427  -0.965
   85   1HD1  ILE  10          1HD1      ILE  10  -4.795   7.954  -1.903
   86   2HD1  ILE  10          2HD1      ILE  10  -4.125   8.549  -3.442
   87   3HD1  ILE  10          3HD1      ILE  10  -4.779   9.700  -2.252
   88    H    LEU  11           H        LEU  11  -6.213   4.296  -1.487
   89    HA   LEU  11           HA       LEU  11  -3.545   5.026  -0.716
   90   1HB   LEU  11          1HB       LEU  11  -5.788   3.748   0.457
   91   2HB   LEU  11          2HB       LEU  11  -4.468   2.595   0.484
   92    HG   LEU  11           HG       LEU  11  -4.558   3.874   2.550
   93   1HD1  LEU  11          1HD1      LEU  11  -2.231   3.850   0.772
   94   2HD1  LEU  11          2HD1      LEU  11  -2.141   5.091   2.045
   95   3HD1  LEU  11          3HD1      LEU  11  -2.381   3.383   2.483
   96   1HD2  LEU  11          1HD2      LEU  11  -4.707   6.122   2.739
   97   2HD2  LEU  11          2HD2      LEU  11  -3.711   6.427   1.296
   98   3HD2  LEU  11          3HD2      LEU  11  -5.423   5.975   1.116
   99    H    VAL  12           H        VAL  12  -5.207   2.264  -2.343
  100    HA   VAL  12           HA       VAL  12  -2.900   0.691  -2.590
  101    HB   VAL  12           HB       VAL  12  -5.602   0.809  -3.869
  102   1HG1  VAL  12          1HG1      VAL  12  -5.022  -1.244  -5.179
  103   2HG1  VAL  12          2HG1      VAL  12  -4.211   0.233  -5.751
  104   3HG1  VAL  12          3HG1      VAL  12  -3.310  -0.958  -4.783
  105   1HG2  VAL  12          1HG2      VAL  12  -5.656  -1.547  -2.935
  106   2HG2  VAL  12          2HG2      VAL  12  -4.097  -1.186  -2.156
  107   3HG2  VAL  12          3HG2      VAL  12  -5.544  -0.240  -1.732
  108    H    LEU  13           H        LEU  13  -3.813   3.674  -4.048
  109    HA   LEU  13           HA       LEU  13  -2.464   3.217  -6.533
  110   1HB   LEU  13          1HB       LEU  13  -3.624   5.666  -5.207
  111   2HB   LEU  13          2HB       LEU  13  -2.820   5.706  -6.764
  112    HG   LEU  13           HG       LEU  13  -5.534   4.910  -6.082
  113   1HD1  LEU  13          1HD1      LEU  13  -4.232   6.438  -7.996
  114   2HD1  LEU  13          2HD1      LEU  13  -4.852   5.042  -8.912
  115   3HD1  LEU  13          3HD1      LEU  13  -5.967   6.041  -7.950
  116   1HD2  LEU  13          1HD2      LEU  13  -4.669   2.638  -6.254
  117   2HD2  LEU  13          2HD2      LEU  13  -5.727   3.018  -7.633
  118   3HD2  LEU  13          3HD2      LEU  13  -3.959   3.009  -7.843
  119    H    PHE  14           H        PHE  14  -1.829   5.258  -3.592
  120    HA   PHE  14           HA       PHE  14   0.640   6.171  -4.323
  121   1HB   PHE  14          1HB       PHE  14  -0.517   5.252  -1.624
  122   2HB   PHE  14          2HB       PHE  14   0.951   6.201  -1.745
  123    HD1  PHE  14           HD1      PHE  14  -1.939   6.731  -0.489
  124    HD2  PHE  14           HD2      PHE  14   0.116   8.074  -3.950
  125    HE1  PHE  14           HE1      PHE  14  -3.301   8.839  -0.480
  126    HE2  PHE  14           HE2      PHE  14  -1.247  10.181  -3.942
  127    HZ   PHE  14           HZ       PHE  14  -2.939  10.539  -2.207
  128    H    VAL  15           H        VAL  15  -0.276   3.002  -2.894
  129    HA   VAL  15           HA       VAL  15   2.469   2.232  -2.553
  130    HB   VAL  15           HB       VAL  15   1.513   0.111  -1.840
  131   1HG1  VAL  15          1HG1      VAL  15   0.909   0.914   0.186
  132   2HG1  VAL  15          2HG1      VAL  15   1.350   2.487  -0.522
  133   3HG1  VAL  15          3HG1      VAL  15  -0.355   1.971  -0.490
  134   1HG2  VAL  15          1HG2      VAL  15  -0.329  -0.487  -3.031
  135   2HG2  VAL  15          2HG2      VAL  15  -1.172   0.287  -1.669
  136   3HG2  VAL  15          3HG2      VAL  15  -0.914   1.188  -3.183
  137    H    ALA  16           H        ALA  16   0.006   2.142  -5.065
  138    HA   ALA  16           HA       ALA  16   1.138  -0.024  -6.514
  139   1HB   ALA  16          1HB       ALA  16  -0.338   1.024  -8.358
  140   2HB   ALA  16          2HB       ALA  16  -1.154   0.441  -6.888
  141   3HB   ALA  16          3HB       ALA  16  -0.855   2.181  -7.109
  142    H    MET  17           H        MET  17   1.514   3.550  -6.477
  143    HA   MET  17           HA       MET  17   3.041   3.651  -8.814
  144   1HB   MET  17          1HB       MET  17   1.813   5.525  -7.392
  145   2HB   MET  17          2HB       MET  17   3.300   5.586  -6.468
  146   1HG   MET  17          1HG       MET  17   3.809   7.184  -8.078
  147   2HG   MET  17          2HG       MET  17   4.419   5.764  -8.904
  148   1HE   MET  17          1HE       MET  17   4.028   7.134 -11.409
  149   2HE   MET  17          2HE       MET  17   4.068   5.389 -11.060
  150   3HE   MET  17          3HE       MET  17   2.814   6.054 -12.135
  151    H    TRP  18           H        TRP  18   3.991   3.783  -5.304
  152    HA   TRP  18           HA       TRP  18   6.728   3.867  -5.729
  153   1HB   TRP  18          1HB       TRP  18   6.332   4.328  -3.578
  154   2HB   TRP  18          2HB       TRP  18   4.898   3.322  -3.503
  155    HD1  TRP  18           HD1      TRP  18   8.618   2.235  -4.075
  156    HE1  TRP  18           HE1      TRP  18   9.309   0.374  -2.337
  157    HE3  TRP  18           HE3      TRP  18   4.202   2.208  -1.556
  158    HZ2  TRP  18           HZ2      TRP  18   7.961  -0.873  -0.152
  159    HZ3  TRP  18           HZ3      TRP  18   3.970   0.639   0.366
  160    HH2  TRP  18           HH2      TRP  18   5.760  -0.866   1.079
  161    H    SER  19           H        SER  19   4.359   1.327  -6.183
  162    HA   SER  19           HA       SER  19   6.384  -0.720  -6.075
  163   1HB   SER  19          1HB       SER  19   4.101  -1.122  -5.133
  164   2HB   SER  19          2HB       SER  19   3.408  -0.900  -6.728
  165    HG   SER  19           HG       SER  19   5.501  -2.794  -6.582
  166    H    ASP  20           H        ASP  20   4.662   1.340  -8.356
  167    HA   ASP  20           HA       ASP  20   5.095  -0.333 -10.591
  168   1HB   ASP  20          1HB       ASP  20   3.610   1.987 -10.011
  169   2HB   ASP  20          2HB       ASP  20   4.814   2.550 -11.152
  170    HD2  ASP  20           HD2      ASP  20   2.629   1.934 -13.462
  171    H    VAL  21           H        VAL  21   6.610   2.618  -9.130
  172    HA   VAL  21           HA       VAL  21   8.477   3.109 -11.128
  173    HB   VAL  21           HB       VAL  21   9.742   4.128  -9.096
  174   1HG1  VAL  21          1HG1      VAL  21   7.424   5.709  -9.011
  175   2HG1  VAL  21          2HG1      VAL  21   8.824   5.904 -10.092
  176   3HG1  VAL  21          3HG1      VAL  21   7.417   4.952 -10.623
  177   1HG2  VAL  21          1HG2      VAL  21   7.226   4.269  -7.608
  178   2HG2  VAL  21          2HG2      VAL  21   7.894   2.621  -7.677
  179   3HG2  VAL  21          3HG2      VAL  21   8.882   3.955  -7.034
  180    H    GLY  22           H        GLY  22   8.515   0.896  -8.294
  181   1HA   GLY  22          1HA       GLY  22  11.240   0.062  -8.884
  182   2HA   GLY  22          2HA       GLY  22  10.222  -0.458  -7.555
  183    H    LEU  23           H        LEU  23   9.480  -0.402 -11.100
  184    HA   LEU  23           HA       LEU  23   9.666  -3.292 -11.180
  185   1HB   LEU  23          1HB       LEU  23   7.245  -2.139 -10.542
  186   2HB   LEU  23          2HB       LEU  23   7.123  -2.349 -12.278
  187    HG   LEU  23           HG       LEU  23   8.039  -4.650 -10.578
  188   1HD1  LEU  23          1HD1      LEU  23   5.192  -3.674 -10.859
  189   2HD1  LEU  23          2HD1      LEU  23   5.613  -5.349 -10.430
  190   3HD1  LEU  23          3HD1      LEU  23   6.107  -4.008  -9.370
  191   1HD2  LEU  23          1HD2      LEU  23   7.373  -5.989 -12.345
  192   2HD2  LEU  23          2HD2      LEU  23   6.238  -4.775 -12.981
  193   3HD2  LEU  23          3HD2      LEU  23   7.992  -4.542 -13.174
  194    H    CYS  24           H        CYS  24   8.343  -0.448 -13.026
  195    HA   CYS  24           HA       CYS  24   8.904  -1.387 -15.519
  196   1HB   CYS  24          1HB       CYS  24   8.603   1.345 -14.340
  197   2HB   CYS  24          2HB       CYS  24   9.255   1.230 -15.962
  198    HG   CYS  24           HG       CYS  24   6.505   1.624 -15.620
  199    H    LYS  25           H        LYS  25  10.853  -2.241 -16.182
  200    HA   LYS  25           HA       LYS  25  13.003  -2.381 -16.664
  201   1HB   LYS  25          1HB       LYS  25  12.646   0.016 -17.395
  202   2HB   LYS  25          2HB       LYS  25  13.301   0.521 -15.851
  203   1HG   LYS  25          1HG       LYS  25  15.460  -0.188 -16.365
  204   2HG   LYS  25          2HG       LYS  25  14.908  -1.497 -17.390
  205   1HD   LYS  25          1HD       LYS  25  14.025   0.923 -18.639
  206   2HD   LYS  25          2HD       LYS  25  15.683   1.202 -18.146
  207   1HE   LYS  25          1HE       LYS  25  16.130  -1.187 -19.202
  208   2HE   LYS  25          2HE       LYS  25  14.604  -0.924 -20.023
  209   1HZ   LYS  25          1HZ       LYS  25  15.583   1.267 -20.778
  210   2HZ   LYS  25          2HZ       LYS  25  17.029   0.772 -20.213
  211    H    LYS  26           H        LYS  26  12.104  -3.371 -14.220
  212    HA   LYS  26           HA       LYS  26  14.196  -2.564 -12.337
  213   1HB   LYS  26          1HB       LYS  26  11.700  -2.562 -11.719
  214   2HB   LYS  26          2HB       LYS  26  11.804  -4.311 -11.737
  215   1HG   LYS  26          1HG       LYS  26  14.058  -3.561 -10.244
  216   2HG   LYS  26          2HG       LYS  26  12.850  -2.391  -9.749
  217   1HD   LYS  26          1HD       LYS  26  12.591  -4.254  -8.258
  218   2HD   LYS  26          2HD       LYS  26  11.242  -4.354  -9.372
  219   1HE   LYS  26          1HE       LYS  26  13.655  -5.788 -10.333
  220   2HE   LYS  26          2HE       LYS  26  13.041  -6.415  -8.816
  221   1HZ   LYS  26          1HZ       LYS  26  12.038  -7.132 -11.171
  222   2HZ   LYS  26          2HZ       LYS  26  11.130  -7.128  -9.818
  223    H    ARG  27           H        ARG  27  13.331  -4.938 -14.683
  224    HA   ARG  27           HA       ARG  27  14.461  -7.160 -13.436
  225   1HB   ARG  27          1HB       ARG  27  13.151  -6.565 -15.896
  226   2HB   ARG  27          2HB       ARG  27  14.708  -7.225 -16.357
  227   1HG   ARG  27          1HG       ARG  27  13.856  -8.905 -14.257
  228   2HG   ARG  27          2HG       ARG  27  12.389  -8.585 -15.160
  229   1HD   ARG  27          1HD       ARG  27  14.955  -9.391 -16.584
  230   2HD   ARG  27          2HD       ARG  27  13.885 -10.600 -15.905
  231    HE   ARG  27           HE       ARG  27  13.326  -8.863 -18.225
  232   1HH1  ARG  27          1HH1      ARG  27  11.994 -11.123 -15.843
  233   2HH1  ARG  27          2HH1      ARG  27  10.595 -11.495 -16.794
  234   1HH2  ARG  27          1HH2      ARG  27  10.314 -10.443 -18.928
  235    HA   PRO  28           HA       PRO  28  18.698  -6.495 -14.216
  236   1HB   PRO  28          1HB       PRO  28  19.676  -9.037 -14.432
  237   2HB   PRO  28          2HB       PRO  28  19.321  -8.276 -12.895
  238   1HG   PRO  28          1HG       PRO  28  17.791 -10.360 -14.328
  239   2HG   PRO  28          2HG       PRO  28  17.700  -9.898 -12.640
  240   1HD   PRO  28          1HD       PRO  28  15.837  -9.212 -14.710
  241   2HD   PRO  28          2HD       PRO  28  15.811  -8.655 -13.048
  242    H    LYS  29           H        LYS  29  19.502  -5.468 -15.925
  243    HA   LYS  29           HA       LYS  29  20.073  -5.106 -18.027
  244   1HB   LYS  29          1HB       LYS  29  20.517  -8.078 -17.830
  245   2HB   LYS  29          2HB       LYS  29  20.777  -7.243 -19.348
  246   1HG   LYS  29          1HG       LYS  29  22.676  -6.197 -18.598
  247   2HG   LYS  29          2HG       LYS  29  21.980  -5.839 -17.031
  248   1HD   LYS  29          1HD       LYS  29  22.918  -8.628 -17.841
  249   2HD   LYS  29          2HD       LYS  29  23.943  -7.477 -17.006
  250   1HE   LYS  29          1HE       LYS  29  22.447  -7.428 -15.074
  251   2HE   LYS  29          2HE       LYS  29  21.225  -8.351 -15.926
  252   1HZ   LYS  29          1HZ       LYS  29  22.543 -10.283 -15.821
  253   2HZ   LYS  29          2HZ       LYS  29  23.924  -9.480 -15.503
  254    HA   PRO  30           HA       PRO  30  16.564  -5.498 -20.506
  255   1HB   PRO  30          1HB       PRO  30  17.523  -5.051 -23.025
  256   2HB   PRO  30          2HB       PRO  30  17.215  -3.766 -21.875
  257   1HG   PRO  30          1HG       PRO  30  19.805  -4.912 -22.726
  258   2HG   PRO  30          2HG       PRO  30  19.490  -3.383 -21.928
  259   1HD   PRO  30          1HD       PRO  30  20.525  -5.770 -20.719
  260   2HD   PRO  30          2HD       PRO  30  20.101  -4.279 -19.900
  Start of MODEL   15
    1   1H    MET   1           H1       MET   1 -15.084  -1.528   7.878
    2    HA   MET   1           HA       MET   1 -16.663  -3.376   7.171
    3   1HB   MET   1          1HB       MET   1 -17.715  -2.669   9.682
    4   2HB   MET   1          2HB       MET   1 -18.813  -1.868   8.575
    5   1HG   MET   1          1HG       MET   1 -18.940  -4.144   7.313
    6   2HG   MET   1          2HG       MET   1 -18.157  -4.841   8.717
    7   1HE   MET   1          1HE       MET   1 -21.296  -5.018   7.258
    8   2HE   MET   1          2HE       MET   1 -20.572  -6.259   8.310
    9   3HE   MET   1          3HE       MET   1 -22.153  -5.553   8.723
   10    H    VAL   2           H        VAL   2 -16.050  -2.182   5.262
   11    HA   VAL   2           HA       VAL   2 -17.744   0.175   4.792
   12    HB   VAL   2           HB       VAL   2 -15.078  -0.472   3.527
   13   1HG1  VAL   2          1HG1      VAL   2 -16.164   0.967   2.057
   14   2HG1  VAL   2          2HG1      VAL   2 -16.997   1.844   3.364
   15   3HG1  VAL   2          3HG1      VAL   2 -15.256   2.095   3.092
   16   1HG2  VAL   2          1HG2      VAL   2 -14.408  -0.051   5.699
   17   2HG2  VAL   2          2HG2      VAL   2 -14.400   1.590   5.011
   18   3HG2  VAL   2          3HG2      VAL   2 -15.765   1.055   6.020
   19    H    LYS   3           H        LYS   3 -18.096   0.476   2.289
   20    HA   LYS   3           HA       LYS   3 -19.265  -2.001   1.402
   21   1HB   LYS   3          1HB       LYS   3 -20.568   0.032   1.242
   22   2HB   LYS   3          2HB       LYS   3 -19.321   0.821   0.299
   23   1HG   LYS   3          1HG       LYS   3 -20.401   0.055  -1.549
   24   2HG   LYS   3          2HG       LYS   3 -19.777  -1.532  -1.143
   25   1HD   LYS   3          1HD       LYS   3 -21.889  -2.267  -0.784
   26   2HD   LYS   3          2HD       LYS   3 -22.063  -1.120   0.531
   27   1HE   LYS   3          1HE       LYS   3 -22.353  -0.045  -2.266
   28   2HE   LYS   3          2HE       LYS   3 -23.649  -1.060  -1.664
   29   1HZ   LYS   3          1HZ       LYS   3 -22.796   0.916   0.250
   30   2HZ   LYS   3          2HZ       LYS   3 -23.380   1.583  -1.115
   31    H    SER   4           H        SER   4 -18.043   0.155  -1.071
   32    HA   SER   4           HA       SER   4 -16.423  -2.010  -2.026
   33   1HB   SER   4          1HB       SER   4 -17.316   0.653  -3.178
   34   2HB   SER   4          2HB       SER   4 -16.085  -0.303  -3.980
   35    HG   SER   4           HG       SER   4 -17.903  -1.093  -4.910
   36    H    LYS   5           H        LYS   5 -16.095   0.969  -0.239
   37    HA   LYS   5           HA       LYS   5 -14.366   2.115   0.516
   38   1HB   LYS   5          1HB       LYS   5 -13.788  -0.502   0.979
   39   2HB   LYS   5          2HB       LYS   5 -12.375  -0.034   0.055
   40   1HG   LYS   5          1HG       LYS   5 -11.846   1.765   1.599
   41   2HG   LYS   5          2HG       LYS   5 -13.396   1.619   2.405
   42   1HD   LYS   5          1HD       LYS   5 -12.769  -0.285   3.591
   43   2HD   LYS   5          2HD       LYS   5 -11.692  -0.854   2.331
   44   1HE   LYS   5          1HE       LYS   5  -9.940  -0.002   3.490
   45   2HE   LYS   5          2HE       LYS   5 -10.570   1.609   3.210
   46   1HZ   LYS   5          1HZ       LYS   5 -12.039   1.165   5.227
   47   2HZ   LYS   5          2HZ       LYS   5 -11.109  -0.135   5.542
   48    H    ILE   6           H        ILE   6 -14.665   3.482  -1.434
   49    HA   ILE   6           HA       ILE   6 -13.097   3.043  -3.728
   50    HB   ILE   6           HB       ILE   6 -13.729   5.308  -4.322
   51   1HG1  ILE   6          1HG1      ILE   6 -14.590   5.503  -1.433
   52   2HG1  ILE   6          2HG1      ILE   6 -13.473   6.533  -2.307
   53   1HG2  ILE   6          1HG2      ILE   6 -16.224   4.256  -3.076
   54   2HG2  ILE   6          2HG2      ILE   6 -15.912   4.814  -4.737
   55   3HG2  ILE   6          3HG2      ILE   6 -15.351   3.207  -4.217
   56   1HD1  ILE   6          1HD1      ILE   6 -15.766   6.743  -3.861
   57   2HD1  ILE   6          2HD1      ILE   6 -16.428   6.616  -2.214
   58   3HD1  ILE   6          3HD1      ILE   6 -15.267   7.906  -2.610
   59    H    GLY   7           H        GLY   7 -12.697   5.340  -0.937
   60   1HA   GLY   7          1HA       GLY   7 -10.332   6.499  -1.582
   61   2HA   GLY   7          2HA       GLY   7 -10.814   6.093   0.052
   62    H    SER   8           H        SER   8 -10.891   3.140  -0.467
   63    HA   SER   8           HA       SER   8  -8.369   2.524   0.353
   64   1HB   SER   8          1HB       SER   8 -10.777   1.142  -0.203
   65   2HB   SER   8          2HB       SER   8  -9.564   0.329  -1.171
   66    HG   SER   8           HG       SER   8  -8.251   0.438   0.972
   67    H    TRP   9           H        TRP   9  -9.534   3.307  -2.839
   68    HA   TRP   9           HA       TRP   9  -7.560   1.859  -4.296
   69   1HB   TRP   9          1HB       TRP   9  -9.589   3.970  -4.939
   70   2HB   TRP   9          2HB       TRP   9  -8.326   3.594  -6.094
   71    HD1  TRP   9           HD1      TRP   9 -11.690   2.388  -5.010
   72    HE1  TRP   9           HE1      TRP   9 -12.394   0.120  -6.161
   73    HE3  TRP   9           HE3      TRP   9  -7.082   1.283  -6.855
   74    HZ2  TRP   9           HZ2      TRP   9 -10.977  -1.836  -7.680
   75    HZ3  TRP   9           HZ3      TRP   9  -6.828  -0.825  -8.161
   76    HH2  TRP   9           HH2      TRP   9  -8.682  -2.360  -8.584
   77    H    ILE  10           H        ILE  10  -8.059   5.322  -3.304
   78    HA   ILE  10           HA       ILE  10  -5.817   6.411  -4.387
   79    HB   ILE  10           HB       ILE  10  -7.488   6.983  -1.991
   80   1HG1  ILE  10          1HG1      ILE  10  -8.151   7.606  -4.319
   81   2HG1  ILE  10          2HG1      ILE  10  -8.076   8.952  -3.199
   82   1HG2  ILE  10          1HG2      ILE  10  -5.509   7.614  -0.967
   83   2HG2  ILE  10          2HG2      ILE  10  -4.757   8.133  -2.493
   84   3HG2  ILE  10          3HG2      ILE  10  -6.036   9.123  -1.750
   85   1HD1  ILE  10          1HD1      ILE  10  -6.327   8.329  -5.546
   86   2HD1  ILE  10          2HD1      ILE  10  -6.865   9.903  -4.914
   87   3HD1  ILE  10          3HD1      ILE  10  -5.523   9.041  -4.127
   88    H    LEU  11           H        LEU  11  -6.130   4.539  -1.324
   89    HA   LEU  11           HA       LEU  11  -3.437   4.932  -0.569
   90   1HB   LEU  11          1HB       LEU  11  -5.794   3.700   0.460
   91   2HB   LEU  11          2HB       LEU  11  -4.495   2.526   0.524
   92    HG   LEU  11           HG       LEU  11  -4.686   3.775   2.612
   93   1HD1  LEU  11          1HD1      LEU  11  -2.307   3.459   1.060
   94   2HD1  LEU  11          2HD1      LEU  11  -2.168   4.950   2.022
   95   3HD1  LEU  11          3HD1      LEU  11  -2.513   3.401   2.828
   96   1HD2  LEU  11          1HD2      LEU  11  -3.610   6.318   1.793
   97   2HD2  LEU  11          2HD2      LEU  11  -5.133   5.990   0.932
   98   3HD2  LEU  11          3HD2      LEU  11  -5.090   5.953   2.711
   99    H    VAL  12           H        VAL  12  -5.208   2.272  -2.271
  100    HA   VAL  12           HA       VAL  12  -2.953   0.632  -2.554
  101    HB   VAL  12           HB       VAL  12  -5.581   0.863  -4.017
  102   1HG1  VAL  12          1HG1      VAL  12  -3.344  -1.141  -4.425
  103   2HG1  VAL  12          2HG1      VAL  12  -5.028  -1.435  -4.922
  104   3HG1  VAL  12          3HG1      VAL  12  -4.111  -0.088  -5.638
  105   1HG2  VAL  12          1HG2      VAL  12  -4.670  -1.403  -2.246
  106   2HG2  VAL  12          2HG2      VAL  12  -5.358   0.085  -1.551
  107   3HG2  VAL  12          3HG2      VAL  12  -6.323  -0.901  -2.676
  108    H    LEU  13           H        LEU  13  -3.860   3.636  -4.032
  109    HA   LEU  13           HA       LEU  13  -2.458   3.162  -6.486
  110   1HB   LEU  13          1HB       LEU  13  -3.674   5.614  -5.218
  111   2HB   LEU  13          2HB       LEU  13  -2.840   5.643  -6.758
  112    HG   LEU  13           HG       LEU  13  -5.558   4.820  -6.118
  113   1HD1  LEU  13          1HD1      LEU  13  -4.011   5.661  -8.557
  114   2HD1  LEU  13          2HD1      LEU  13  -5.673   5.039  -8.697
  115   3HD1  LEU  13          3HD1      LEU  13  -5.345   6.488  -7.717
  116   1HD2  LEU  13          1HD2      LEU  13  -5.695   2.907  -7.648
  117   2HD2  LEU  13          2HD2      LEU  13  -3.924   2.919  -7.822
  118   3HD2  LEU  13          3HD2      LEU  13  -4.661   2.558  -6.243
  119    H    PHE  14           H        PHE  14  -1.904   5.206  -3.533
  120    HA   PHE  14           HA       PHE  14   0.575   6.147  -4.240
  121   1HB   PHE  14          1HB       PHE  14  -0.553   5.250  -1.520
  122   2HB   PHE  14          2HB       PHE  14   0.817   6.329  -1.698
  123    HD1  PHE  14           HD1      PHE  14  -0.328   7.933  -4.050
  124    HD2  PHE  14           HD2      PHE  14  -1.984   6.724  -0.336
  125    HE1  PHE  14           HE1      PHE  14  -1.884   9.902  -4.103
  126    HE2  PHE  14           HE2      PHE  14  -3.541   8.692  -0.389
  127    HZ   PHE  14           HZ       PHE  14  -3.472  10.258  -2.272
  128    H    VAL  15           H        VAL  15  -0.366   2.986  -2.830
  129    HA   VAL  15           HA       VAL  15   2.379   2.248  -2.387
  130    HB   VAL  15           HB       VAL  15   1.441   0.161  -1.611
  131   1HG1  VAL  15          1HG1      VAL  15  -0.552   1.563  -0.193
  132   2HG1  VAL  15          2HG1      VAL  15   1.137   1.283   0.294
  133   3HG1  VAL  15          3HG1      VAL  15   0.700   2.765  -0.589
  134   1HG2  VAL  15          1HG2      VAL  15  -0.294  -0.425  -3.047
  135   2HG2  VAL  15          2HG2      VAL  15  -1.164   0.040  -1.567
  136   3HG2  VAL  15          3HG2      VAL  15  -1.068   1.174  -2.937
  137    H    ALA  16           H        ALA  16  -0.021   2.109  -4.951
  138    HA   ALA  16           HA       ALA  16   1.274  -0.050  -6.333
  139   1HB   ALA  16          1HB       ALA  16  -1.080   0.139  -6.628
  140   2HB   ALA  16          2HB       ALA  16  -0.977   1.885  -6.960
  141   3HB   ALA  16          3HB       ALA  16  -0.369   0.715  -8.155
  142    H    MET  17           H        MET  17   1.317   3.522  -6.286
  143    HA   MET  17           HA       MET  17   2.640   3.829  -8.717
  144   1HB   MET  17          1HB       MET  17   1.634   5.452  -6.590
  145   2HB   MET  17          2HB       MET  17   3.335   5.858  -6.698
  146   1HG   MET  17          1HG       MET  17   3.143   6.718  -8.871
  147   2HG   MET  17          2HG       MET  17   1.791   5.681  -9.283
  148   1HE   MET  17          1HE       MET  17  -0.334   8.587  -9.719
  149   2HE   MET  17          2HE       MET  17   1.374   9.034  -9.955
  150   3HE   MET  17          3HE       MET  17   0.804   7.414 -10.426
  151    H    TRP  18           H        TRP  18   3.802   3.436  -5.324
  152    HA   TRP  18           HA       TRP  18   6.521   3.880  -5.945
  153   1HB   TRP  18          1HB       TRP  18   5.357   2.339  -3.623
  154   2HB   TRP  18          2HB       TRP  18   6.958   3.044  -3.729
  155    HD1  TRP  18           HD1      TRP  18   6.045   5.970  -4.841
  156    HE1  TRP  18           HE1      TRP  18   4.857   7.724  -3.268
  157    HE3  TRP  18           HE3      TRP  18   4.405   2.580  -1.424
  158    HZ2  TRP  18           HZ2      TRP  18   3.397   7.501  -0.825
  159    HZ3  TRP  18           HZ3      TRP  18   3.106   3.432   0.526
  160    HH2  TRP  18           HH2      TRP  18   2.596   5.799   0.855
  161    H    SER  19           H        SER  19   4.469   0.921  -5.465
  162    HA   SER  19           HA       SER  19   6.431  -0.928  -5.849
  163   1HB   SER  19          1HB       SER  19   3.514  -0.847  -5.868
  164   2HB   SER  19          2HB       SER  19   4.090  -1.976  -7.078
  165    HG   SER  19           HG       SER  19   5.223  -2.026  -4.438
  166    H    ASP  20           H        ASP  20   4.990   1.298  -8.126
  167    HA   ASP  20           HA       ASP  20   5.620  -0.294 -10.406
  168   1HB   ASP  20          1HB       ASP  20   3.705   1.318 -10.364
  169   2HB   ASP  20          2HB       ASP  20   4.827   2.645 -10.145
  170    HD2  ASP  20           HD2      ASP  20   5.319   0.027 -12.375
  171    H    VAL  21           H        VAL  21   6.884   2.562  -8.597
  172    HA   VAL  21           HA       VAL  21   8.920   3.185 -10.458
  173    HB   VAL  21           HB       VAL  21   8.540   3.843  -7.531
  174   1HG1  VAL  21          1HG1      VAL  21  10.402   5.188  -9.516
  175   2HG1  VAL  21          2HG1      VAL  21  10.207   5.568  -7.788
  176   3HG1  VAL  21          3HG1      VAL  21  10.922   4.015  -8.282
  177   1HG2  VAL  21          1HG2      VAL  21   8.160   5.786  -9.788
  178   2HG2  VAL  21          2HG2      VAL  21   6.876   4.607  -9.427
  179   3HG2  VAL  21          3HG2      VAL  21   7.411   5.751  -8.173
  180    H    GLY  22           H        GLY  22   8.513   0.760  -7.953
  181   1HA   GLY  22          1HA       GLY  22  11.405   0.200  -7.946
  182   2HA   GLY  22          2HA       GLY  22  10.226  -0.361  -6.777
  183    H    LEU  23           H        LEU  23  10.261  -0.395 -10.414
  184    HA   LEU  23           HA       LEU  23  10.737  -3.164 -10.571
  185   1HB   LEU  23          1HB       LEU  23   8.442  -3.161  -9.579
  186   2HB   LEU  23          2HB       LEU  23   7.863  -2.356 -11.024
  187    HG   LEU  23           HG       LEU  23   9.178  -4.545 -12.070
  188   1HD1  LEU  23          1HD1      LEU  23   7.779  -6.301 -10.502
  189   2HD1  LEU  23          2HD1      LEU  23   9.529  -5.995 -10.400
  190   3HD1  LEU  23          3HD1      LEU  23   8.413  -5.153  -9.299
  191   1HD2  LEU  23          1HD2      LEU  23   6.274  -4.069 -11.391
  192   2HD2  LEU  23          2HD2      LEU  23   7.109  -3.833 -12.946
  193   3HD2  LEU  23          3HD2      LEU  23   6.827  -5.479 -12.328
  194    H    CYS  24           H        CYS  24   9.174  -0.250 -12.013
  195    HA   CYS  24           HA       CYS  24   9.398  -0.955 -14.650
  196   1HB   CYS  24          1HB       CYS  24   8.431   1.201 -13.375
  197   2HB   CYS  24          2HB       CYS  24   9.947   1.889 -13.920
  198    HG   CYS  24           HG       CYS  24   7.652   0.290 -15.695
  199    H    LYS  25           H        LYS  25  11.845  -0.227 -12.255
  200    HA   LYS  25           HA       LYS  25  13.850   0.121 -14.366
  201   1HB   LYS  25          1HB       LYS  25  13.659   1.918 -12.654
  202   2HB   LYS  25          2HB       LYS  25  14.047   0.750 -11.406
  203   1HG   LYS  25          1HG       LYS  25  16.199   1.462 -11.808
  204   2HG   LYS  25          2HG       LYS  25  16.130   0.256 -13.079
  205   1HD   LYS  25          1HD       LYS  25  14.955   2.574 -14.219
  206   2HD   LYS  25          2HD       LYS  25  16.325   3.172 -13.305
  207   1HE   LYS  25          1HE       LYS  25  16.525   0.833 -15.258
  208   2HE   LYS  25          2HE       LYS  25  16.827   2.495 -15.725
  209   1HZ   LYS  25          1HZ       LYS  25  18.334   0.956 -13.682
  210   2HZ   LYS  25          2HZ       LYS  25  18.905   1.497 -15.109
  211    H    LYS  26           H        LYS  26  12.825  -2.426 -14.227
  212    HA   LYS  26           HA       LYS  26  13.253  -4.551 -13.707
  213   1HB   LYS  26          1HB       LYS  26  15.566  -3.288 -14.859
  214   2HB   LYS  26          2HB       LYS  26  16.094  -4.555 -13.770
  215   1HG   LYS  26          1HG       LYS  26  15.015  -6.250 -14.981
  216   2HG   LYS  26          2HG       LYS  26  13.798  -5.169 -15.626
  217   1HD   LYS  26          1HD       LYS  26  15.109  -4.526 -17.408
  218   2HD   LYS  26          2HD       LYS  26  16.583  -4.518 -16.459
  219   1HE   LYS  26          1HE       LYS  26  15.187  -7.100 -17.291
  220   2HE   LYS  26          2HE       LYS  26  16.412  -6.333 -18.281
  221   1HZ   LYS  26          1HZ       LYS  26  17.588  -7.840 -16.935
  222   2HZ   LYS  26          2HZ       LYS  26  17.843  -6.426 -16.169
  223    H    ARG  27           H        ARG  27  12.385  -4.316 -11.504
  224    HA   ARG  27           HA       ARG  27  14.488  -4.916  -9.624
  225   1HB   ARG  27          1HB       ARG  27  12.616  -2.567  -9.485
  226   2HB   ARG  27          2HB       ARG  27  12.879  -3.432  -7.983
  227   1HG   ARG  27          1HG       ARG  27  15.384  -2.932  -9.487
  228   2HG   ARG  27          2HG       ARG  27  14.550  -1.458  -9.035
  229   1HD   ARG  27          1HD       ARG  27  14.763  -1.870  -6.731
  230   2HD   ARG  27          2HD       ARG  27  14.839  -3.609  -6.935
  231    HE   ARG  27           HE       ARG  27  17.083  -1.707  -7.197
  232   1HH1  ARG  27          1HH1      ARG  27  15.941  -5.016  -7.745
  233   2HH1  ARG  27          2HH1      ARG  27  17.537  -5.681  -7.852
  234   1HH2  ARG  27          1HH2      ARG  27  19.430  -4.234  -7.610
  235    HA   PRO  28           HA       PRO  28  10.956  -7.702  -9.243
  236   1HB   PRO  28          1HB       PRO  28  12.383 -10.024  -9.057
  237   2HB   PRO  28          2HB       PRO  28  11.784  -9.388 -10.575
  238   1HG   PRO  28          1HG       PRO  28  14.546  -9.378  -9.522
  239   2HG   PRO  28          2HG       PRO  28  13.999  -9.145 -11.171
  240   1HD   PRO  28          1HD       PRO  28  14.886  -7.111  -9.353
  241   2HD   PRO  28          2HD       PRO  28  14.230  -6.867 -10.960
  242    H    LYS  29           H        LYS  29  10.269  -9.315  -7.543
  243    HA   LYS  29           HA       LYS  29  11.843  -9.115  -5.143
  244   1HB   LYS  29          1HB       LYS  29   9.971  -8.131  -3.818
  245   2HB   LYS  29          2HB       LYS  29  10.730  -7.016  -4.936
  246   1HG   LYS  29          1HG       LYS  29   8.669  -8.245  -6.443
  247   2HG   LYS  29          2HG       LYS  29   7.957  -7.971  -4.867
  248   1HD   LYS  29          1HD       LYS  29   8.828  -5.564  -4.994
  249   2HD   LYS  29          2HD       LYS  29   9.288  -5.885  -6.653
  250   1HE   LYS  29          1HE       LYS  29   6.842  -6.604  -7.063
  251   2HE   LYS  29          2HE       LYS  29   6.474  -5.955  -5.477
  252   1HZ   LYS  29          1HZ       LYS  29   7.947  -4.217  -7.319
  253   2HZ   LYS  29          2HZ       LYS  29   6.364  -4.448  -7.625
  254    HA   PRO  30           HA       PRO  30   9.536 -12.947  -5.719
  255   1HB   PRO  30          1HB       PRO  30  11.652 -14.666  -5.532
  256   2HB   PRO  30          2HB       PRO  30  11.037 -14.066  -7.059
  257   1HG   PRO  30          1HG       PRO  30  13.492 -13.279  -5.612
  258   2HG   PRO  30          2HG       PRO  30  13.080 -13.022  -7.295
  259   1HD   PRO  30          1HD       PRO  30  13.003 -11.073  -5.192
  260   2HD   PRO  30          2HD       PRO  30  12.481 -10.847  -6.850
  Start of MODEL   16
    1   1H    MET   1           H1       MET   1 -20.336   0.579  -3.935
    2    HA   MET   1           HA       MET   1 -20.146   2.582  -2.758
    3   1HB   MET   1          1HB       MET   1 -19.393   0.003  -1.413
    4   2HB   MET   1          2HB       MET   1 -19.101   1.445  -0.460
    5   1HG   MET   1          1HG       MET   1 -21.345   1.875  -0.173
    6   2HG   MET   1          2HG       MET   1 -21.750   1.423  -1.816
    7   1HE   MET   1          1HE       MET   1 -23.320  -1.849  -1.505
    8   2HE   MET   1          2HE       MET   1 -23.347  -0.173  -2.103
    9   3HE   MET   1          3HE       MET   1 -22.031  -1.268  -2.587
   10    H    VAL   2           H        VAL   2 -18.762   4.273  -3.150
   11    HA   VAL   2           HA       VAL   2 -15.920   3.846  -3.017
   12    HB   VAL   2           HB       VAL   2 -17.776   6.059  -3.798
   13   1HG1  VAL   2          1HG1      VAL   2 -16.346   7.479  -2.696
   14   2HG1  VAL   2          2HG1      VAL   2 -14.957   6.374  -2.840
   15   3HG1  VAL   2          3HG1      VAL   2 -15.486   7.326  -4.248
   16   1HG2  VAL   2          1HG2      VAL   2 -16.377   4.056  -5.159
   17   2HG2  VAL   2          2HG2      VAL   2 -17.194   5.466  -5.873
   18   3HG2  VAL   2          3HG2      VAL   2 -15.459   5.546  -5.482
   19    H    LYS   3           H        LYS   3 -18.512   4.783  -0.883
   20    HA   LYS   3           HA       LYS   3 -17.318   6.560   0.809
   21   1HB   LYS   3          1HB       LYS   3 -19.314   4.343   1.259
   22   2HB   LYS   3          2HB       LYS   3 -18.784   5.367   2.578
   23   1HG   LYS   3          1HG       LYS   3 -19.704   6.650  -0.007
   24   2HG   LYS   3          2HG       LYS   3 -20.903   6.042   1.117
   25   1HD   LYS   3          1HD       LYS   3 -19.564   7.402   2.933
   26   2HD   LYS   3          2HD       LYS   3 -18.844   8.231   1.566
   27   1HE   LYS   3          1HE       LYS   3 -21.040   8.970   0.768
   28   2HE   LYS   3          2HE       LYS   3 -21.862   7.975   1.953
   29   1HZ   LYS   3          1HZ       LYS   3 -21.505  10.445   2.501
   30   2HZ   LYS   3          2HZ       LYS   3 -21.172   9.379   3.686
   31    H    SER   4           H        SER   4 -16.492   3.210   0.189
   32    HA   SER   4           HA       SER   4 -14.741   3.290   2.517
   33   1HB   SER   4          1HB       SER   4 -16.434   1.212   1.377
   34   2HB   SER   4          2HB       SER   4 -14.769   0.665   1.413
   35    HG   SER   4           HG       SER   4 -15.284   0.182   3.454
   36    H    LYS   5           H        LYS   5 -14.972   3.273  -0.971
   37    HA   LYS   5           HA       LYS   5 -12.317   2.271  -1.398
   38   1HB   LYS   5          1HB       LYS   5 -14.430   2.121  -2.934
   39   2HB   LYS   5          2HB       LYS   5 -13.962   3.726  -3.454
   40   1HG   LYS   5          1HG       LYS   5 -12.673   2.557  -4.959
   41   2HG   LYS   5          2HG       LYS   5 -11.534   2.520  -3.628
   42   1HD   LYS   5          1HD       LYS   5 -12.615   0.310  -2.894
   43   2HD   LYS   5          2HD       LYS   5 -13.522   0.335  -4.394
   44   1HE   LYS   5          1HE       LYS   5 -11.152   0.659  -5.529
   45   2HE   LYS   5          2HE       LYS   5 -10.526   0.059  -4.007
   46   1HZ   LYS   5          1HZ       LYS   5 -12.571  -1.669  -4.678
   47   2HZ   LYS   5          2HZ       LYS   5 -11.796  -1.411  -6.086
   48    H    ILE   6           H        ILE   6 -13.808   5.290  -0.535
   49    HA   ILE   6           HA       ILE   6 -12.293   7.179  -1.738
   50    HB   ILE   6           HB       ILE   6 -12.482   8.312   0.627
   51   1HG1  ILE   6          1HG1      ILE   6 -14.781   6.560   1.141
   52   2HG1  ILE   6          2HG1      ILE   6 -13.241   5.747   1.336
   53   1HG2  ILE   6          1HG2      ILE   6 -14.130   9.381  -0.403
   54   2HG2  ILE   6          2HG2      ILE   6 -14.092   8.129  -1.667
   55   3HG2  ILE   6          3HG2      ILE   6 -15.198   7.963  -0.283
   56   1HD1  ILE   6          1HD1      ILE   6 -13.325   8.483   2.500
   57   2HD1  ILE   6          2HD1      ILE   6 -14.422   7.309   3.267
   58   3HD1  ILE   6          3HD1      ILE   6 -12.675   6.974   3.185
   59    H    GLY   7           H        GLY   7 -11.402   6.587   1.672
   60   1HA   GLY   7          1HA       GLY   7  -8.624   6.976   1.031
   61   2HA   GLY   7          2HA       GLY   7  -9.337   6.718   2.611
   62    H    SER   8           H        SER   8  -9.294   4.773  -0.468
   63    HA   SER   8           HA       SER   8  -7.798   2.748   0.924
   64   1HB   SER   8          1HB       SER   8 -10.675   2.478   0.132
   65   2HB   SER   8          2HB       SER   8  -9.644   1.104  -0.216
   66    HG   SER   8           HG       SER   8  -8.919   1.359   2.131
   67    H    TRP   9           H        TRP   9  -9.571   3.784  -2.056
   68    HA   TRP   9           HA       TRP   9  -8.068   2.115  -3.784
   69   1HB   TRP   9          1HB       TRP   9  -9.922   2.616  -4.905
   70   2HB   TRP   9          2HB       TRP   9 -10.217   4.072  -3.976
   71    HD1  TRP   9           HD1      TRP   9  -9.336   6.395  -5.045
   72    HE1  TRP   9           HE1      TRP   9  -8.460   7.158  -7.413
   73    HE3  TRP   9           HE3      TRP   9  -8.539   1.706  -6.841
   74    HZ2  TRP   9           HZ2      TRP   9  -7.551   5.747  -9.721
   75    HZ3  TRP   9           HZ3      TRP   9  -7.655   1.487  -9.162
   76    HH2  TRP   9           HH2      TRP   9  -7.164   3.410 -10.588
   77    H    ILE  10           H        ILE  10  -8.035   5.667  -3.000
   78    HA   ILE  10           HA       ILE  10  -5.847   6.297  -4.582
   79    HB   ILE  10           HB       ILE  10  -7.293   7.514  -2.298
   80   1HG1  ILE  10          1HG1      ILE  10  -7.941   7.785  -4.701
   81   2HG1  ILE  10          2HG1      ILE  10  -7.676   9.289  -3.840
   82   1HG2  ILE  10          1HG2      ILE  10  -5.588   9.457  -2.447
   83   2HG2  ILE  10          2HG2      ILE  10  -5.210   8.050  -1.427
   84   3HG2  ILE  10          3HG2      ILE  10  -4.461   8.210  -3.033
   85   1HD1  ILE  10          1HD1      ILE  10  -5.177   8.999  -4.763
   86   2HD1  ILE  10          2HD1      ILE  10  -6.001   8.005  -5.989
   87   3HD1  ILE  10          3HD1      ILE  10  -6.456   9.713  -5.775
   88    H    LEU  11           H        LEU  11  -6.091   4.583  -1.524
   89    HA   LEU  11           HA       LEU  11  -3.366   5.045  -0.787
   90   1HB   LEU  11          1HB       LEU  11  -5.720   4.034   0.412
   91   2HB   LEU  11          2HB       LEU  11  -4.537   2.742   0.464
   92    HG   LEU  11           HG       LEU  11  -4.499   4.087   2.502
   93   1HD1  LEU  11          1HD1      LEU  11  -2.446   3.012   1.939
   94   2HD1  LEU  11          2HD1      LEU  11  -2.023   4.288   0.773
   95   3HD1  LEU  11          3HD1      LEU  11  -2.053   4.650   2.515
   96   1HD2  LEU  11          1HD2      LEU  11  -5.169   6.232   2.009
   97   2HD2  LEU  11          2HD2      LEU  11  -3.414   6.454   2.202
   98   3HD2  LEU  11          3HD2      LEU  11  -4.125   6.352   0.574
   99    H    VAL  12           H        VAL  12  -5.267   2.319  -2.231
  100    HA   VAL  12           HA       VAL  12  -3.084   0.588  -2.463
  101    HB   VAL  12           HB       VAL  12  -5.730   0.830  -3.891
  102   1HG1  VAL  12          1HG1      VAL  12  -4.742  -0.405  -5.520
  103   2HG1  VAL  12          2HG1      VAL  12  -3.427  -0.961  -4.458
  104   3HG1  VAL  12          3HG1      VAL  12  -5.028  -1.735  -4.371
  105   1HG2  VAL  12          1HG2      VAL  12  -6.501  -0.133  -2.032
  106   2HG2  VAL  12          2HG2      VAL  12  -5.512  -1.565  -2.407
  107   3HG2  VAL  12          3HG2      VAL  12  -4.853  -0.275  -1.372
  108    H    LEU  13           H        LEU  13  -3.810   3.556  -4.049
  109    HA   LEU  13           HA       LEU  13  -2.447   2.841  -6.492
  110   1HB   LEU  13          1HB       LEU  13  -3.657   5.414  -5.477
  111   2HB   LEU  13          2HB       LEU  13  -2.849   5.257  -7.025
  112    HG   LEU  13           HG       LEU  13  -5.554   4.470  -6.216
  113   1HD1  LEU  13          1HD1      LEU  13  -5.458   4.436  -8.950
  114   2HD1  LEU  13          2HD1      LEU  13  -5.758   5.876  -7.947
  115   3HD1  LEU  13          3HD1      LEU  13  -4.119   5.538  -8.550
  116   1HD2  LEU  13          1HD2      LEU  13  -3.899   2.517  -7.838
  117   2HD2  LEU  13          2HD2      LEU  13  -4.668   2.225  -6.260
  118   3HD2  LEU  13          3HD2      LEU  13  -5.674   2.492  -7.703
  119    H    PHE  14           H        PHE  14  -1.920   4.922  -3.580
  120    HA   PHE  14           HA       PHE  14   0.535   5.937  -4.344
  121   1HB   PHE  14          1HB       PHE  14  -0.714   5.143  -1.650
  122   2HB   PHE  14          2HB       PHE  14   0.777   6.058  -1.742
  123    HD1  PHE  14           HD1      PHE  14   0.092   7.859  -4.049
  124    HD2  PHE  14           HD2      PHE  14  -2.164   6.689  -0.652
  125    HE1  PHE  14           HE1      PHE  14  -1.224   9.992  -4.189
  126    HE2  PHE  14           HE2      PHE  14  -3.481   8.821  -0.791
  127    HZ   PHE  14           HZ       PHE  14  -2.995  10.447  -2.558
  128    H    VAL  15           H        VAL  15  -0.371   2.753  -3.038
  129    HA   VAL  15           HA       VAL  15   2.392   2.085  -2.497
  130    HB   VAL  15           HB       VAL  15   1.313  -0.149  -1.942
  131   1HG1  VAL  15          1HG1      VAL  15   0.411   2.324  -0.425
  132   2HG1  VAL  15          2HG1      VAL  15   0.450   0.664   0.217
  133   3HG1  VAL  15          3HG1      VAL  15   1.966   1.480  -0.234
  134   1HG2  VAL  15          1HG2      VAL  15  -0.889  -0.518  -2.192
  135   2HG2  VAL  15          2HG2      VAL  15  -1.321   1.098  -1.582
  136   3HG2  VAL  15          3HG2      VAL  15  -0.862   0.884  -3.289
  137    H    ALA  16           H        ALA  16   0.063   1.952  -5.100
  138    HA   ALA  16           HA       ALA  16   1.350  -0.242  -6.439
  139   1HB   ALA  16          1HB       ALA  16  -0.270   1.065  -8.276
  140   2HB   ALA  16          2HB       ALA  16  -0.775  -0.266  -7.207
  141   3HB   ALA  16          3HB       ALA  16  -1.059   1.423  -6.721
  142    H    MET  17           H        MET  17   1.373   3.342  -6.483
  143    HA   MET  17           HA       MET  17   2.876   3.507  -8.852
  144   1HB   MET  17          1HB       MET  17   1.740   5.279  -6.793
  145   2HB   MET  17          2HB       MET  17   3.343   5.826  -7.242
  146   1HG   MET  17          1HG       MET  17   2.701   6.400  -9.388
  147   2HG   MET  17          2HG       MET  17   1.605   5.041  -9.541
  148   1HE   MET  17          1HE       MET  17   0.526   9.275  -8.728
  149   2HE   MET  17          2HE       MET  17   2.138   8.667  -8.285
  150   3HE   MET  17          3HE       MET  17   1.550   8.492  -9.956
  151    H    TRP  18           H        TRP  18   3.696   3.608  -5.330
  152    HA   TRP  18           HA       TRP  18   6.413   4.168  -5.667
  153   1HB   TRP  18          1HB       TRP  18   5.844   4.516  -3.523
  154   2HB   TRP  18          2HB       TRP  18   4.630   3.251  -3.509
  155    HD1  TRP  18           HD1      TRP  18   8.483   2.846  -4.064
  156    HE1  TRP  18           HE1      TRP  18   9.488   1.133  -2.327
  157    HE3  TRP  18           HE3      TRP  18   4.147   2.070  -1.525
  158    HZ2  TRP  18           HZ2      TRP  18   8.382  -0.323  -0.136
  159    HZ3  TRP  18           HZ3      TRP  18   4.196   0.488   0.402
  160    HH2  TRP  18           HH2      TRP  18   6.218  -0.690   1.107
  161    H    SER  19           H        SER  19   4.441   1.307  -6.201
  162    HA   SER  19           HA       SER  19   6.771  -0.395  -6.150
  163   1HB   SER  19          1HB       SER  19   3.869  -0.756  -5.921
  164   2HB   SER  19          2HB       SER  19   4.557  -1.882  -7.074
  165    HG   SER  19           HG       SER  19   4.610  -2.778  -4.944
  166    H    ASP  20           H        ASP  20   4.936   1.571  -8.323
  167    HA   ASP  20           HA       ASP  20   5.998   0.053 -10.574
  168   1HB   ASP  20          1HB       ASP  20   3.419   0.511 -10.267
  169   2HB   ASP  20          2HB       ASP  20   3.804   2.147 -10.763
  170    HD2  ASP  20           HD2      ASP  20   4.020  -1.190 -12.465
  171    H    VAL  21           H        VAL  21   7.191   2.237  -8.718
  172    HA   VAL  21           HA       VAL  21   8.287   3.839 -10.838
  173    HB   VAL  21           HB       VAL  21   6.704   5.112  -8.597
  174   1HG1  VAL  21          1HG1      VAL  21   7.366   7.242  -9.461
  175   2HG1  VAL  21          2HG1      VAL  21   8.849   6.282  -9.239
  176   3HG1  VAL  21          3HG1      VAL  21   8.163   6.495 -10.867
  177   1HG2  VAL  21          1HG2      VAL  21   5.188   4.317 -10.273
  178   2HG2  VAL  21          2HG2      VAL  21   5.368   6.073 -10.504
  179   3HG2  VAL  21          3HG2      VAL  21   6.215   4.942 -11.585
  180    H    GLY  22           H        GLY  22   7.925   3.240  -7.291
  181   1HA   GLY  22          1HA       GLY  22  10.095   4.339  -6.199
  182   2HA   GLY  22          2HA       GLY  22   9.550   2.726  -5.787
  183    H    LEU  23           H        LEU  23  10.320   0.895  -7.317
  184    HA   LEU  23           HA       LEU  23  13.139   1.420  -7.904
  185   1HB   LEU  23          1HB       LEU  23  13.440  -0.976  -7.703
  186   2HB   LEU  23          2HB       LEU  23  12.737  -0.286  -6.254
  187    HG   LEU  23           HG       LEU  23  10.749  -1.316  -8.171
  188   1HD1  LEU  23          1HD1      LEU  23  11.438  -3.697  -7.024
  189   2HD1  LEU  23          2HD1      LEU  23  11.854  -3.198  -8.682
  190   3HD1  LEU  23          3HD1      LEU  23  13.034  -2.987  -7.367
  191   1HD2  LEU  23          1HD2      LEU  23  11.202  -1.809  -5.215
  192   2HD2  LEU  23          2HD2      LEU  23  10.187  -0.525  -5.914
  193   3HD2  LEU  23          3HD2      LEU  23   9.750  -2.235  -6.151
  194    H    CYS  24           H        CYS  24  12.007   2.628  -9.847
  195    HA   CYS  24           HA       CYS  24  11.631   0.640 -11.967
  196   1HB   CYS  24          1HB       CYS  24   9.835   2.585 -11.197
  197   2HB   CYS  24          2HB       CYS  24  10.673   3.371 -12.520
  198    HG   CYS  24           HG       CYS  24   8.301   1.709 -12.832
  199    H    LYS  25           H        LYS  25  14.156   1.812 -10.760
  200    HA   LYS  25           HA       LYS  25  15.286   2.714 -13.269
  201   1HB   LYS  25          1HB       LYS  25  14.460   4.666 -11.577
  202   2HB   LYS  25          2HB       LYS  25  16.071   4.389 -10.947
  203   1HG   LYS  25          1HG       LYS  25  15.903   4.508 -13.923
  204   2HG   LYS  25          2HG       LYS  25  15.498   6.006 -13.107
  205   1HD   LYS  25          1HD       LYS  25  17.964   4.536 -12.184
  206   2HD   LYS  25          2HD       LYS  25  18.043   5.364 -13.727
  207   1HE   LYS  25          1HE       LYS  25  18.218   7.386 -12.708
  208   2HE   LYS  25          2HE       LYS  25  16.761   7.103 -11.778
  209   1HZ   LYS  25          1HZ       LYS  25  19.284   7.169 -10.750
  210   2HZ   LYS  25          2HZ       LYS  25  17.986   6.558  -9.979
  211    H    LYS  26           H        LYS  26  15.252   0.349 -11.301
  212    HA   LYS  26           HA       LYS  26  18.057   0.402 -10.491
  213   1HB   LYS  26          1HB       LYS  26  15.691  -1.309  -9.715
  214   2HB   LYS  26          2HB       LYS  26  17.335  -1.782  -9.333
  215   1HG   LYS  26          1HG       LYS  26  17.277   0.901  -8.546
  216   2HG   LYS  26          2HG       LYS  26  15.665   0.349  -8.134
  217   1HD   LYS  26          1HD       LYS  26  17.475  -1.726  -7.327
  218   2HD   LYS  26          2HD       LYS  26  18.171  -0.212  -6.783
  219   1HE   LYS  26          1HE       LYS  26  15.451   0.082  -6.157
  220   2HE   LYS  26          2HE       LYS  26  15.752  -1.612  -5.824
  221   1HZ   LYS  26          1HZ       LYS  26  17.922  -0.339  -4.748
  222   2HZ   LYS  26          2HZ       LYS  26  16.703   0.680  -4.391
  223    H    ARG  27           H        ARG  27  16.540  -2.684 -11.102
  224    HA   ARG  27           HA       ARG  27  16.707  -4.139 -12.718
  225   1HB   ARG  27          1HB       ARG  27  16.995  -1.768 -14.203
  226   2HB   ARG  27          2HB       ARG  27  18.416  -2.691 -14.652
  227   1HG   ARG  27          1HG       ARG  27  15.711  -4.058 -14.610
  228   2HG   ARG  27          2HG       ARG  27  16.132  -3.030 -15.967
  229   1HD   ARG  27          1HD       ARG  27  17.613  -4.556 -16.814
  230   2HD   ARG  27          2HD       ARG  27  18.325  -4.875 -15.245
  231    HE   ARG  27           HE       ARG  27  16.823  -6.666 -14.927
  232   1HH1  ARG  27          1HH1      ARG  27  15.846  -4.776 -17.759
  233   2HH1  ARG  27          2HH1      ARG  27  14.684  -5.943 -18.293
  234   1HH2  ARG  27          1HH2      ARG  27  14.374  -7.953 -17.025
  235    HA   PRO  28           HA       PRO  28  20.851  -5.049 -11.288
  236   1HB   PRO  28          1HB       PRO  28  20.362  -7.626 -10.522
  237   2HB   PRO  28          2HB       PRO  28  20.177  -6.255  -9.446
  238   1HG   PRO  28          1HG       PRO  28  18.084  -7.854 -10.788
  239   2HG   PRO  28          2HG       PRO  28  17.932  -6.784  -9.410
  240   1HD   PRO  28          1HD       PRO  28  17.143  -6.227 -12.111
  241   2HD   PRO  28          2HD       PRO  28  17.099  -5.117 -10.757
  242    H    LYS  29           H        LYS  29  21.597  -4.709 -13.449
  243    HA   LYS  29           HA       LYS  29  21.248  -6.768 -15.338
  244   1HB   LYS  29          1HB       LYS  29  22.474  -4.158 -15.187
  245   2HB   LYS  29          2HB       LYS  29  23.568  -5.277 -15.974
  246   1HG   LYS  29          1HG       LYS  29  21.761  -5.973 -17.540
  247   2HG   LYS  29          2HG       LYS  29  20.631  -4.907 -16.731
  248   1HD   LYS  29          1HD       LYS  29  23.133  -3.551 -17.578
  249   2HD   LYS  29          2HD       LYS  29  22.215  -4.216 -18.914
  250   1HE   LYS  29          1HE       LYS  29  20.368  -2.932 -17.085
  251   2HE   LYS  29          2HE       LYS  29  21.680  -1.819 -17.418
  252   1HZ   LYS  29          1HZ       LYS  29  19.637  -2.777 -19.213
  253   2HZ   LYS  29          2HZ       LYS  29  20.528  -1.417 -19.308
  254    HA   PRO  30           HA       PRO  30  24.507  -9.459 -14.426
  255   1HB   PRO  30          1HB       PRO  30  25.760  -9.971 -16.799
  256   2HB   PRO  30          2HB       PRO  30  24.231 -10.698 -16.347
  257   1HG   PRO  30          1HG       PRO  30  24.748  -8.521 -18.278
  258   2HG   PRO  30          2HG       PRO  30  23.329  -9.536 -18.122
  259   1HD   PRO  30          1HD       PRO  30  23.597  -6.815 -17.253
  260   2HD   PRO  30          2HD       PRO  30  22.219  -7.867 -16.995
  Start of MODEL   17
    1   1H    MET   1           H1       MET   1 -12.189  -5.676   4.975
    2    HA   MET   1           HA       MET   1 -11.819  -4.335   2.644
    3   1HB   MET   1          1HB       MET   1 -14.082  -6.384   2.547
    4   2HB   MET   1          2HB       MET   1 -14.173  -4.921   1.586
    5   1HG   MET   1          1HG       MET   1 -11.634  -6.552   1.440
    6   2HG   MET   1          2HG       MET   1 -13.054  -7.164   0.616
    7   1HE   MET   1          1HE       MET   1 -11.080  -6.012  -2.171
    8   2HE   MET   1          2HE       MET   1 -10.015  -5.222  -0.983
    9   3HE   MET   1          3HE       MET   1 -10.691  -6.833  -0.641
   10    H    VAL   2           H        VAL   2 -13.706  -2.680   2.232
   11    HA   VAL   2           HA       VAL   2 -14.870  -2.068   4.858
   12    HB   VAL   2           HB       VAL   2 -13.084  -0.579   3.688
   13   1HG1  VAL   2          1HG1      VAL   2 -14.934  -0.609   1.634
   14   2HG1  VAL   2          2HG1      VAL   2 -15.246   0.954   2.427
   15   3HG1  VAL   2          3HG1      VAL   2 -13.613   0.569   1.832
   16   1HG2  VAL   2          1HG2      VAL   2 -14.803   1.456   4.395
   17   2HG2  VAL   2          2HG2      VAL   2 -15.475   0.062   5.273
   18   3HG2  VAL   2          3HG2      VAL   2 -13.775   0.532   5.515
   19    H    LYS   3           H        LYS   3 -16.543   0.062   3.569
   20    HA   LYS   3           HA       LYS   3 -18.324  -1.534   1.910
   21   1HB   LYS   3          1HB       LYS   3 -18.769  -1.170   4.688
   22   2HB   LYS   3          2HB       LYS   3 -19.903  -0.121   3.862
   23   1HG   LYS   3          1HG       LYS   3 -20.681  -2.019   2.461
   24   2HG   LYS   3          2HG       LYS   3 -19.498  -3.078   3.205
   25   1HD   LYS   3          1HD       LYS   3 -21.579  -3.500   4.339
   26   2HD   LYS   3          2HD       LYS   3 -20.591  -2.583   5.460
   27   1HE   LYS   3          1HE       LYS   3 -21.964  -0.621   3.940
   28   2HE   LYS   3          2HE       LYS   3 -23.161  -1.863   4.245
   29   1HZ   LYS   3          1HZ       LYS   3 -21.686  -1.403   6.611
   30   2HZ   LYS   3          2HZ       LYS   3 -22.225   0.030   6.058
   31    H    SER   4           H        SER   4 -17.201   0.004   0.383
   32    HA   SER   4           HA       SER   4 -18.806   1.864  -0.554
   33   1HB   SER   4          1HB       SER   4 -17.542   2.908   1.885
   34   2HB   SER   4          2HB       SER   4 -17.198   3.923   0.498
   35    HG   SER   4           HG       SER   4 -19.721   3.525   0.155
   36    H    LYS   5           H        LYS   5 -15.518   0.871   0.260
   37    HA   LYS   5           HA       LYS   5 -13.555   1.139  -0.777
   38   1HB   LYS   5          1HB       LYS   5 -13.614   0.297  -3.128
   39   2HB   LYS   5          2HB       LYS   5 -14.450  -0.721  -1.973
   40   1HG   LYS   5          1HG       LYS   5 -16.631   0.249  -2.646
   41   2HG   LYS   5          2HG       LYS   5 -15.826   1.354  -3.744
   42   1HD   LYS   5          1HD       LYS   5 -15.298  -0.327  -5.287
   43   2HD   LYS   5          2HD       LYS   5 -15.258  -1.588  -4.070
   44   1HE   LYS   5          1HE       LYS   5 -17.291  -2.130  -5.034
   45   2HE   LYS   5          2HE       LYS   5 -17.877  -0.967  -3.862
   46   1HZ   LYS   5          1HZ       LYS   5 -18.747  -0.367  -5.998
   47   2HZ   LYS   5          2HZ       LYS   5 -17.622   0.757  -5.650
   48    H    ILE   6           H        ILE   6 -13.615   3.509  -0.204
   49    HA   ILE   6           HA       ILE   6 -13.939   5.144  -2.619
   50    HB   ILE   6           HB       ILE   6 -13.759   6.974  -0.708
   51   1HG1  ILE   6          1HG1      ILE   6 -15.136   4.745   0.796
   52   2HG1  ILE   6          2HG1      ILE   6 -13.430   5.084   1.003
   53   1HG2  ILE   6          1HG2      ILE   6 -15.600   7.033  -2.125
   54   2HG2  ILE   6          2HG2      ILE   6 -16.138   5.399  -1.667
   55   3HG2  ILE   6          3HG2      ILE   6 -16.328   6.751  -0.525
   56   1HD1  ILE   6          1HD1      ILE   6 -14.104   7.535   1.452
   57   2HD1  ILE   6          2HD1      ILE   6 -15.777   6.936   1.566
   58   3HD1  ILE   6          3HD1      ILE   6 -14.541   6.349   2.706
   59    H    GLY   7           H        GLY   7 -12.112   6.342   0.122
   60   1HA   GLY   7          1HA       GLY   7  -9.841   6.909  -1.414
   61   2HA   GLY   7          2HA       GLY   7  -9.956   6.934   0.336
   62    H    SER   8           H        SER   8 -10.964   3.904  -0.101
   63    HA   SER   8           HA       SER   8  -8.573   2.767   0.673
   64   1HB   SER   8          1HB       SER   8 -11.304   1.913   0.133
   65   2HB   SER   8          2HB       SER   8 -10.180   0.720  -0.488
   66    HG   SER   8           HG       SER   8 -10.579   1.607   2.202
   67    H    TRP   9           H        TRP   9  -9.643   3.808  -2.427
   68    HA   TRP   9           HA       TRP   9  -7.939   1.887  -3.823
   69   1HB   TRP   9          1HB       TRP   9  -9.236   2.163  -5.618
   70   2HB   TRP   9          2HB       TRP   9 -10.407   2.731  -4.445
   71    HD1  TRP   9           HD1      TRP   9 -11.277   5.199  -4.788
   72    HE1  TRP   9           HE1      TRP   9 -10.758   7.244  -6.374
   73    HE3  TRP   9           HE3      TRP   9  -7.075   3.210  -6.847
   74    HZ2  TRP   9           HZ2      TRP   9  -8.695   7.788  -8.268
   75    HZ3  TRP   9           HZ3      TRP   9  -5.867   4.564  -8.557
   76    HH2  TRP   9           HH2      TRP   9  -6.614   6.779  -9.274
   77    H    ILE  10           H        ILE  10  -8.061   5.097  -2.474
   78    HA   ILE  10           HA       ILE  10  -6.129   6.216  -4.274
   79    HB   ILE  10           HB       ILE  10  -6.338   8.178  -3.020
   80   1HG1  ILE  10          1HG1      ILE  10  -7.967   7.295  -0.775
   81   2HG1  ILE  10          2HG1      ILE  10  -6.407   6.495  -0.782
   82   1HG2  ILE  10          1HG2      ILE  10  -8.931   6.655  -3.214
   83   2HG2  ILE  10          2HG2      ILE  10  -8.875   8.341  -2.644
   84   3HG2  ILE  10          3HG2      ILE  10  -8.291   7.934  -4.275
   85   1HD1  ILE  10          1HD1      ILE  10  -5.281   8.416  -0.280
   86   2HD1  ILE  10          2HD1      ILE  10  -6.243   9.385  -1.420
   87   3HD1  ILE  10          3HD1      ILE  10  -6.877   9.036   0.206
   88    H    LEU  11           H        LEU  11  -6.144   4.255  -1.367
   89    HA   LEU  11           HA       LEU  11  -3.476   4.993  -0.610
   90   1HB   LEU  11          1HB       LEU  11  -5.700   3.609   0.530
   91   2HB   LEU  11          2HB       LEU  11  -4.304   2.551   0.583
   92    HG   LEU  11           HG       LEU  11  -4.585   3.884   2.637
   93   1HD1  LEU  11          1HD1      LEU  11  -2.408   3.273   2.573
   94   2HD1  LEU  11          2HD1      LEU  11  -2.137   3.974   0.960
   95   3HD1  LEU  11          3HD1      LEU  11  -2.168   5.028   2.394
   96   1HD2  LEU  11          1HD2      LEU  11  -5.440   5.941   2.261
   97   2HD2  LEU  11          2HD2      LEU  11  -3.720   6.396   2.211
   98   3HD2  LEU  11          3HD2      LEU  11  -4.613   6.125   0.696
   99    H    VAL  12           H        VAL  12  -5.101   2.110  -2.094
  100    HA   VAL  12           HA       VAL  12  -2.764   0.640  -2.449
  101    HB   VAL  12           HB       VAL  12  -5.370   0.660  -3.984
  102   1HG1  VAL  12          1HG1      VAL  12  -4.449  -0.804  -5.390
  103   2HG1  VAL  12          2HG1      VAL  12  -2.918  -0.778  -4.482
  104   3HG1  VAL  12          3HG1      VAL  12  -4.208  -1.915  -4.021
  105   1HG2  VAL  12          1HG2      VAL  12  -4.438  -1.110  -1.698
  106   2HG2  VAL  12          2HG2      VAL  12  -5.596   0.235  -1.557
  107   3HG2  VAL  12          3HG2      VAL  12  -6.007  -1.196  -2.534
  108    H    LEU  13           H        LEU  13  -3.903   3.542  -3.979
  109    HA   LEU  13           HA       LEU  13  -2.620   3.124  -6.482
  110   1HB   LEU  13          1HB       LEU  13  -3.977   4.782  -6.971
  111   2HB   LEU  13          2HB       LEU  13  -4.369   5.013  -5.279
  112    HG   LEU  13           HG       LEU  13  -2.415   6.526  -5.045
  113   1HD1  LEU  13          1HD1      LEU  13  -1.704   7.360  -7.523
  114   2HD1  LEU  13          2HD1      LEU  13  -0.787   6.177  -6.559
  115   3HD1  LEU  13          3HD1      LEU  13  -1.919   5.617  -7.813
  116   1HD2  LEU  13          1HD2      LEU  13  -3.618   8.333  -5.669
  117   2HD2  LEU  13          2HD2      LEU  13  -3.905   7.719  -7.315
  118   3HD2  LEU  13          3HD2      LEU  13  -4.880   7.109  -5.955
  119    H    PHE  14           H        PHE  14  -1.832   5.098  -3.536
  120    HA   PHE  14           HA       PHE  14   0.584   6.057  -4.397
  121   1HB   PHE  14          1HB       PHE  14  -0.460   5.108  -1.667
  122   2HB   PHE  14          2HB       PHE  14   1.037   6.005  -1.823
  123    HD1  PHE  14           HD1      PHE  14   0.250   7.989  -3.909
  124    HD2  PHE  14           HD2      PHE  14  -1.838   6.581  -0.493
  125    HE1  PHE  14           HE1      PHE  14  -1.031  10.145  -3.802
  126    HE2  PHE  14           HE2      PHE  14  -3.119   8.737  -0.388
  127    HZ   PHE  14           HZ       PHE  14  -2.700  10.494  -2.043
  128    H    VAL  15           H        VAL  15  -0.138   2.950  -2.679
  129    HA   VAL  15           HA       VAL  15   2.577   2.170  -2.564
  130    HB   VAL  15           HB       VAL  15   1.658   0.008  -1.899
  131   1HG1  VAL  15          1HG1      VAL  15   1.522   2.351  -0.509
  132   2HG1  VAL  15          2HG1      VAL  15  -0.171   1.805  -0.423
  133   3HG1  VAL  15          3HG1      VAL  15   1.135   0.751   0.170
  134   1HG2  VAL  15          1HG2      VAL  15  -0.207  -0.459  -3.180
  135   2HG2  VAL  15          2HG2      VAL  15  -0.962   0.019  -1.640
  136   3HG2  VAL  15          3HG2      VAL  15  -0.885   1.176  -2.989
  137    H    ALA  16           H        ALA  16   0.062   2.084  -5.027
  138    HA   ALA  16           HA       ALA  16   1.169  -0.034  -6.545
  139   1HB   ALA  16          1HB       ALA  16  -0.268   1.567  -8.296
  140   2HB   ALA  16          2HB       ALA  16  -0.944   0.258  -7.298
  141   3HB   ALA  16          3HB       ALA  16  -1.008   1.940  -6.722
  142    H    MET  17           H        MET  17   1.482   3.565  -6.571
  143    HA   MET  17           HA       MET  17   3.060   3.642  -8.861
  144   1HB   MET  17          1HB       MET  17   1.913   5.455  -7.002
  145   2HB   MET  17          2HB       MET  17   3.635   5.746  -6.860
  146   1HG   MET  17          1HG       MET  17   2.077   5.749  -9.492
  147   2HG   MET  17          2HG       MET  17   2.560   7.187  -8.613
  148   1HE   MET  17          1HE       MET  17   3.496   4.406 -11.000
  149   2HE   MET  17          2HE       MET  17   3.304   6.029 -11.704
  150   3HE   MET  17          3HE       MET  17   4.882   5.209 -11.775
  151    H    TRP  18           H        TRP  18   3.954   3.816  -5.339
  152    HA   TRP  18           HA       TRP  18   6.698   3.939  -5.727
  153   1HB   TRP  18          1HB       TRP  18   6.211   4.444  -3.593
  154   2HB   TRP  18          2HB       TRP  18   4.849   3.343  -3.513
  155    HD1  TRP  18           HD1      TRP  18   8.613   2.440  -4.094
  156    HE1  TRP  18           HE1      TRP  18   9.424   0.682  -2.302
  157    HE3  TRP  18           HE3      TRP  18   4.252   2.303  -1.482
  158    HZ2  TRP  18           HZ2      TRP  18   8.180  -0.543  -0.044
  159    HZ3  TRP  18           HZ3      TRP  18   4.134   0.800   0.504
  160    HH2  TRP  18           HH2      TRP  18   6.006  -0.592   1.233
  161    H    SER  19           H        SER  19   4.368   1.365  -6.186
  162    HA   SER  19           HA       SER  19   6.409  -0.659  -6.011
  163   1HB   SER  19          1HB       SER  19   3.409  -0.643  -6.329
  164   2HB   SER  19          2HB       SER  19   4.291  -2.067  -6.841
  165    HG   SER  19           HG       SER  19   5.357  -1.747  -4.549
  166    H    ASP  20           H        ASP  20   4.720   1.355  -8.358
  167    HA   ASP  20           HA       ASP  20   5.220  -0.339 -10.562
  168   1HB   ASP  20          1HB       ASP  20   3.396   1.388 -10.475
  169   2HB   ASP  20          2HB       ASP  20   4.609   2.653 -10.448
  170    HD2  ASP  20           HD2      ASP  20   2.967   2.907 -12.588
  171    H    VAL  21           H        VAL  21   6.679   2.642  -9.104
  172    HA   VAL  21           HA       VAL  21   8.591   3.118 -11.064
  173    HB   VAL  21           HB       VAL  21   9.799   4.176  -9.017
  174   1HG1  VAL  21          1HG1      VAL  21   8.370   6.123  -9.156
  175   2HG1  VAL  21          2HG1      VAL  21   8.479   5.370 -10.765
  176   3HG1  VAL  21          3HG1      VAL  21   7.021   5.140  -9.772
  177   1HG2  VAL  21          1HG2      VAL  21   7.241   4.320  -7.598
  178   2HG2  VAL  21          2HG2      VAL  21   7.928   2.679  -7.621
  179   3HG2  VAL  21          3HG2      VAL  21   8.883   4.035  -6.975
  180    H    GLY  22           H        GLY  22   8.574   0.949  -8.195
  181   1HA   GLY  22          1HA       GLY  22  11.133   0.215  -7.885
  182   2HA   GLY  22          2HA       GLY  22   9.802  -0.923  -7.839
  183    H    LEU  23           H        LEU  23   8.918  -1.159 -10.426
  184    HA   LEU  23           HA       LEU  23  10.547  -2.945 -11.586
  185   1HB   LEU  23          1HB       LEU  23   8.233  -2.494 -12.222
  186   2HB   LEU  23          2HB       LEU  23   8.715  -0.987 -12.977
  187    HG   LEU  23           HG       LEU  23  10.337  -2.777 -14.276
  188   1HD1  LEU  23          1HD1      LEU  23   9.356  -4.807 -14.665
  189   2HD1  LEU  23          2HD1      LEU  23   8.868  -4.541 -12.974
  190   3HD1  LEU  23          3HD1      LEU  23   7.717  -4.219 -14.294
  191   1HD2  LEU  23          1HD2      LEU  23   8.721  -2.559 -16.158
  192   2HD2  LEU  23          2HD2      LEU  23   7.570  -1.805 -15.028
  193   3HD2  LEU  23          3HD2      LEU  23   9.127  -1.015 -15.371
  194    H    CYS  24           H        CYS  24  10.438   0.575 -12.494
  195    HA   CYS  24           HA       CYS  24  12.970   0.204 -13.852
  196   1HB   CYS  24          1HB       CYS  24  10.879   2.366 -13.841
  197   2HB   CYS  24          2HB       CYS  24  12.507   2.740 -14.367
  198    HG   CYS  24           HG       CYS  24  11.973  -0.031 -15.571
  199    H    LYS  25           H        LYS  25  13.128  -0.233 -11.071
  200    HA   LYS  25           HA       LYS  25  15.156   1.484 -10.325
  201   1HB   LYS  25          1HB       LYS  25  12.798   2.865 -10.103
  202   2HB   LYS  25          2HB       LYS  25  12.958   2.201  -8.490
  203   1HG   LYS  25          1HG       LYS  25  15.455   3.358  -9.674
  204   2HG   LYS  25          2HG       LYS  25  14.185   4.507  -9.302
  205   1HD   LYS  25          1HD       LYS  25  14.619   4.372  -7.079
  206   2HD   LYS  25          2HD       LYS  25  14.445   2.628  -7.097
  207   1HE   LYS  25          1HE       LYS  25  16.861   2.660  -8.192
  208   2HE   LYS  25          2HE       LYS  25  16.952   4.280  -7.529
  209   1HZ   LYS  25          1HZ       LYS  25  15.969   2.701  -5.481
  210   2HZ   LYS  25          2HZ       LYS  25  17.157   1.806  -6.145
  211    H    LYS  26           H        LYS  26  14.579  -1.307 -10.473
  212    HA   LYS  26           HA       LYS  26  14.102  -2.142  -7.743
  213   1HB   LYS  26          1HB       LYS  26  14.082  -4.377  -8.635
  214   2HB   LYS  26          2HB       LYS  26  13.084  -3.351  -9.645
  215   1HG   LYS  26          1HG       LYS  26  15.568  -3.085 -10.862
  216   2HG   LYS  26          2HG       LYS  26  15.627  -4.743 -10.297
  217   1HD   LYS  26          1HD       LYS  26  14.051  -5.448 -11.802
  218   2HD   LYS  26          2HD       LYS  26  13.028  -4.050 -11.533
  219   1HE   LYS  26          1HE       LYS  26  14.646  -2.672 -12.933
  220   2HE   LYS  26          2HE       LYS  26  15.528  -4.145 -13.288
  221   1HZ   LYS  26          1HZ       LYS  26  12.880  -4.719 -13.846
  222   2HZ   LYS  26          2HZ       LYS  26  13.107  -3.227 -14.459
  223    H    ARG  27           H        ARG  27  16.745  -1.337  -9.888
  224    HA   ARG  27           HA       ARG  27  18.760  -2.868  -9.212
  225   1HB   ARG  27          1HB       ARG  27  18.446  -0.136 -10.064
  226   2HB   ARG  27          2HB       ARG  27  19.698  -0.144  -8.837
  227   1HG   ARG  27          1HG       ARG  27  20.380  -2.375 -10.346
  228   2HG   ARG  27          2HG       ARG  27  19.724  -1.308 -11.573
  229   1HD   ARG  27          1HD       ARG  27  21.249   0.533 -10.433
  230   2HD   ARG  27          2HD       ARG  27  22.093  -0.835  -9.734
  231    HE   ARG  27           HE       ARG  27  22.027  -0.081 -12.588
  232   1HH1  ARG  27          1HH1      ARG  27  22.875  -2.567 -10.211
  233   2HH1  ARG  27          2HH1      ARG  27  23.975  -3.383 -11.272
  234   1HH2  ARG  27          1HH2      ARG  27  24.315  -2.536 -13.488
  235    HA   PRO  28           HA       PRO  28  18.642  -2.394  -4.776
  236   1HB   PRO  28          1HB       PRO  28  19.779  -4.805  -4.171
  237   2HB   PRO  28          2HB       PRO  28  18.053  -4.583  -4.373
  238   1HG   PRO  28          1HG       PRO  28  19.988  -5.842  -6.219
  239   2HG   PRO  28          2HG       PRO  28  18.242  -5.983  -6.196
  240   1HD   PRO  28          1HD       PRO  28  19.811  -4.403  -8.002
  241   2HD   PRO  28          2HD       PRO  28  18.063  -4.455  -7.905
  242    H    LYS  29           H        LYS  29  20.274  -0.704  -5.825
  243    HA   LYS  29           HA       LYS  29  22.686  -1.200  -4.287
  244   1HB   LYS  29          1HB       LYS  29  22.571  -1.074  -7.260
  245   2HB   LYS  29          2HB       LYS  29  23.861  -0.176  -6.485
  246   1HG   LYS  29          1HG       LYS  29  23.422  -2.929  -5.411
  247   2HG   LYS  29          2HG       LYS  29  23.981  -2.864  -7.071
  248   1HD   LYS  29          1HD       LYS  29  25.646  -1.000  -5.912
  249   2HD   LYS  29          2HD       LYS  29  25.398  -2.087  -4.560
  250   1HE   LYS  29          1HE       LYS  29  25.924  -3.477  -7.137
  251   2HE   LYS  29          2HE       LYS  29  27.252  -2.471  -6.590
  252   1HZ   LYS  29          1HZ       LYS  29  27.096  -3.633  -4.411
  253   2HZ   LYS  29          2HZ       LYS  29  25.949  -4.622  -5.010
  254    HA   PRO  30           HA       PRO  30  22.203   3.011  -3.486
  255   1HB   PRO  30          1HB       PRO  30  24.742   3.793  -2.849
  256   2HB   PRO  30          2HB       PRO  30  23.694   2.940  -1.733
  257   1HG   PRO  30          1HG       PRO  30  26.013   1.913  -3.253
  258   2HG   PRO  30          2HG       PRO  30  25.230   1.223  -1.845
  259   1HD   PRO  30          1HD       PRO  30  24.954   0.349  -4.562
  260   2HD   PRO  30          2HD       PRO  30  24.084  -0.265  -3.171
  Start of MODEL   18
    1   1H    MET   1           H1       MET   1 -10.312  -2.369  -4.093
    2    HA   MET   1           HA       MET   1 -12.156  -3.448  -3.537
    3   1HB   MET   1          1HB       MET   1 -10.287  -5.014  -1.687
    4   2HB   MET   1          2HB       MET   1 -12.020  -5.276  -1.664
    5   1HG   MET   1          1HG       MET   1 -11.765  -6.717  -3.403
    6   2HG   MET   1          2HG       MET   1 -11.329  -5.353  -4.413
    7   1HE   MET   1          1HE       MET   1  -9.848  -8.610  -4.647
    8   2HE   MET   1          2HE       MET   1  -8.881  -8.790  -3.163
    9   3HE   MET   1          3HE       MET   1 -10.629  -8.468  -3.053
   10    H    VAL   2           H        VAL   2 -13.758  -2.480  -2.334
   11    HA   VAL   2           HA       VAL   2 -13.568  -2.013   0.412
   12    HB   VAL   2           HB       VAL   2 -11.883  -0.337  -0.648
   13   1HG1  VAL   2          1HG1      VAL   2 -14.032   1.653  -0.830
   14   2HG1  VAL   2          2HG1      VAL   2 -12.628   1.379  -1.889
   15   3HG1  VAL   2          3HG1      VAL   2 -14.107   0.414  -2.105
   16   1HG2  VAL   2          1HG2      VAL   2 -11.955   0.604   1.379
   17   2HG2  VAL   2          2HG2      VAL   2 -13.570   1.290   1.080
   18   3HG2  VAL   2          3HG2      VAL   2 -13.410  -0.373   1.693
   19    H    LYS   3           H        LYS   3 -15.172   0.519   0.265
   20    HA   LYS   3           HA       LYS   3 -17.326   0.147  -1.489
   21   1HB   LYS   3          1HB       LYS   3 -17.422  -1.385   1.038
   22   2HB   LYS   3          2HB       LYS   3 -18.848  -0.422   0.706
   23   1HG   LYS   3          1HG       LYS   3 -19.523  -1.849  -0.926
   24   2HG   LYS   3          2HG       LYS   3 -17.976  -1.741  -1.741
   25   1HD   LYS   3          1HD       LYS   3 -17.026  -3.438  -0.164
   26   2HD   LYS   3          2HD       LYS   3 -18.574  -3.546   0.652
   27   1HE   LYS   3          1HE       LYS   3 -19.494  -4.857  -0.990
   28   2HE   LYS   3          2HE       LYS   3 -18.789  -3.907  -2.281
   29   1HZ   LYS   3          1HZ       LYS   3 -17.797  -6.316  -1.112
   30   2HZ   LYS   3          2HZ       LYS   3 -17.349  -5.606  -2.507
   31    H    SER   4           H        SER   4 -18.011   0.857   1.908
   32    HA   SER   4           HA       SER   4 -18.829   3.429   1.283
   33   1HB   SER   4          1HB       SER   4 -19.178   1.741   3.400
   34   2HB   SER   4          2HB       SER   4 -18.013   2.846   4.101
   35    HG   SER   4           HG       SER   4 -20.660   3.222   3.791
   36    H    LYS   5           H        LYS   5 -15.682   2.077   1.837
   37    HA   LYS   5           HA       LYS   5 -14.592   4.718   2.483
   38   1HB   LYS   5          1HB       LYS   5 -13.674   1.903   2.980
   39   2HB   LYS   5          2HB       LYS   5 -12.481   3.179   2.852
   40   1HG   LYS   5          1HG       LYS   5 -12.902   3.617   5.044
   41   2HG   LYS   5          2HG       LYS   5 -14.410   4.333   4.508
   42   1HD   LYS   5          1HD       LYS   5 -15.620   2.246   4.847
   43   2HD   LYS   5          2HD       LYS   5 -14.133   1.356   5.107
   44   1HE   LYS   5          1HE       LYS   5 -14.033   3.463   6.997
   45   2HE   LYS   5          2HE       LYS   5 -15.704   2.937   7.018
   46   1HZ   LYS   5          1HZ       LYS   5 -13.724   0.802   7.020
   47   2HZ   LYS   5          2HZ       LYS   5 -13.785   1.692   8.381
   48    H    ILE   6           H        ILE   6 -15.341   5.088   0.086
   49    HA   ILE   6           HA       ILE   6 -13.980   3.859  -1.998
   50    HB   ILE   6           HB       ILE   6 -15.446   6.431  -1.617
   51   1HG1  ILE   6          1HG1      ILE   6 -15.962   4.399  -3.758
   52   2HG1  ILE   6          2HG1      ILE   6 -16.363   3.992  -2.101
   53   1HG2  ILE   6          1HG2      ILE   6 -13.890   7.339  -3.051
   54   2HG2  ILE   6          2HG2      ILE   6 -13.581   5.794  -3.879
   55   3HG2  ILE   6          3HG2      ILE   6 -15.088   6.688  -4.195
   56   1HD1  ILE   6          1HD1      ILE   6 -17.273   6.582  -3.428
   57   2HD1  ILE   6          2HD1      ILE   6 -18.243   5.089  -3.428
   58   3HD1  ILE   6          3HD1      ILE   6 -17.848   5.893  -1.891
   59    H    GLY   7           H        GLY   7 -12.852   5.985   0.491
   60   1HA   GLY   7          1HA       GLY   7 -10.620   7.001  -1.081
   61   2HA   GLY   7          2HA       GLY   7 -11.016   7.374   0.585
   62    H    SER   8           H        SER   8 -10.856   4.049  -0.764
   63    HA   SER   8           HA       SER   8  -8.579   3.623   1.006
   64   1HB   SER   8          1HB       SER   8 -10.980   1.975   0.295
   65   2HB   SER   8          2HB       SER   8  -9.480   1.100   0.529
   66    HG   SER   8           HG       SER   8 -10.389   3.046   2.454
   67    H    TRP   9           H        TRP   9  -9.791   3.573  -2.278
   68    HA   TRP   9           HA       TRP   9  -7.843   1.746  -3.295
   69   1HB   TRP   9          1HB       TRP   9  -8.923   1.937  -5.264
   70   2HB   TRP   9          2HB       TRP   9 -10.211   2.476  -4.203
   71    HD1  TRP   9           HD1      TRP   9 -10.220   5.387  -3.934
   72    HE1  TRP   9           HE1      TRP   9 -10.029   7.227  -5.816
   73    HE3  TRP   9           HE3      TRP   9  -8.042   2.367  -7.397
   74    HZ2  TRP   9           HZ2      TRP   9  -9.011   7.213  -8.483
   75    HZ3  TRP   9           HZ3      TRP   9  -7.482   3.360  -9.615
   76    HH2  TRP   9           HH2      TRP   9  -7.932   5.694 -10.181
   77    H    ILE  10           H        ILE  10  -8.194   5.264  -2.749
   78    HA   ILE  10           HA       ILE  10  -6.182   6.205  -4.364
   79    HB   ILE  10           HB       ILE  10  -7.754   7.625  -3.221
   80   1HG1  ILE  10          1HG1      ILE  10  -6.055   9.275  -2.187
   81   2HG1  ILE  10          2HG1      ILE  10  -4.833   8.099  -2.628
   82   1HG2  ILE  10          1HG2      ILE  10  -6.339   6.881  -0.646
   83   2HG2  ILE  10          2HG2      ILE  10  -7.655   8.064  -0.832
   84   3HG2  ILE  10          3HG2      ILE  10  -7.962   6.338  -1.138
   85   1HD1  ILE  10          1HD1      ILE  10  -6.368   9.941  -4.345
   86   2HD1  ILE  10          2HD1      ILE  10  -4.826   9.113  -4.666
   87   3HD1  ILE  10          3HD1      ILE  10  -6.366   8.269  -4.954
   88    H    LEU  11           H        LEU  11  -6.016   4.568  -1.181
   89    HA   LEU  11           HA       LEU  11  -3.261   5.096  -0.802
   90   1HB   LEU  11          1HB       LEU  11  -5.427   3.781   0.569
   91   2HB   LEU  11          2HB       LEU  11  -3.999   2.766   0.598
   92    HG   LEU  11           HG       LEU  11  -4.119   4.170   2.580
   93   1HD1  LEU  11          1HD1      LEU  11  -1.893   4.045   0.776
   94   2HD1  LEU  11          2HD1      LEU  11  -1.859   5.596   1.649
   95   3HD1  LEU  11          3HD1      LEU  11  -1.905   4.065   2.556
   96   1HD2  LEU  11          1HD2      LEU  11  -4.603   6.355   2.618
   97   2HD2  LEU  11          2HD2      LEU  11  -3.537   6.720   1.239
   98   3HD2  LEU  11          3HD2      LEU  11  -5.181   6.099   0.954
   99    H    VAL  12           H        VAL  12  -5.166   2.426  -2.284
  100    HA   VAL  12           HA       VAL  12  -3.017   0.682  -2.648
  101    HB   VAL  12           HB       VAL  12  -5.543   1.026  -4.277
  102   1HG1  VAL  12          1HG1      VAL  12  -3.354  -0.592  -4.817
  103   2HG1  VAL  12          2HG1      VAL  12  -4.473  -1.680  -3.963
  104   3HG1  VAL  12          3HG1      VAL  12  -5.010  -0.823  -5.427
  105   1HG2  VAL  12          1HG2      VAL  12  -6.253  -0.953  -2.742
  106   2HG2  VAL  12          2HG2      VAL  12  -4.970  -0.357  -1.662
  107   3HG2  VAL  12          3HG2      VAL  12  -6.325   0.708  -2.105
  108    H    LEU  13           H        LEU  13  -3.886   3.700  -4.186
  109    HA   LEU  13           HA       LEU  13  -2.502   3.153  -6.627
  110   1HB   LEU  13          1HB       LEU  13  -3.629   5.662  -5.386
  111   2HB   LEU  13          2HB       LEU  13  -2.813   5.639  -6.936
  112    HG   LEU  13           HG       LEU  13  -5.546   4.914  -6.251
  113   1HD1  LEU  13          1HD1      LEU  13  -3.995   5.690  -8.703
  114   2HD1  LEU  13          2HD1      LEU  13  -5.658   5.072  -8.849
  115   3HD1  LEU  13          3HD1      LEU  13  -5.333   6.532  -7.886
  116   1HD2  LEU  13          1HD2      LEU  13  -4.724   2.623  -6.343
  117   2HD2  LEU  13          2HD2      LEU  13  -5.762   2.979  -7.745
  118   3HD2  LEU  13          3HD2      LEU  13  -3.992   2.930  -7.936
  119    H    PHE  14           H        PHE  14  -1.847   5.142  -3.662
  120    HA   PHE  14           HA       PHE  14   0.625   6.070  -4.394
  121   1HB   PHE  14          1HB       PHE  14  -0.730   5.227  -1.785
  122   2HB   PHE  14          2HB       PHE  14   0.911   5.838  -1.735
  123    HD1  PHE  14           HD1      PHE  14  -2.509   6.715  -1.683
  124    HD2  PHE  14           HD2      PHE  14   1.303   8.155  -2.868
  125    HE1  PHE  14           HE1      PHE  14  -3.387   9.067  -1.650
  126    HE2  PHE  14           HE2      PHE  14   0.426  10.507  -2.834
  127    HZ   PHE  14           HZ       PHE  14  -1.909  10.935  -2.225
  128    H    VAL  15           H        VAL  15  -0.302   2.894  -2.978
  129    HA   VAL  15           HA       VAL  15   2.421   2.094  -2.631
  130    HB   VAL  15           HB       VAL  15   1.451  -0.036  -1.999
  131   1HG1  VAL  15          1HG1      VAL  15   1.048   2.412  -0.710
  132   2HG1  VAL  15          2HG1      VAL  15  -0.526   1.587  -0.606
  133   3HG1  VAL  15          3HG1      VAL  15   0.940   0.789   0.016
  134   1HG2  VAL  15          1HG2      VAL  15  -1.128   1.142  -3.069
  135   2HG2  VAL  15          2HG2      VAL  15  -0.303  -0.348  -3.584
  136   3HG2  VAL  15          3HG2      VAL  15  -1.073  -0.265  -1.981
  137    H    ALA  16           H        ALA  16   0.020   2.078  -5.208
  138    HA   ALA  16           HA       ALA  16   1.211  -0.030  -6.696
  139   1HB   ALA  16          1HB       ALA  16  -0.230   1.634  -8.440
  140   2HB   ALA  16          2HB       ALA  16  -0.841   0.190  -7.597
  141   3HB   ALA  16          3HB       ALA  16  -1.054   1.801  -6.871
  142    H    MET  17           H        MET  17   1.462   3.565  -6.629
  143    HA   MET  17           HA       MET  17   3.130   3.672  -8.884
  144   1HB   MET  17          1HB       MET  17   1.731   5.479  -7.272
  145   2HB   MET  17          2HB       MET  17   3.390   5.822  -6.824
  146   1HG   MET  17          1HG       MET  17   3.920   5.987  -9.339
  147   2HG   MET  17          2HG       MET  17   2.194   5.909  -9.631
  148   1HE   MET  17          1HE       MET  17   0.965   9.283  -9.259
  149   2HE   MET  17          2HE       MET  17   1.802   8.526 -10.636
  150   3HE   MET  17          3HE       MET  17   0.713   7.557  -9.614
  151    H    TRP  18           H        TRP  18   3.692   3.480  -5.336
  152    HA   TRP  18           HA       TRP  18   6.486   3.915  -5.516
  153   1HB   TRP  18          1HB       TRP  18   5.758   4.389  -3.428
  154   2HB   TRP  18          2HB       TRP  18   4.526   3.144  -3.435
  155    HD1  TRP  18           HD1      TRP  18   8.370   2.582  -3.850
  156    HE1  TRP  18           HE1      TRP  18   9.270   0.941  -1.989
  157    HE3  TRP  18           HE3      TRP  18   3.960   2.151  -1.354
  158    HZ2  TRP  18           HZ2      TRP  18   8.065  -0.325   0.266
  159    HZ3  TRP  18           HZ3      TRP  18   3.908   0.693   0.667
  160    HH2  TRP  18           HH2      TRP  18   5.866  -0.521   1.485
  161    H    SER  19           H        SER  19   4.297   1.233  -6.108
  162    HA   SER  19           HA       SER  19   6.470  -0.661  -5.903
  163   1HB   SER  19          1HB       SER  19   3.469  -0.914  -6.287
  164   2HB   SER  19          2HB       SER  19   4.525  -2.281  -6.578
  165    HG   SER  19           HG       SER  19   3.526  -1.791  -4.291
  166    H    ASP  20           H        ASP  20   4.746   1.309  -8.210
  167    HA   ASP  20           HA       ASP  20   5.347  -0.408 -10.417
  168   1HB   ASP  20          1HB       ASP  20   4.005   2.271 -10.026
  169   2HB   ASP  20          2HB       ASP  20   4.580   1.865 -11.631
  170    HD2  ASP  20           HD2      ASP  20   2.106   0.408 -12.615
  171    H    VAL  21           H        VAL  21   6.435   2.687  -8.913
  172    HA   VAL  21           HA       VAL  21   8.064   3.751 -10.761
  173    HB   VAL  21           HB       VAL  21   9.508   4.435  -8.811
  174   1HG1  VAL  21          1HG1      VAL  21   6.652   4.954  -9.255
  175   2HG1  VAL  21          2HG1      VAL  21   7.194   5.336  -7.604
  176   3HG1  VAL  21          3HG1      VAL  21   8.000   6.088  -9.001
  177   1HG2  VAL  21          1HG2      VAL  21   9.404   2.635  -7.303
  178   2HG2  VAL  21          2HG2      VAL  21   8.417   3.904  -6.540
  179   3HG2  VAL  21          3HG2      VAL  21   7.628   2.549  -7.382
  180    H    GLY  22           H        GLY  22   8.879   0.986  -8.564
  181   1HA   GLY  22          1HA       GLY  22  10.470  -0.593  -8.702
  182   2HA   GLY  22          2HA       GLY  22  10.367  -0.414 -10.441
  183    H    LEU  23           H        LEU  23  11.502   1.798  -7.784
  184    HA   LEU  23           HA       LEU  23  13.357   2.974  -7.555
  185   1HB   LEU  23          1HB       LEU  23  14.102   0.315  -7.925
  186   2HB   LEU  23          2HB       LEU  23  15.195   1.216  -8.957
  187    HG   LEU  23           HG       LEU  23  15.706   2.679  -6.933
  188   1HD1  LEU  23          1HD1      LEU  23  13.862   0.698  -5.706
  189   2HD1  LEU  23          2HD1      LEU  23  15.311   1.146  -4.773
  190   3HD1  LEU  23          3HD1      LEU  23  14.165   2.403  -5.297
  191   1HD2  LEU  23          1HD2      LEU  23  17.062   0.679  -5.851
  192   2HD2  LEU  23          2HD2      LEU  23  16.512  -0.171  -7.316
  193   3HD2  LEU  23          3HD2      LEU  23  17.466   1.324  -7.460
  194    H    CYS  24           H        CYS  24  12.206   4.449  -9.144
  195    HA   CYS  24           HA       CYS  24  12.793   4.444 -11.836
  196   1HB   CYS  24          1HB       CYS  24  11.068   5.842 -10.523
  197   2HB   CYS  24          2HB       CYS  24  12.374   6.975 -10.236
  198    HG   CYS  24           HG       CYS  24  11.737   8.166 -12.208
  199    H    LYS  25           H        LYS  25  14.744   5.174  -9.022
  200    HA   LYS  25           HA       LYS  25  16.580   6.909 -10.328
  201   1HB   LYS  25          1HB       LYS  25  15.999   6.261  -7.718
  202   2HB   LYS  25          2HB       LYS  25  17.518   5.424  -7.962
  203   1HG   LYS  25          1HG       LYS  25  18.566   7.523  -8.794
  204   2HG   LYS  25          2HG       LYS  25  17.042   8.370  -8.622
  205   1HD   LYS  25          1HD       LYS  25  17.210   8.509  -6.320
  206   2HD   LYS  25          2HD       LYS  25  17.978   6.940  -6.170
  207   1HE   LYS  25          1HE       LYS  25  20.085   7.995  -7.205
  208   2HE   LYS  25          2HE       LYS  25  19.295   9.552  -7.041
  209   1HZ   LYS  25          1HZ       LYS  25  20.283   9.459  -5.002
  210   2HZ   LYS  25          2HZ       LYS  25  18.975   8.586  -4.574
  211    H    LYS  26           H        LYS  26  15.954   3.506 -10.399
  212    HA   LYS  26           HA       LYS  26  18.680   2.981 -11.329
  213   1HB   LYS  26          1HB       LYS  26  17.597   1.613  -9.455
  214   2HB   LYS  26          2HB       LYS  26  16.549   0.934 -10.684
  215   1HG   LYS  26          1HG       LYS  26  19.148   0.776 -11.801
  216   2HG   LYS  26          2HG       LYS  26  19.367   0.342 -10.118
  217   1HD   LYS  26          1HD       LYS  26  17.097  -1.093 -10.682
  218   2HD   LYS  26          2HD       LYS  26  17.850  -1.085 -12.265
  219   1HE   LYS  26          1HE       LYS  26  20.039  -1.706 -10.779
  220   2HE   LYS  26          2HE       LYS  26  18.808  -2.350  -9.712
  221   1HZ   LYS  26          1HZ       LYS  26  19.228  -3.096 -12.553
  222   2HZ   LYS  26          2HZ       LYS  26  19.411  -4.061 -11.254
  223    H    ARG  27           H        ARG  27  17.481   4.554 -13.117
  224    HA   ARG  27           HA       ARG  27  16.942   4.712 -15.203
  225   1HB   ARG  27          1HB       ARG  27  17.457   1.697 -15.329
  226   2HB   ARG  27          2HB       ARG  27  17.234   2.714 -16.738
  227   1HG   ARG  27          1HG       ARG  27  19.314   3.563 -14.730
  228   2HG   ARG  27          2HG       ARG  27  19.682   2.173 -15.732
  229   1HD   ARG  27          1HD       ARG  27  19.043   3.607 -17.771
  230   2HD   ARG  27          2HD       ARG  27  18.970   4.984 -16.689
  231    HE   ARG  27           HE       ARG  27  21.306   5.030 -16.642
  232   1HH1  ARG  27          1HH1      ARG  27  20.267   1.826 -17.744
  233   2HH1  ARG  27          2HH1      ARG  27  21.875   1.294 -18.108
  234   1HH2  ARG  27          1HH2      ARG  27  23.718   2.781 -17.734
  235    HA   PRO  28           HA       PRO  28  12.684   3.642 -14.945
  236   1HB   PRO  28          1HB       PRO  28  11.749   5.375 -16.840
  237   2HB   PRO  28          2HB       PRO  28  12.025   5.836 -15.172
  238   1HG   PRO  28          1HG       PRO  28  13.645   6.470 -17.561
  239   2HG   PRO  28          2HG       PRO  28  13.654   7.249 -15.993
  240   1HD   PRO  28          1HD       PRO  28  15.600   5.398 -16.999
  241   2HD   PRO  28          2HD       PRO  28  15.544   6.089 -15.389
  242    H    LYS  29           H        LYS  29  10.782   3.348 -16.745
  243    HA   LYS  29           HA       LYS  29  11.232   0.936 -17.848
  244   1HB   LYS  29          1HB       LYS  29   9.387   3.195 -18.474
  245   2HB   LYS  29          2HB       LYS  29   9.491   1.899 -19.648
  246   1HG   LYS  29          1HG       LYS  29   9.256   0.329 -17.507
  247   2HG   LYS  29          2HG       LYS  29   8.593   1.770 -16.759
  248   1HD   LYS  29          1HD       LYS  29   7.578   0.654 -19.413
  249   2HD   LYS  29          2HD       LYS  29   6.881   0.223 -17.864
  250   1HE   LYS  29          1HE       LYS  29   5.833   2.258 -17.614
  251   2HE   LYS  29          2HE       LYS  29   7.186   3.155 -18.276
  252   1HZ   LYS  29          1HZ       LYS  29   5.770   3.355 -20.032
  253   2HZ   LYS  29          2HZ       LYS  29   6.324   1.885 -20.464
  254    HA   PRO  30           HA       PRO  30  13.870   1.421 -21.226
  255   1HB   PRO  30          1HB       PRO  30  13.064  -0.571 -22.915
  256   2HB   PRO  30          2HB       PRO  30  14.073  -0.855 -21.511
  257   1HG   PRO  30          1HG       PRO  30  11.200  -1.446 -21.879
  258   2HG   PRO  30          2HG       PRO  30  12.310  -2.090 -20.684
  259   1HD   PRO  30          1HD       PRO  30  10.314  -0.074 -20.262
  260   2HD   PRO  30          2HD       PRO  30  11.500  -0.634 -19.099
  Start of MODEL   19
    1   1H    MET   1           H1       MET   1  -8.768   9.468  12.496
    2    HA   MET   1           HA       MET   1  -9.248  11.740  11.266
    3   1HB   MET   1          1HB       MET   1  -7.451   9.523  10.945
    4   2HB   MET   1          2HB       MET   1  -7.987   9.936   9.329
    5   1HG   MET   1          1HG       MET   1  -7.477  12.435  10.560
    6   2HG   MET   1          2HG       MET   1  -6.171  11.405  11.109
    7   1HE   MET   1          1HE       MET   1  -6.357  13.946   9.391
    8   2HE   MET   1          2HE       MET   1  -5.544  13.781   7.816
    9   3HE   MET   1          3HE       MET   1  -7.309  13.579   7.933
   10    H    VAL   2           H        VAL   2  -9.988   8.522   9.730
   11    HA   VAL   2           HA       VAL   2 -11.827   9.960   7.948
   12    HB   VAL   2           HB       VAL   2  -9.767   8.605   7.116
   13   1HG1  VAL   2          1HG1      VAL   2 -10.980   6.578   8.551
   14   2HG1  VAL   2          2HG1      VAL   2 -11.474   6.229   6.876
   15   3HG1  VAL   2          3HG1      VAL   2  -9.746   6.366   7.284
   16   1HG2  VAL   2          1HG2      VAL   2 -12.478   8.956   6.062
   17   2HG2  VAL   2          2HG2      VAL   2 -10.900   9.213   5.279
   18   3HG2  VAL   2          3HG2      VAL   2 -11.617   7.584   5.325
   19    H    LYS   3           H        LYS   3 -13.048   7.334   7.165
   20    HA   LYS   3           HA       LYS   3 -14.039   5.810   9.122
   21   1HB   LYS   3          1HB       LYS   3 -16.283   7.054   9.609
   22   2HB   LYS   3          2HB       LYS   3 -14.854   7.411  10.558
   23   1HG   LYS   3          1HG       LYS   3 -14.772   9.560   9.808
   24   2HG   LYS   3          2HG       LYS   3 -14.934   9.064   8.135
   25   1HD   LYS   3          1HD       LYS   3 -17.349   8.991   8.286
   26   2HD   LYS   3          2HD       LYS   3 -17.316   9.100  10.035
   27   1HE   LYS   3          1HE       LYS   3 -16.655  11.399  10.003
   28   2HE   LYS   3          2HE       LYS   3 -16.120  11.318   8.336
   29   1HZ   LYS   3          1HZ       LYS   3 -18.898  11.376   9.334
   30   2HZ   LYS   3          2HZ       LYS   3 -18.209  12.341   8.217
   31    H    SER   4           H        SER   4 -14.644   7.809   6.260
   32    HA   SER   4           HA       SER   4 -16.778   6.139   5.383
   33   1HB   SER   4          1HB       SER   4 -15.240   8.461   4.184
   34   2HB   SER   4          2HB       SER   4 -16.341   7.524   3.192
   35    HG   SER   4           HG       SER   4 -17.827   7.987   5.261
   36    H    LYS   5           H        LYS   5 -13.283   6.186   5.227
   37    HA   LYS   5           HA       LYS   5 -11.796   4.870   4.265
   38   1HB   LYS   5          1HB       LYS   5 -14.074   3.187   4.754
   39   2HB   LYS   5          2HB       LYS   5 -13.303   2.674   3.267
   40   1HG   LYS   5          1HG       LYS   5 -11.208   2.280   4.337
   41   2HG   LYS   5          2HG       LYS   5 -11.618   3.277   5.720
   42   1HD   LYS   5          1HD       LYS   5 -13.148   1.635   6.593
   43   2HD   LYS   5          2HD       LYS   5 -13.190   0.751   5.080
   44   1HE   LYS   5          1HE       LYS   5 -10.611   1.073   6.672
   45   2HE   LYS   5          2HE       LYS   5 -11.734  -0.235   6.992
   46   1HZ   LYS   5          1HZ       LYS   5 -10.080   0.198   4.613
   47   2HZ   LYS   5          2HZ       LYS   5 -10.405  -1.193   5.395
   48    H    ILE   6           H        ILE   6 -12.358   6.974   2.743
   49    HA   ILE   6           HA       ILE   6 -13.093   5.994   0.100
   50    HB   ILE   6           HB       ILE   6 -12.838   8.704   1.363
   51   1HG1  ILE   6          1HG1      ILE   6 -15.117   7.645  -0.298
   52   2HG1  ILE   6          2HG1      ILE   6 -14.949   7.174   1.382
   53   1HG2  ILE   6          1HG2      ILE   6 -11.668   8.831  -0.795
   54   2HG2  ILE   6          2HG2      ILE   6 -13.106   8.171  -1.609
   55   3HG2  ILE   6          3HG2      ILE   6 -13.189   9.754  -0.802
   56   1HD1  ILE   6          1HD1      ILE   6 -15.321   9.341   2.183
   57   2HD1  ILE   6          2HD1      ILE   6 -14.736  10.105   0.686
   58   3HD1  ILE   6          3HD1      ILE   6 -16.342   9.340   0.726
   59    H    GLY   7           H        GLY   7 -10.338   6.722   2.102
   60   1HA   GLY   7          1HA       GLY   7  -8.557   7.190  -0.151
   61   2HA   GLY   7          2HA       GLY   7  -8.153   7.187   1.554
   62    H    SER   8           H        SER   8 -10.134   4.520   0.415
   63    HA   SER   8           HA       SER   8  -7.991   2.740   1.026
   64   1HB   SER   8          1HB       SER   8 -10.842   2.642   1.045
   65   2HB   SER   8          2HB       SER   8 -10.325   1.429  -0.110
   66    HG   SER   8           HG       SER   8 -10.295   1.272   2.584
   67    H    TRP   9           H        TRP   9  -9.477   4.212  -1.797
   68    HA   TRP   9           HA       TRP   9  -8.245   2.238  -3.566
   69   1HB   TRP   9          1HB       TRP   9 -10.366   4.335  -3.904
   70   2HB   TRP   9          2HB       TRP   9  -9.491   3.732  -5.299
   71    HD1  TRP   9           HD1      TRP   9 -12.200   2.693  -2.825
   72    HE1  TRP   9           HE1      TRP   9 -13.309   0.393  -3.491
   73    HE3  TRP   9           HE3      TRP   9  -8.838   1.522  -6.455
   74    HZ2  TRP   9           HZ2      TRP   9 -12.669  -1.613  -5.417
   75    HZ3  TRP   9           HZ3      TRP   9  -9.153  -0.625  -7.681
   76    HH2  TRP   9           HH2      TRP   9 -10.989  -2.170  -7.212
   77    H    ILE  10           H        ILE  10  -7.638   5.200  -1.959
   78    HA   ILE  10           HA       ILE  10  -5.968   6.247  -4.095
   79    HB   ILE  10           HB       ILE  10  -5.969   8.239  -2.978
   80   1HG1  ILE  10          1HG1      ILE  10  -6.602   6.827  -0.371
   81   2HG1  ILE  10          2HG1      ILE  10  -5.004   7.337  -0.876
   82   1HG2  ILE  10          1HG2      ILE  10  -8.258   8.663  -2.153
   83   2HG2  ILE  10          2HG2      ILE  10  -8.233   7.736  -3.672
   84   3HG2  ILE  10          3HG2      ILE  10  -8.555   6.908  -2.129
   85   1HD1  ILE  10          1HD1      ILE  10  -6.447   9.667  -1.245
   86   2HD1  ILE  10          2HD1      ILE  10  -7.258   8.955   0.171
   87   3HD1  ILE  10          3HD1      ILE  10  -5.508   9.278   0.216
   88    H    LEU  11           H        LEU  11  -5.810   4.170  -1.321
   89    HA   LEU  11           HA       LEU  11  -3.038   4.711  -0.785
   90   1HB   LEU  11          1HB       LEU  11  -5.231   3.191   0.407
   91   2HB   LEU  11          2HB       LEU  11  -3.703   2.333   0.453
   92    HG   LEU  11           HG       LEU  11  -4.031   3.574   2.502
   93   1HD1  LEU  11          1HD1      LEU  11  -1.787   4.094   0.690
   94   2HD1  LEU  11          2HD1      LEU  11  -1.972   5.319   1.967
   95   3HD1  LEU  11          3HD1      LEU  11  -1.800   3.602   2.401
   96   1HD2  LEU  11          1HD2      LEU  11  -4.683   5.804   0.643
   97   2HD2  LEU  11          2HD2      LEU  11  -5.390   5.369   2.216
   98   3HD2  LEU  11          3HD2      LEU  11  -3.826   6.216   2.148
   99    H    VAL  12           H        VAL  12  -4.990   2.021  -2.237
  100    HA   VAL  12           HA       VAL  12  -2.886   0.363  -2.863
  101    HB   VAL  12           HB       VAL  12  -5.437   0.843  -4.417
  102   1HG1  VAL  12          1HG1      VAL  12  -4.017  -1.801  -4.208
  103   2HG1  VAL  12          2HG1      VAL  12  -5.145  -1.212  -5.453
  104   3HG1  VAL  12          3HG1      VAL  12  -3.477  -0.592  -5.398
  105   1HG2  VAL  12          1HG2      VAL  12  -6.612  -0.214  -2.820
  106   2HG2  VAL  12          2HG2      VAL  12  -5.345  -1.439  -2.571
  107   3HG2  VAL  12          3HG2      VAL  12  -5.229   0.138  -1.755
  108    H    LEU  13           H        LEU  13  -3.954   3.399  -4.354
  109    HA   LEU  13           HA       LEU  13  -2.501   3.006  -6.768
  110   1HB   LEU  13          1HB       LEU  13  -3.698   5.457  -5.471
  111   2HB   LEU  13          2HB       LEU  13  -2.946   5.451  -7.054
  112    HG   LEU  13           HG       LEU  13  -5.621   5.030  -6.498
  113   1HD1  LEU  13          1HD1      LEU  13  -4.477   5.806  -8.609
  114   2HD1  LEU  13          2HD1      LEU  13  -4.231   4.090  -9.014
  115   3HD1  LEU  13          3HD1      LEU  13  -5.881   4.735  -8.838
  116   1HD2  LEU  13          1HD2      LEU  13  -6.050   2.694  -7.279
  117   2HD2  LEU  13          2HD2      LEU  13  -4.315   2.357  -7.064
  118   3HD2  LEU  13          3HD2      LEU  13  -5.315   2.809  -5.663
  119    H    PHE  14           H        PHE  14  -1.956   5.025  -3.794
  120    HA   PHE  14           HA       PHE  14   0.519   5.985  -4.529
  121   1HB   PHE  14          1HB       PHE  14  -0.600   5.139  -1.788
  122   2HB   PHE  14          2HB       PHE  14   0.747   6.240  -1.999
  123    HD1  PHE  14           HD1      PHE  14  -1.928   6.723  -0.556
  124    HD2  PHE  14           HD2      PHE  14  -0.564   7.652  -4.466
  125    HE1  PHE  14           HE1      PHE  14  -3.523   8.658  -0.653
  126    HE2  PHE  14           HE2      PHE  14  -2.159   9.587  -4.563
  127    HZ   PHE  14           HZ       PHE  14  -3.620  10.067  -2.656
  128    H    VAL  15           H        VAL  15  -0.400   2.892  -2.931
  129    HA   VAL  15           HA       VAL  15   2.347   2.162  -2.528
  130    HB   VAL  15           HB       VAL  15   1.436   0.132  -1.622
  131   1HG1  VAL  15          1HG1      VAL  15  -0.434   2.346  -0.744
  132   2HG1  VAL  15          2HG1      VAL  15   0.240   1.014   0.226
  133   3HG1  VAL  15          3HG1      VAL  15   1.299   2.330  -0.336
  134   1HG2  VAL  15          1HG2      VAL  15  -0.996   0.936  -3.155
  135   2HG2  VAL  15          2HG2      VAL  15  -0.285  -0.673  -2.890
  136   3HG2  VAL  15          3HG2      VAL  15  -1.238   0.101  -1.602
  137    H    ALA  16           H        ALA  16   0.162   2.224  -5.169
  138    HA   ALA  16           HA       ALA  16   1.345  -0.101  -6.449
  139   1HB   ALA  16          1HB       ALA  16  -0.937   1.793  -7.044
  140   2HB   ALA  16          2HB       ALA  16  -0.290   0.719  -8.307
  141   3HB   ALA  16          3HB       ALA  16  -0.974   0.028  -6.816
  142    H    MET  17           H        MET  17   1.394   3.472  -6.497
  143    HA   MET  17           HA       MET  17   2.853   3.592  -8.915
  144   1HB   MET  17          1HB       MET  17   1.389   5.371  -7.399
  145   2HB   MET  17          2HB       MET  17   3.008   5.833  -6.913
  146   1HG   MET  17          1HG       MET  17   2.848   5.455  -9.823
  147   2HG   MET  17          2HG       MET  17   1.665   6.625  -9.274
  148   1HE   MET  17          1HE       MET  17   2.650   8.026 -10.744
  149   2HE   MET  17          2HE       MET  17   3.257   9.423  -9.823
  150   3HE   MET  17          3HE       MET  17   4.362   8.494 -10.864
  151    H    TRP  18           H        TRP  18   3.638   3.368  -5.448
  152    HA   TRP  18           HA       TRP  18   6.376   4.104  -5.795
  153   1HB   TRP  18          1HB       TRP  18   5.837   4.550  -3.665
  154   2HB   TRP  18          2HB       TRP  18   4.589   3.323  -3.595
  155    HD1  TRP  18           HD1      TRP  18   8.366   2.618  -4.251
  156    HE1  TRP  18           HE1      TRP  18   9.348   1.014  -2.399
  157    HE3  TRP  18           HE3      TRP  18   4.157   2.473  -1.400
  158    HZ2  TRP  18           HZ2      TRP  18   8.277  -0.110  -0.004
  159    HZ3  TRP  18           HZ3      TRP  18   4.210   1.099   0.678
  160    HH2  TRP  18           HH2      TRP  18   6.177  -0.164   1.391
  161    H    SER  19           H        SER  19   4.455   1.057  -5.419
  162    HA   SER  19           HA       SER  19   6.647  -0.634  -5.431
  163   1HB   SER  19          1HB       SER  19   4.190  -1.125  -4.805
  164   2HB   SER  19          2HB       SER  19   3.888  -1.320  -6.520
  165    HG   SER  19           HG       SER  19   5.697  -2.945  -6.475
  166    H    ASP  20           H        ASP  20   5.078   1.203  -7.961
  167    HA   ASP  20           HA       ASP  20   5.815  -0.503 -10.080
  168   1HB   ASP  20          1HB       ASP  20   3.974   1.077 -10.351
  169   2HB   ASP  20          2HB       ASP  20   5.003   2.432  -9.934
  170    HD2  ASP  20           HD2      ASP  20   5.382   0.017 -12.777
  171    H    VAL  21           H        VAL  21   7.117   2.481  -8.502
  172    HA   VAL  21           HA       VAL  21   9.180   2.980 -10.306
  173    HB   VAL  21           HB       VAL  21   8.701   3.616  -7.404
  174   1HG1  VAL  21          1HG1      VAL  21  11.094   4.405  -9.095
  175   2HG1  VAL  21          2HG1      VAL  21  10.628   5.216  -7.580
  176   3HG1  VAL  21          3HG1      VAL  21  11.097   3.499  -7.563
  177   1HG2  VAL  21          1HG2      VAL  21   7.453   4.662  -9.461
  178   2HG2  VAL  21          2HG2      VAL  21   8.019   5.706  -8.135
  179   3HG2  VAL  21          3HG2      VAL  21   8.952   5.603  -9.647
  180    H    GLY  22           H        GLY  22   8.721   0.476  -7.903
  181   1HA   GLY  22          1HA       GLY  22  11.128  -0.224  -6.969
  182   2HA   GLY  22          2HA       GLY  22   9.969  -1.390  -7.573
  183    H    LEU  23           H        LEU  23  10.022  -1.914  -9.964
  184    HA   LEU  23           HA       LEU  23  12.415  -1.180 -11.370
  185   1HB   LEU  23          1HB       LEU  23  12.173  -3.767  -9.953
  186   2HB   LEU  23          2HB       LEU  23  12.728  -3.852 -11.613
  187    HG   LEU  23           HG       LEU  23  14.287  -1.820 -10.584
  188   1HD1  LEU  23          1HD1      LEU  23  14.723  -3.829  -8.485
  189   2HD1  LEU  23          2HD1      LEU  23  14.751  -2.051  -8.406
  190   3HD1  LEU  23          3HD1      LEU  23  13.200  -2.921  -8.324
  191   1HD2  LEU  23          1HD2      LEU  23  14.795  -4.778 -10.924
  192   2HD2  LEU  23          2HD2      LEU  23  15.195  -3.444 -12.033
  193   3HD2  LEU  23          3HD2      LEU  23  16.078  -3.620 -10.498
  194    H    CYS  24           H        CYS  24  10.885  -0.306 -12.851
  195    HA   CYS  24           HA       CYS  24   9.818  -2.332 -14.600
  196   1HB   CYS  24          1HB       CYS  24   8.094  -0.741 -12.822
  197   2HB   CYS  24          2HB       CYS  24   7.649  -0.624 -14.512
  198    HG   CYS  24           HG       CYS  24   8.174  -3.334 -12.682
  199    H    LYS  25           H        LYS  25  11.154  -1.615 -16.283
  200    HA   LYS  25           HA       LYS  25  12.164  -0.202 -17.684
  201   1HB   LYS  25          1HB       LYS  25   9.499  -0.411 -18.222
  202   2HB   LYS  25          2HB       LYS  25   9.672   1.331 -18.138
  203   1HG   LYS  25          1HG       LYS  25  11.047   1.433 -20.002
  204   2HG   LYS  25          2HG       LYS  25  11.814  -0.105 -19.660
  205   1HD   LYS  25          1HD       LYS  25  10.338  -1.256 -20.965
  206   2HD   LYS  25          2HD       LYS  25   8.953  -0.439 -20.267
  207   1HE   LYS  25          1HE       LYS  25  10.667   1.219 -22.084
  208   2HE   LYS  25          2HE       LYS  25   9.770  -0.076 -22.852
  209   1HZ   LYS  25          1HZ       LYS  25   7.748   0.870 -22.219
  210   2HZ   LYS  25          2HZ       LYS  25   8.372   1.722 -20.980
  211    H    LYS  26           H        LYS  26  12.232   0.598 -14.824
  212    HA   LYS  26           HA       LYS  26  12.834   3.410 -15.314
  213   1HB   LYS  26          1HB       LYS  26  10.621   3.475 -14.345
  214   2HB   LYS  26          2HB       LYS  26  11.091   2.380 -13.060
  215   1HG   LYS  26          1HG       LYS  26  11.812   4.126 -11.813
  216   2HG   LYS  26          2HG       LYS  26  12.985   4.541 -13.047
  217   1HD   LYS  26          1HD       LYS  26  11.708   6.259 -13.873
  218   2HD   LYS  26          2HD       LYS  26  10.218   5.345 -13.749
  219   1HE   LYS  26          1HE       LYS  26  10.068   5.803 -11.335
  220   2HE   LYS  26          2HE       LYS  26  11.650   6.559 -11.339
  221   1HZ   LYS  26          1HZ       LYS  26  10.258   7.921 -13.267
  222   2HZ   LYS  26          2HZ       LYS  26   9.137   7.693 -12.107
  223    H    ARG  27           H        ARG  27  12.797   2.160 -12.045
  224    HA   ARG  27           HA       ARG  27  14.362   1.666 -10.643
  225   1HB   ARG  27          1HB       ARG  27  14.710  -0.314 -12.174
  226   2HB   ARG  27          2HB       ARG  27  15.937   0.591 -13.038
  227   1HG   ARG  27          1HG       ARG  27  17.231   0.825 -10.876
  228   2HG   ARG  27          2HG       ARG  27  16.033  -0.179 -10.083
  229   1HD   ARG  27          1HD       ARG  27  17.745  -1.718 -10.674
  230   2HD   ARG  27          2HD       ARG  27  16.537  -1.953 -11.921
  231    HE   ARG  27           HE       ARG  27  17.995  -1.009 -13.509
  232   1HH1  ARG  27          1HH1      ARG  27  19.245  -0.398 -10.250
  233   2HH1  ARG  27          2HH1      ARG  27  20.774   0.189 -10.812
  234   1HH2  ARG  27          1HH2      ARG  27  21.204   0.277 -13.167
  235    HA   PRO  28           HA       PRO  28  16.790   5.337 -11.670
  236   1HB   PRO  28          1HB       PRO  28  16.240   6.752  -9.399
  237   2HB   PRO  28          2HB       PRO  28  15.304   6.904 -10.871
  238   1HG   PRO  28          1HG       PRO  28  14.599   5.508  -8.362
  239   2HG   PRO  28          2HG       PRO  28  13.545   6.031  -9.660
  240   1HD   PRO  28          1HD       PRO  28  14.439   3.354  -9.150
  241   2HD   PRO  28          2HD       PRO  28  13.481   3.897 -10.513
  242    H    LYS  29           H        LYS  29  16.596   4.291  -8.294
  243    HA   LYS  29           HA       LYS  29  19.467   3.772  -8.459
  244   1HB   LYS  29          1HB       LYS  29  19.391   5.982  -7.547
  245   2HB   LYS  29          2HB       LYS  29  18.099   5.565  -6.441
  246   1HG   LYS  29          1HG       LYS  29  19.829   3.731  -5.571
  247   2HG   LYS  29          2HG       LYS  29  21.019   4.774  -6.327
  248   1HD   LYS  29          1HD       LYS  29  19.687   6.690  -4.989
  249   2HD   LYS  29          2HD       LYS  29  19.217   5.343  -3.973
  250   1HE   LYS  29          1HE       LYS  29  21.196   5.872  -2.901
  251   2HE   LYS  29          2HE       LYS  29  21.861   4.796  -4.113
  252   1HZ   LYS  29          1HZ       LYS  29  21.584   7.648  -4.775
  253   2HZ   LYS  29          2HZ       LYS  29  22.833   7.185  -3.837
  254    HA   PRO  30           HA       PRO  30  18.191   0.188  -6.408
  255   1HB   PRO  30          1HB       PRO  30  20.616  -0.803  -5.635
  256   2HB   PRO  30          2HB       PRO  30  19.971  -1.004  -7.251
  257   1HG   PRO  30          1HG       PRO  30  22.113   0.809  -6.323
  258   2HG   PRO  30          2HG       PRO  30  21.748   0.288  -7.956
  259   1HD   PRO  30          1HD       PRO  30  21.133   2.835  -6.791
  260   2HD   PRO  30          2HD       PRO  30  20.666   2.271  -8.383
  Start of MODEL   20
    1   1H    MET   1           H1       MET   1 -16.289  -0.974   7.133
    2    HA   MET   1           HA       MET   1 -17.308   0.966   8.867
    3   1HB   MET   1          1HB       MET   1 -15.190  -0.888   9.880
    4   2HB   MET   1          2HB       MET   1 -14.796   0.807  10.083
    5   1HG   MET   1          1HG       MET   1 -16.102   0.790  11.945
    6   2HG   MET   1          2HG       MET   1 -17.491   0.666  10.884
    7   1HE   MET   1          1HE       MET   1 -18.539  -2.917  10.887
    8   2HE   MET   1          2HE       MET   1 -19.222  -1.346  11.370
    9   3HE   MET   1          3HE       MET   1 -18.287  -1.484   9.861
   10    H    VAL   2           H        VAL   2 -17.038   1.594   6.437
   11    HA   VAL   2           HA       VAL   2 -14.562   3.103   6.266
   12    HB   VAL   2           HB       VAL   2 -13.705   1.471   4.977
   13   1HG1  VAL   2          1HG1      VAL   2 -15.559  -0.100   5.432
   14   2HG1  VAL   2          2HG1      VAL   2 -16.487   0.625   4.098
   15   3HG1  VAL   2          3HG1      VAL   2 -14.962  -0.230   3.760
   16   1HG2  VAL   2          1HG2      VAL   2 -15.589   2.821   3.015
   17   2HG2  VAL   2          2HG2      VAL   2 -13.935   3.325   3.439
   18   3HG2  VAL   2          3HG2      VAL   2 -14.201   1.804   2.555
   19    H    LYS   3           H        LYS   3 -14.724   4.865   4.640
   20    HA   LYS   3           HA       LYS   3 -17.452   5.831   4.580
   21   1HB   LYS   3          1HB       LYS   3 -15.767   7.348   5.393
   22   2HB   LYS   3          2HB       LYS   3 -14.780   7.116   3.964
   23   1HG   LYS   3          1HG       LYS   3 -17.102   7.894   2.761
   24   2HG   LYS   3          2HG       LYS   3 -17.297   8.714   4.297
   25   1HD   LYS   3          1HD       LYS   3 -14.639   8.932   2.876
   26   2HD   LYS   3          2HD       LYS   3 -15.988   9.872   2.271
   27   1HE   LYS   3          1HE       LYS   3 -16.123  10.298   5.039
   28   2HE   LYS   3          2HE       LYS   3 -14.398  10.247   4.735
   29   1HZ   LYS   3          1HZ       LYS   3 -15.517  11.784   2.699
   30   2HZ   LYS   3          2HZ       LYS   3 -16.209  12.311   4.076
   31    H    SER   4           H        SER   4 -14.870   4.671   2.394
   32    HA   SER   4           HA       SER   4 -16.767   4.032   0.446
   33   1HB   SER   4          1HB       SER   4 -14.863   6.141  -0.578
   34   2HB   SER   4          2HB       SER   4 -16.392   5.614  -1.255
   35    HG   SER   4           HG       SER   4 -16.233   7.788  -0.041
   36    H    LYS   5           H        LYS   5 -15.916   2.271  -0.626
   37    HA   LYS   5           HA       LYS   5 -13.152   1.644  -0.152
   38   1HB   LYS   5          1HB       LYS   5 -15.511   0.186  -0.491
   39   2HB   LYS   5          2HB       LYS   5 -14.594  -0.143  -1.948
   40   1HG   LYS   5          1HG       LYS   5 -12.591  -0.717  -0.534
   41   2HG   LYS   5          2HG       LYS   5 -13.547  -0.437   0.907
   42   1HD   LYS   5          1HD       LYS   5 -15.175  -2.186  -0.514
   43   2HD   LYS   5          2HD       LYS   5 -13.576  -2.749  -0.960
   44   1HE   LYS   5          1HE       LYS   5 -13.807  -2.154   1.931
   45   2HE   LYS   5          2HE       LYS   5 -14.938  -3.385   1.404
   46   1HZ   LYS   5          1HZ       LYS   5 -13.237  -4.825   1.295
   47   2HZ   LYS   5          2HZ       LYS   5 -12.433  -3.902   0.219
   48    H    ILE   6           H        ILE   6 -14.981   3.361  -2.515
   49    HA   ILE   6           HA       ILE   6 -13.234   2.713  -4.706
   50    HB   ILE   6           HB       ILE   6 -15.576   4.550  -4.303
   51   1HG1  ILE   6          1HG1      ILE   6 -15.258   2.383  -6.372
   52   2HG1  ILE   6          2HG1      ILE   6 -15.700   1.983  -4.724
   53   1HG2  ILE   6          1HG2      ILE   6 -13.949   4.346  -6.850
   54   2HG2  ILE   6          2HG2      ILE   6 -15.391   5.347  -6.559
   55   3HG2  ILE   6          3HG2      ILE   6 -13.871   5.708  -5.706
   56   1HD1  ILE   6          1HD1      ILE   6 -17.832   2.679  -5.050
   57   2HD1  ILE   6          2HD1      ILE   6 -17.280   4.252  -5.671
   58   3HD1  ILE   6          3HD1      ILE   6 -17.433   2.864  -6.775
   59    H    GLY   7           H        GLY   7 -13.335   4.938  -2.011
   60   1HA   GLY   7          1HA       GLY   7 -11.530   6.843  -3.272
   61   2HA   GLY   7          2HA       GLY   7 -12.230   6.928  -1.668
   62    H    SER   8           H        SER   8 -11.548   4.456  -0.531
   63    HA   SER   8           HA       SER   8  -9.058   4.919   0.407
   64   1HB   SER   8          1HB       SER   8 -11.058   2.986   0.774
   65   2HB   SER   8          2HB       SER   8  -9.671   2.040   0.273
   66    HG   SER   8           HG       SER   8  -8.692   3.786   2.032
   67    H    TRP   9           H        TRP   9 -10.013   3.552  -2.672
   68    HA   TRP   9           HA       TRP   9  -7.891   1.909  -3.278
   69   1HB   TRP   9          1HB       TRP   9 -10.110   2.845  -4.575
   70   2HB   TRP   9          2HB       TRP   9  -8.825   3.629  -5.474
   71    HD1  TRP   9           HD1      TRP   9 -10.547   0.309  -5.168
   72    HE1  TRP   9           HE1      TRP   9  -9.458  -1.551  -6.690
   73    HE3  TRP   9           HE3      TRP   9  -6.347   2.946  -6.290
   74    HZ2  TRP   9           HZ2      TRP   9  -7.018  -1.707  -8.160
   75    HZ3  TRP   9           HZ3      TRP   9  -4.662   1.867  -7.775
   76    HH2  TRP   9           HH2      TRP   9  -4.944  -0.377  -8.701
   77    H    ILE  10           H        ILE  10  -8.155   5.459  -3.074
   78    HA   ILE  10           HA       ILE  10  -6.039   6.302  -4.534
   79    HB   ILE  10           HB       ILE  10  -7.567   7.775  -3.398
   80   1HG1  ILE  10          1HG1      ILE  10  -5.826   9.346  -2.332
   81   2HG1  ILE  10          2HG1      ILE  10  -4.641   8.120  -2.734
   82   1HG2  ILE  10          1HG2      ILE  10  -7.401   6.210  -1.238
   83   2HG2  ILE  10          2HG2      ILE  10  -6.251   7.476  -0.747
   84   3HG2  ILE  10          3HG2      ILE  10  -7.927   7.909  -1.162
   85   1HD1  ILE  10          1HD1      ILE  10  -4.566   9.415  -4.669
   86   2HD1  ILE  10          2HD1      ILE  10  -5.804   8.227  -5.139
   87   3HD1  ILE  10          3HD1      ILE  10  -6.291   9.843  -4.574
   88    H    LEU  11           H        LEU  11  -5.969   4.889  -1.207
   89    HA   LEU  11           HA       LEU  11  -3.212   5.196  -0.855
   90   1HB   LEU  11          1HB       LEU  11  -5.457   3.943   0.486
   91   2HB   LEU  11          2HB       LEU  11  -4.017   2.950   0.598
   92    HG   LEU  11           HG       LEU  11  -4.222   4.417   2.525
   93   1HD1  LEU  11          1HD1      LEU  11  -1.960   3.865   1.286
   94   2HD1  LEU  11          2HD1      LEU  11  -1.931   5.627   1.028
   95   3HD1  LEU  11          3HD1      LEU  11  -2.005   4.970   2.682
   96   1HD2  LEU  11          1HD2      LEU  11  -3.597   6.978   1.587
   97   2HD2  LEU  11          2HD2      LEU  11  -4.899   6.395   0.523
   98   3HD2  LEU  11          3HD2      LEU  11  -5.137   6.426   2.287
   99    H    VAL  12           H        VAL  12  -5.213   2.489  -2.175
  100    HA   VAL  12           HA       VAL  12  -3.144   0.682  -2.520
  101    HB   VAL  12           HB       VAL  12  -5.721   1.142  -4.025
  102   1HG1  VAL  12          1HG1      VAL  12  -3.748  -1.152  -4.229
  103   2HG1  VAL  12          2HG1      VAL  12  -5.437  -1.246  -4.785
  104   3HG1  VAL  12          3HG1      VAL  12  -4.317  -0.081  -5.530
  105   1HG2  VAL  12          1HG2      VAL  12  -5.613   0.494  -1.499
  106   2HG2  VAL  12          2HG2      VAL  12  -6.710  -0.393  -2.584
  107   3HG2  VAL  12          3HG2      VAL  12  -5.151  -1.112  -2.111
  108    H    LEU  13           H        LEU  13  -3.850   3.694  -4.149
  109    HA   LEU  13           HA       LEU  13  -2.432   3.006  -6.543
  110   1HB   LEU  13          1HB       LEU  13  -3.691   4.660  -7.262
  111   2HB   LEU  13          2HB       LEU  13  -4.175   5.071  -5.628
  112    HG   LEU  13           HG       LEU  13  -2.046   6.433  -5.442
  113   1HD1  LEU  13          1HD1      LEU  13  -1.899   5.698  -8.360
  114   2HD1  LEU  13          2HD1      LEU  13  -1.168   7.195  -7.733
  115   3HD1  LEU  13          3HD1      LEU  13  -0.632   5.616  -7.112
  116   1HD2  LEU  13          1HD2      LEU  13  -3.045   8.182  -7.206
  117   2HD2  LEU  13          2HD2      LEU  13  -4.418   7.052  -7.123
  118   3HD2  LEU  13          3HD2      LEU  13  -3.817   7.833  -5.640
  119    H    PHE  14           H        PHE  14  -1.812   5.014  -3.591
  120    HA   PHE  14           HA       PHE  14   0.692   5.907  -4.294
  121   1HB   PHE  14          1HB       PHE  14  -0.811   5.202  -1.740
  122   2HB   PHE  14          2HB       PHE  14   0.879   5.644  -1.594
  123    HD1  PHE  14           HD1      PHE  14  -2.063   6.942  -3.510
  124    HD2  PHE  14           HD2      PHE  14   1.204   7.821  -0.949
  125    HE1  PHE  14           HE1      PHE  14  -2.697   9.371  -3.536
  126    HE2  PHE  14           HE2      PHE  14   0.570  10.250  -0.974
  127    HZ   PHE  14           HZ       PHE  14  -1.372  10.995  -2.267
  128    H    VAL  15           H        VAL  15  -0.317   2.795  -2.783
  129    HA   VAL  15           HA       VAL  15   2.406   1.960  -2.436
  130    HB   VAL  15           HB       VAL  15   1.227  -0.224  -1.863
  131   1HG1  VAL  15          1HG1      VAL  15   1.732   2.063  -0.392
  132   2HG1  VAL  15          2HG1      VAL  15   0.029   1.711  -0.014
  133   3HG1  VAL  15          3HG1      VAL  15   1.277   0.474   0.269
  134   1HG2  VAL  15          1HG2      VAL  15  -1.320   1.138  -1.380
  135   2HG2  VAL  15          2HG2      VAL  15  -0.940   0.977  -3.111
  136   3HG2  VAL  15          3HG2      VAL  15  -0.992  -0.468  -2.074
  137    H    ALA  16           H        ALA  16   0.151   2.132  -5.035
  138    HA   ALA  16           HA       ALA  16   1.259  -0.173  -6.405
  139   1HB   ALA  16          1HB       ALA  16  -0.383   0.562  -8.180
  140   2HB   ALA  16          2HB       ALA  16  -1.120   0.190  -6.603
  141   3HB   ALA  16          3HB       ALA  16  -0.875   1.884  -7.095
  142    H    MET  17           H        MET  17   1.398   3.407  -6.390
  143    HA   MET  17           HA       MET  17   2.858   3.533  -8.802
  144   1HB   MET  17          1HB       MET  17   1.489   5.319  -7.135
  145   2HB   MET  17          2HB       MET  17   3.158   5.760  -6.835
  146   1HG   MET  17          1HG       MET  17   3.075   5.471  -9.627
  147   2HG   MET  17          2HG       MET  17   1.518   6.184  -9.256
  148   1HE   MET  17          1HE       MET  17   1.927   9.190  -9.795
  149   2HE   MET  17          2HE       MET  17   3.532   9.042 -10.552
  150   3HE   MET  17          3HE       MET  17   2.311   7.770 -10.799
  151    H    TRP  18           H        TRP  18   3.677   3.529  -5.293
  152    HA   TRP  18           HA       TRP  18   6.395   4.132  -5.610
  153   1HB   TRP  18          1HB       TRP  18   5.795   4.431  -3.461
  154   2HB   TRP  18          2HB       TRP  18   4.621   3.130  -3.476
  155    HD1  TRP  18           HD1      TRP  18   8.476   2.827  -4.063
  156    HE1  TRP  18           HE1      TRP  18   9.536   1.115  -2.360
  157    HE3  TRP  18           HE3      TRP  18   4.185   1.927  -1.488
  158    HZ2  TRP  18           HZ2      TRP  18   8.485  -0.389  -0.174
  159    HZ3  TRP  18           HZ3      TRP  18   4.288   0.323   0.417
  160    HH2  TRP  18           HH2      TRP  18   6.344  -0.818   1.087
  161    H    SER  19           H        SER  19   4.432   1.281  -6.216
  162    HA   SER  19           HA       SER  19   6.768  -0.415  -6.207
  163   1HB   SER  19          1HB       SER  19   4.095  -0.855  -5.572
  164   2HB   SER  19          2HB       SER  19   4.213  -1.559  -7.172
  165    HG   SER  19           HG       SER  19   6.363  -2.494  -6.065
  166    H    ASP  20           H        ASP  20   4.915   1.592  -8.330
  167    HA   ASP  20           HA       ASP  20   5.667   0.037 -10.648
  168   1HB   ASP  20          1HB       ASP  20   3.841   2.395 -10.125
  169   2HB   ASP  20          2HB       ASP  20   4.419   2.122 -11.757
  170    HD2  ASP  20           HD2      ASP  20   1.257   0.406 -11.480
  171    H    VAL  21           H        VAL  21   7.112   2.207  -8.599
  172    HA   VAL  21           HA       VAL  21   8.441   3.680 -10.764
  173    HB   VAL  21           HB       VAL  21   7.941   4.317  -7.859
  174   1HG1  VAL  21          1HG1      VAL  21   9.924   5.361  -7.814
  175   2HG1  VAL  21          2HG1      VAL  21  10.160   5.165  -9.568
  176   3HG1  VAL  21          3HG1      VAL  21   9.207   6.534  -8.946
  177   1HG2  VAL  21          1HG2      VAL  21   6.186   4.787  -9.643
  178   2HG2  VAL  21          2HG2      VAL  21   6.701   6.177  -8.658
  179   3HG2  VAL  21          3HG2      VAL  21   7.325   5.981 -10.313
  180    H    GLY  22           H        GLY  22   8.735   1.293  -8.216
  181   1HA   GLY  22          1HA       GLY  22  11.653   1.474  -8.186
  182   2HA   GLY  22          2HA       GLY  22  10.635   0.481  -7.161
  183    H    LEU  23           H        LEU  23  10.487   0.794 -10.759
  184    HA   LEU  23           HA       LEU  23  11.592  -1.895 -10.987
  185   1HB   LEU  23          1HB       LEU  23   8.909  -1.586 -10.896
  186   2HB   LEU  23          2HB       LEU  23   9.179  -1.354 -12.612
  187    HG   LEU  23           HG       LEU  23   8.646  -3.655 -12.220
  188   1HD1  LEU  23          1HD1      LEU  23  11.101  -4.643 -12.780
  189   2HD1  LEU  23          2HD1      LEU  23  10.062  -3.816 -13.965
  190   3HD1  LEU  23          3HD1      LEU  23  11.360  -2.920 -13.140
  191   1HD2  LEU  23          1HD2      LEU  23  10.290  -3.310  -9.858
  192   2HD2  LEU  23          2HD2      LEU  23   9.077  -4.556 -10.235
  193   3HD2  LEU  23          3HD2      LEU  23  10.762  -4.764 -10.769
  194    H    CYS  24           H        CYS  24  10.087   0.819 -12.887
  195    HA   CYS  24           HA       CYS  24  12.239   0.456 -14.821
  196   1HB   CYS  24          1HB       CYS  24   9.528   0.743 -15.213
  197   2HB   CYS  24          2HB       CYS  24  10.100   2.380 -15.472
  198    HG   CYS  24           HG       CYS  24  12.334   1.015 -16.808
  199    H    LYS  25           H        LYS  25  13.691   1.450 -13.064
  200    HA   LYS  25           HA       LYS  25  14.513   3.920 -13.658
  201   1HB   LYS  25          1HB       LYS  25  12.641   5.153 -13.165
  202   2HB   LYS  25          2HB       LYS  25  12.120   4.082 -11.879
  203   1HG   LYS  25          1HG       LYS  25  13.933   4.903 -10.407
  204   2HG   LYS  25          2HG       LYS  25  14.568   5.901 -11.700
  205   1HD   LYS  25          1HD       LYS  25  12.476   7.231 -11.748
  206   2HD   LYS  25          2HD       LYS  25  11.762   6.195 -10.529
  207   1HE   LYS  25          1HE       LYS  25  12.544   7.850  -9.118
  208   2HE   LYS  25          2HE       LYS  25  14.000   6.874  -9.172
  209   1HZ   LYS  25          1HZ       LYS  25  14.328   8.437 -11.336
  210   2HZ   LYS  25          2HZ       LYS  25  13.518   9.468 -10.369
  211    H    LYS  26           H        LYS  26  13.810   1.493 -11.174
  212    HA   LYS  26           HA       LYS  26  16.247   2.272  -9.757
  213   1HB   LYS  26          1HB       LYS  26  13.722   1.551  -8.845
  214   2HB   LYS  26          2HB       LYS  26  14.665   0.094  -8.610
  215   1HG   LYS  26          1HG       LYS  26  16.220   1.167  -7.174
  216   2HG   LYS  26          2HG       LYS  26  15.828   2.765  -7.775
  217   1HD   LYS  26          1HD       LYS  26  13.376   1.831  -6.759
  218   2HD   LYS  26          2HD       LYS  26  14.552   1.214  -5.615
  219   1HE   LYS  26          1HE       LYS  26  15.037   4.033  -6.427
  220   2HE   LYS  26          2HE       LYS  26  13.512   3.790  -5.598
  221   1HZ   LYS  26          1HZ       LYS  26  15.854   2.501  -4.416
  222   2HZ   LYS  26          2HZ       LYS  26  15.774   4.121  -4.278
  223    H    ARG  27           H        ARG  27  17.074   1.423 -12.094
  224    HA   ARG  27           HA       ARG  27  17.521  -1.433 -11.764
  225   1HB   ARG  27          1HB       ARG  27  18.067  -1.444 -14.203
  226   2HB   ARG  27          2HB       ARG  27  16.453  -0.828 -13.912
  227   1HG   ARG  27          1HG       ARG  27  17.291   1.509 -14.082
  228   2HG   ARG  27          2HG       ARG  27  18.927   0.922 -14.310
  229   1HD   ARG  27          1HD       ARG  27  18.153  -0.298 -16.392
  230   2HD   ARG  27          2HD       ARG  27  16.563   0.407 -16.181
  231    HE   ARG  27           HE       ARG  27  19.009   1.814 -17.045
  232   1HH1  ARG  27          1HH1      ARG  27  15.672   2.135 -15.901
  233   2HH1  ARG  27          2HH1      ARG  27  15.489   3.749 -16.505
  234   1HH2  ARG  27          1HH2      ARG  27  17.322   4.791 -17.643
  235    HA   PRO  28           HA       PRO  28  21.749  -0.539 -11.166
  236   1HB   PRO  28          1HB       PRO  28  22.920  -2.901 -11.886
  237   2HB   PRO  28          2HB       PRO  28  22.160  -2.644 -10.329
  238   1HG   PRO  28          1HG       PRO  28  21.158  -4.176 -12.650
  239   2HG   PRO  28          2HG       PRO  28  20.641  -4.253 -10.978
  240   1HD   PRO  28          1HD       PRO  28  19.276  -2.950 -13.138
  241   2HD   PRO  28          2HD       PRO  28  18.821  -2.930 -11.445
  242    H    LYS  29           H        LYS  29  22.377   1.147 -12.424
  243    HA   LYS  29           HA       LYS  29  22.649   0.745 -15.219
  244   1HB   LYS  29          1HB       LYS  29  22.554   2.923 -13.416
  245   2HB   LYS  29          2HB       LYS  29  24.101   3.038 -14.232
  246   1HG   LYS  29          1HG       LYS  29  23.084   3.096 -16.406
  247   2HG   LYS  29          2HG       LYS  29  21.548   2.510 -15.798
  248   1HD   LYS  29          1HD       LYS  29  20.995   4.745 -15.881
  249   2HD   LYS  29          2HD       LYS  29  21.735   4.758 -14.294
  250   1HE   LYS  29          1HE       LYS  29  23.679   5.076 -16.521
  251   2HE   LYS  29          2HE       LYS  29  22.501   6.370 -16.423
  252   1HZ   LYS  29          1HZ       LYS  29  24.317   6.935 -14.997
  253   2HZ   LYS  29          2HZ       LYS  29  23.098   6.527 -13.997
  254    HA   PRO  30           HA       PRO  30  27.230   0.497 -14.098
  255   1HB   PRO  30          1HB       PRO  30  28.013   0.360 -11.484
  256   2HB   PRO  30          2HB       PRO  30  27.970   1.857 -12.394
  257   1HG   PRO  30          1HG       PRO  30  26.103   0.899 -10.310
  258   2HG   PRO  30          2HG       PRO  30  26.331   2.528 -10.917
  259   1HD   PRO  30          1HD       PRO  30  24.179   0.743 -11.559
  260   2HD   PRO  30          2HD       PRO  30  24.469   2.326 -12.252
  Start of MODEL   21
    1   1H    MET   1           H1       MET   1 -16.848   5.756   7.768
    2    HA   MET   1           HA       MET   1 -16.683   3.499   8.641
    3   1HB   MET   1          1HB       MET   1 -19.644   4.079   8.944
    4   2HB   MET   1          2HB       MET   1 -19.175   2.428   8.592
    5   1HG   MET   1          1HG       MET   1 -17.381   3.206  10.621
    6   2HG   MET   1          2HG       MET   1 -18.893   3.950  11.100
    7   1HE   MET   1          1HE       MET   1 -20.684   2.634  12.432
    8   2HE   MET   1          2HE       MET   1 -21.196   2.585  10.729
    9   3HE   MET   1          3HE       MET   1 -21.302   1.119  11.733
   10    H    VAL   2           H        VAL   2 -19.472   4.562   6.550
   11    HA   VAL   2           HA       VAL   2 -20.012   4.074   4.464
   12    HB   VAL   2           HB       VAL   2 -17.040   3.729   4.037
   13   1HG1  VAL   2          1HG1      VAL   2 -18.015   3.103   2.032
   14   2HG1  VAL   2          2HG1      VAL   2 -19.392   4.213   2.229
   15   3HG1  VAL   2          3HG1      VAL   2 -17.791   4.851   1.788
   16   1HG2  VAL   2          1HG2      VAL   2 -18.287   5.960   5.133
   17   2HG2  VAL   2          2HG2      VAL   2 -16.695   5.922   4.335
   18   3HG2  VAL   2          3HG2      VAL   2 -18.149   6.357   3.404
   19    H    LYS   3           H        LYS   3 -19.927   2.317   2.678
   20    HA   LYS   3           HA       LYS   3 -19.267  -0.266   3.903
   21   1HB   LYS   3          1HB       LYS   3 -21.359  -1.181   2.945
   22   2HB   LYS   3          2HB       LYS   3 -21.635   0.011   4.198
   23   1HG   LYS   3          1HG       LYS   3 -22.081   1.755   2.509
   24   2HG   LYS   3          2HG       LYS   3 -21.668   0.652   1.211
   25   1HD   LYS   3          1HD       LYS   3 -23.821  -0.197   3.147
   26   2HD   LYS   3          2HD       LYS   3 -24.219   1.045   1.978
   27   1HE   LYS   3          1HE       LYS   3 -23.242  -0.548   0.176
   28   2HE   LYS   3          2HE       LYS   3 -23.251  -1.790   1.413
   29   1HZ   LYS   3          1HZ       LYS   3 -25.755  -0.405   1.291
   30   2HZ   LYS   3          2HZ       LYS   3 -25.390  -1.082  -0.145
   31    H    SER   4           H        SER   4 -17.287   0.570   2.502
   32    HA   SER   4           HA       SER   4 -17.026  -1.124   0.419
   33   1HB   SER   4          1HB       SER   4 -18.609  -0.027  -0.965
   34   2HB   SER   4          2HB       SER   4 -18.104   1.570  -0.448
   35    HG   SER   4           HG       SER   4 -17.386   0.819  -2.653
   36    H    LYS   5           H        LYS   5 -16.323   2.066   1.847
   37    HA   LYS   5           HA       LYS   5 -14.430   3.101   2.309
   38   1HB   LYS   5          1HB       LYS   5 -13.869   0.508   2.837
   39   2HB   LYS   5          2HB       LYS   5 -12.649   0.824   1.619
   40   1HG   LYS   5          1HG       LYS   5 -11.433   2.145   3.023
   41   2HG   LYS   5          2HG       LYS   5 -12.846   3.050   3.528
   42   1HD   LYS   5          1HD       LYS   5 -13.444   0.887   4.917
   43   2HD   LYS   5          2HD       LYS   5 -11.762   0.459   4.678
   44   1HE   LYS   5          1HE       LYS   5 -11.593   3.134   5.468
   45   2HE   LYS   5          2HE       LYS   5 -12.944   2.548   6.418
   46   1HZ   LYS   5          1HZ       LYS   5 -10.703   0.727   6.368
   47   2HZ   LYS   5          2HZ       LYS   5 -10.347   2.157   7.061
   48    H    ILE   6           H        ILE   6 -14.893   4.480   0.464
   49    HA   ILE   6           HA       ILE   6 -13.682   3.809  -2.047
   50    HB   ILE   6           HB       ILE   6 -15.270   6.107  -0.960
   51   1HG1  ILE   6          1HG1      ILE   6 -16.438   4.071  -1.702
   52   2HG1  ILE   6          2HG1      ILE   6 -16.850   5.470  -2.675
   53   1HG2  ILE   6          1HG2      ILE   6 -13.698   7.308  -2.229
   54   2HG2  ILE   6          2HG2      ILE   6 -13.647   6.068  -3.505
   55   3HG2  ILE   6          3HG2      ILE   6 -15.095   7.084  -3.309
   56   1HD1  ILE   6          1HD1      ILE   6 -15.792   2.968  -3.567
   57   2HD1  ILE   6          2HD1      ILE   6 -16.158   4.408  -4.548
   58   3HD1  ILE   6          3HD1      ILE   6 -14.535   4.194  -3.852
   59    H    GLY   7           H        GLY   7 -12.697   5.262   0.950
   60   1HA   GLY   7          1HA       GLY   7 -10.553   6.815  -0.267
   61   2HA   GLY   7          2HA       GLY   7 -10.970   6.711   1.431
   62    H    SER   8           H        SER   8 -10.714   3.760  -0.532
   63    HA   SER   8           HA       SER   8  -8.272   3.162   0.943
   64   1HB   SER   8          1HB       SER   8 -10.491   1.773   1.235
   65   2HB   SER   8          2HB       SER   8 -10.067   1.066  -0.311
   66    HG   SER   8           HG       SER   8  -8.453  -0.050   0.590
   67    H    TRP   9           H        TRP   9  -9.772   3.611  -2.183
   68    HA   TRP   9           HA       TRP   9  -8.047   2.018  -3.731
   69   1HB   TRP   9          1HB       TRP   9  -9.949   4.262  -4.245
   70   2HB   TRP   9          2HB       TRP   9  -8.802   3.832  -5.499
   71    HD1  TRP   9           HD1      TRP   9 -12.160   2.859  -4.272
   72    HE1  TRP   9           HE1      TRP   9 -13.060   0.619  -5.336
   73    HE3  TRP   9           HE3      TRP   9  -7.700   1.375  -6.213
   74    HZ2  TRP   9           HZ2      TRP   9 -11.833  -1.477  -6.836
   75    HZ3  TRP   9           HZ3      TRP   9  -7.638  -0.782  -7.462
   76    HH2  TRP   9           HH2      TRP   9  -9.609  -2.190  -7.788
   77    H    ILE  10           H        ILE  10  -8.148   5.625  -3.209
   78    HA   ILE  10           HA       ILE  10  -5.882   6.352  -4.430
   79    HB   ILE  10           HB       ILE  10  -7.342   7.303  -2.034
   80   1HG1  ILE  10          1HG1      ILE  10  -7.823   7.815  -4.512
   81   2HG1  ILE  10          2HG1      ILE  10  -7.852   9.138  -3.364
   82   1HG2  ILE  10          1HG2      ILE  10  -5.571   9.255  -2.041
   83   2HG2  ILE  10          2HG2      ILE  10  -5.338   7.799  -1.044
   84   3HG2  ILE  10          3HG2      ILE  10  -4.480   7.963  -2.596
   85   1HD1  ILE  10          1HD1      ILE  10  -5.511   9.736  -3.981
   86   2HD1  ILE  10          2HD1      ILE  10  -5.492   8.398  -5.155
   87   3HD1  ILE  10          3HD1      ILE  10  -6.592   9.776  -5.393
   88    H    LEU  11           H        LEU  11  -6.167   4.407  -1.484
   89    HA   LEU  11           HA       LEU  11  -3.500   4.741  -0.632
   90   1HB   LEU  11          1HB       LEU  11  -5.843   3.483   0.266
   91   2HB   LEU  11          2HB       LEU  11  -4.665   2.197   0.092
   92    HG   LEU  11           HG       LEU  11  -4.673   3.089   2.356
   93   1HD1  LEU  11          1HD1      LEU  11  -2.301   3.127   0.623
   94   2HD1  LEU  11          2HD1      LEU  11  -2.117   4.051   2.134
   95   3HD1  LEU  11          3HD1      LEU  11  -2.574   2.332   2.192
   96   1HD2  LEU  11          1HD2      LEU  11  -5.241   5.255   2.529
   97   2HD2  LEU  11          2HD2      LEU  11  -3.490   5.537   2.376
   98   3HD2  LEU  11          3HD2      LEU  11  -4.541   5.676   0.947
   99    H    VAL  12           H        VAL  12  -5.105   1.898  -2.242
  100    HA   VAL  12           HA       VAL  12  -2.875   0.449  -2.763
  101    HB   VAL  12           HB       VAL  12  -5.477   0.193  -3.277
  102   1HG1  VAL  12          1HG1      VAL  12  -5.570   1.723  -5.147
  103   2HG1  VAL  12          2HG1      VAL  12  -4.246   0.865  -5.970
  104   3HG1  VAL  12          3HG1      VAL  12  -5.821   0.065  -5.746
  105   1HG2  VAL  12          1HG2      VAL  12  -4.601  -1.868  -3.337
  106   2HG2  VAL  12          2HG2      VAL  12  -4.409  -1.624  -5.090
  107   3HG2  VAL  12          3HG2      VAL  12  -3.054  -1.277  -3.989
  108    H    LEU  13           H        LEU  13  -4.027   3.407  -4.388
  109    HA   LEU  13           HA       LEU  13  -2.421   3.224  -6.661
  110   1HB   LEU  13          1HB       LEU  13  -3.757   5.460  -5.176
  111   2HB   LEU  13          2HB       LEU  13  -2.680   5.812  -6.513
  112    HG   LEU  13           HG       LEU  13  -5.259   5.582  -6.892
  113   1HD1  LEU  13          1HD1      LEU  13  -4.000   4.056  -9.033
  114   2HD1  LEU  13          2HD1      LEU  13  -4.714   5.686  -9.048
  115   3HD1  LEU  13          3HD1      LEU  13  -3.026   5.458  -8.530
  116   1HD2  LEU  13          1HD2      LEU  13  -5.789   3.499  -5.993
  117   2HD2  LEU  13          2HD2      LEU  13  -5.733   3.196  -7.745
  118   3HD2  LEU  13          3HD2      LEU  13  -4.364   2.712  -6.715
  119    H    PHE  14           H        PHE  14  -1.865   5.302  -3.726
  120    HA   PHE  14           HA       PHE  14   0.608   6.151  -4.210
  121   1HB   PHE  14          1HB       PHE  14  -0.519   4.898  -1.634
  122   2HB   PHE  14          2HB       PHE  14   0.881   5.952  -1.659
  123    HD1  PHE  14           HD1      PHE  14  -1.996   6.175  -0.322
  124    HD2  PHE  14           HD2      PHE  14  -0.129   7.960  -3.689
  125    HE1  PHE  14           HE1      PHE  14  -3.497   8.173  -0.095
  126    HE2  PHE  14           HE2      PHE  14  -1.630   9.958  -3.461
  127    HZ   PHE  14           HZ       PHE  14  -3.296  10.042  -1.668
  128    H    VAL  15           H        VAL  15  -0.195   2.907  -2.798
  129    HA   VAL  15           HA       VAL  15   2.528   2.128  -2.654
  130    HB   VAL  15           HB       VAL  15   1.579  -0.083  -2.159
  131   1HG1  VAL  15          1HG1      VAL  15   1.511   2.154  -0.601
  132   2HG1  VAL  15          2HG1      VAL  15  -0.195   1.646  -0.541
  133   3HG1  VAL  15          3HG1      VAL  15   1.089   0.520  -0.037
  134   1HG2  VAL  15          1HG2      VAL  15  -0.864  -0.388  -2.031
  135   2HG2  VAL  15          2HG2      VAL  15  -1.100   1.227  -2.740
  136   3HG2  VAL  15          3HG2      VAL  15  -0.326  -0.059  -3.695
  137    H    ALA  16           H        ALA  16  -0.124   1.801  -5.048
  138    HA   ALA  16           HA       ALA  16   1.162  -0.072  -6.688
  139   1HB   ALA  16          1HB       ALA  16  -0.479   0.738  -8.383
  140   2HB   ALA  16          2HB       ALA  16  -1.234   0.404  -6.807
  141   3HB   ALA  16          3HB       ALA  16  -0.903   2.083  -7.298
  142    H    MET  17           H        MET  17   1.403   3.475  -6.340
  143    HA   MET  17           HA       MET  17   2.844   3.790  -8.752
  144   1HB   MET  17          1HB       MET  17   1.910   5.440  -6.450
  145   2HB   MET  17          2HB       MET  17   3.431   5.999  -7.120
  146   1HG   MET  17          1HG       MET  17   1.277   5.312  -9.101
  147   2HG   MET  17          2HG       MET  17   1.008   6.742  -8.123
  148   1HE   MET  17          1HE       MET  17   2.413   9.002 -10.704
  149   2HE   MET  17          2HE       MET  17   0.969   7.988 -10.471
  150   3HE   MET  17          3HE       MET  17   1.616   8.940  -9.114
  151    H    TRP  18           H        TRP  18   3.679   3.434  -5.266
  152    HA   TRP  18           HA       TRP  18   6.449   3.919  -5.664
  153   1HB   TRP  18          1HB       TRP  18   6.011   4.316  -3.507
  154   2HB   TRP  18          2HB       TRP  18   4.650   3.213  -3.455
  155    HD1  TRP  18           HD1      TRP  18   8.368   2.246  -4.161
  156    HE1  TRP  18           HE1      TRP  18   9.208   0.460  -2.410
  157    HE3  TRP  18           HE3      TRP  18   4.125   2.226  -1.359
  158    HZ2  TRP  18           HZ2      TRP  18   8.031  -0.735  -0.101
  159    HZ3  TRP  18           HZ3      TRP  18   4.053   0.721   0.627
  160    HH2  TRP  18           HH2      TRP  18   5.915  -0.726   1.272
  161    H    SER  19           H        SER  19   4.263   1.059  -5.560
  162    HA   SER  19           HA       SER  19   6.333  -0.818  -5.603
  163   1HB   SER  19          1HB       SER  19   3.869  -1.164  -4.960
  164   2HB   SER  19          2HB       SER  19   3.509  -1.206  -6.675
  165    HG   SER  19           HG       SER  19   5.106  -2.991  -6.838
  166    H    ASP  20           H        ASP  20   4.880   1.254  -8.025
  167    HA   ASP  20           HA       ASP  20   5.585  -0.419 -10.212
  168   1HB   ASP  20          1HB       ASP  20   3.751   0.991 -10.670
  169   2HB   ASP  20          2HB       ASP  20   4.466   2.362  -9.847
  170    HD2  ASP  20           HD2      ASP  20   5.079   1.627 -13.685
  171    H    VAL  21           H        VAL  21   6.808   2.530  -8.521
  172    HA   VAL  21           HA       VAL  21   8.884   3.068 -10.355
  173    HB   VAL  21           HB       VAL  21   8.239   3.879  -7.532
  174   1HG1  VAL  21          1HG1      VAL  21  10.147   5.606  -7.930
  175   2HG1  VAL  21          2HG1      VAL  21  10.561   3.967  -7.374
  176   3HG1  VAL  21          3HG1      VAL  21  10.766   4.404  -9.087
  177   1HG2  VAL  21          1HG2      VAL  21   8.031   5.092 -10.264
  178   2HG2  VAL  21          2HG2      VAL  21   6.868   5.100  -8.918
  179   3HG2  VAL  21          3HG2      VAL  21   8.292   6.166  -8.869
  180    H    GLY  22           H        GLY  22   8.419   0.707  -7.815
  181   1HA   GLY  22          1HA       GLY  22  11.306   0.182  -7.650
  182   2HA   GLY  22          2HA       GLY  22  10.062  -0.423  -6.574
  183    H    LEU  23           H        LEU  23   9.975  -0.379 -10.184
  184    HA   LEU  23           HA       LEU  23  10.839  -2.975 -10.601
  185   1HB   LEU  23          1HB       LEU  23   8.415  -3.007  -9.268
  186   2HB   LEU  23          2HB       LEU  23   7.951  -3.210 -10.945
  187    HG   LEU  23           HG       LEU  23  10.066  -4.923  -9.626
  188   1HD1  LEU  23          1HD1      LEU  23   7.216  -5.816  -9.999
  189   2HD1  LEU  23          2HD1      LEU  23   8.496  -6.508  -8.973
  190   3HD1  LEU  23          3HD1      LEU  23   7.729  -4.967  -8.521
  191   1HD2  LEU  23          1HD2      LEU  23   8.530  -6.140 -11.756
  192   2HD2  LEU  23          2HD2      LEU  23   9.285  -4.622 -12.298
  193   3HD2  LEU  23          3HD2      LEU  23  10.289  -5.915 -11.599
  194    H    CYS  24           H        CYS  24  11.109  -0.358 -11.720
  195    HA   CYS  24           HA       CYS  24   9.630  -0.647 -14.226
  196   1HB   CYS  24          1HB       CYS  24  10.179   1.730 -14.624
  197   2HB   CYS  24          2HB       CYS  24   9.246   1.495 -13.158
  198    HG   CYS  24           HG       CYS  24  10.866   3.243 -12.414
  199    H    LYS  25           H        LYS  25  12.727  -0.862 -12.605
  200    HA   LYS  25           HA       LYS  25  14.074  -0.983 -15.212
  201   1HB   LYS  25          1HB       LYS  25  14.691   0.544 -12.941
  202   2HB   LYS  25          2HB       LYS  25  15.845  -0.775 -12.915
  203   1HG   LYS  25          1HG       LYS  25  16.994   0.622 -14.349
  204   2HG   LYS  25          2HG       LYS  25  16.010  -0.197 -15.547
  205   1HD   LYS  25          1HD       LYS  25  14.288   1.809 -14.774
  206   2HD   LYS  25          2HD       LYS  25  15.830   2.608 -14.541
  207   1HE   LYS  25          1HE       LYS  25  16.439   1.748 -16.930
  208   2HE   LYS  25          2HE       LYS  25  14.732   1.391 -17.107
  209   1HZ   LYS  25          1HZ       LYS  25  15.261   3.631 -17.902
  210   2HZ   LYS  25          2HZ       LYS  25  14.250   3.735 -16.630
  211    H    LYS  26           H        LYS  26  12.878  -2.756 -12.511
  212    HA   LYS  26           HA       LYS  26  14.830  -4.875 -12.803
  213   1HB   LYS  26          1HB       LYS  26  13.474  -3.930 -10.649
  214   2HB   LYS  26          2HB       LYS  26  12.423  -5.253 -11.111
  215   1HG   LYS  26          1HG       LYS  26  14.668  -6.643 -11.292
  216   2HG   LYS  26          2HG       LYS  26  15.348  -5.359 -10.311
  217   1HD   LYS  26          1HD       LYS  26  14.223  -6.023  -8.425
  218   2HD   LYS  26          2HD       LYS  26  12.740  -6.348  -9.299
  219   1HE   LYS  26          1HE       LYS  26  13.371  -8.553  -9.841
  220   2HE   LYS  26          2HE       LYS  26  15.085  -8.205  -9.729
  221   1HZ   LYS  26          1HZ       LYS  26  13.221  -8.849  -7.583
  222   2HZ   LYS  26          2HZ       LYS  26  14.796  -9.238  -7.725
  223    H    ARG  27           H        ARG  27  11.823  -3.842 -14.178
  224    HA   ARG  27           HA       ARG  27  10.891  -6.444 -14.765
  225   1HB   ARG  27          1HB       ARG  27   9.762  -3.917 -14.754
  226   2HB   ARG  27          2HB       ARG  27   9.972  -4.171 -16.475
  227   1HG   ARG  27          1HG       ARG  27   8.354  -5.794 -16.566
  228   2HG   ARG  27          2HG       ARG  27   8.877  -6.543 -15.071
  229   1HD   ARG  27          1HD       ARG  27   7.007  -5.646 -14.124
  230   2HD   ARG  27          2HD       ARG  27   7.838  -4.104 -14.185
  231    HE   ARG  27           HE       ARG  27   6.449  -4.857 -16.676
  232   1HH1  ARG  27          1HH1      ARG  27   6.240  -3.103 -13.605
  233   2HH1  ARG  27          2HH1      ARG  27   4.944  -2.082 -14.133
  234   1HH2  ARG  27          1HH2      ARG  27   4.077  -2.340 -16.352
  235    HA   PRO  28           HA       PRO  28  13.139  -7.038 -18.456
  236   1HB   PRO  28          1HB       PRO  28  11.582  -8.880 -19.742
  237   2HB   PRO  28          2HB       PRO  28  12.697  -9.298 -18.457
  238   1HG   PRO  28          1HG       PRO  28   9.748  -9.105 -18.365
  239   2HG   PRO  28          2HG       PRO  28  10.830  -9.914 -17.249
  240   1HD   PRO  28          1HD       PRO  28   9.519  -7.395 -16.846
  241   2HD   PRO  28          2HD       PRO  28  10.691  -8.149 -15.783
  242    H    LYS  29           H        LYS  29  13.422  -5.309 -19.732
  243    HA   LYS  29           HA       LYS  29  11.074  -4.271 -21.042
  244   1HB   LYS  29          1HB       LYS  29  13.570  -3.243 -20.167
  245   2HB   LYS  29          2HB       LYS  29  13.539  -3.059 -21.910
  246   1HG   LYS  29          1HG       LYS  29  10.993  -2.253 -21.340
  247   2HG   LYS  29          2HG       LYS  29  11.772  -1.809 -19.834
  248   1HD   LYS  29          1HD       LYS  29  13.345  -0.359 -20.948
  249   2HD   LYS  29          2HD       LYS  29  12.962  -1.024 -22.524
  250   1HE   LYS  29          1HE       LYS  29  10.945   0.491 -20.801
  251   2HE   LYS  29          2HE       LYS  29  11.920   1.253 -22.042
  252   1HZ   LYS  29          1HZ       LYS  29  10.008  -0.973 -22.517
  253   2HZ   LYS  29          2HZ       LYS  29   9.759   0.583 -22.923
  254    HA   PRO  30           HA       PRO  30  11.710  -6.172 -24.864
  255   1HB   PRO  30          1HB       PRO  30  10.985  -4.264 -26.681
  256   2HB   PRO  30          2HB       PRO  30   9.824  -5.218 -25.778
  257   1HG   PRO  30          1HG       PRO  30  10.603  -2.393 -25.387
  258   2HG   PRO  30          2HG       PRO  30   9.180  -3.231 -24.802
  259   1HD   PRO  30          1HD       PRO  30  11.507  -2.530 -23.278
  260   2HD   PRO  30          2HD       PRO  30  10.135  -3.468 -22.723
  Start of MODEL   22
    1   1H    MET   1           H1       MET   1 -20.362   5.996  -3.179
    2    HA   MET   1           HA       MET   1 -20.119   4.056  -1.674
    3   1HB   MET   1          1HB       MET   1 -22.025   4.522  -3.854
    4   2HB   MET   1          2HB       MET   1 -21.890   2.800  -3.555
    5   1HG   MET   1          1HG       MET   1 -22.737   2.962  -1.378
    6   2HG   MET   1          2HG       MET   1 -22.145   4.595  -1.148
    7   1HE   MET   1          1HE       MET   1 -26.054   4.087  -0.893
    8   2HE   MET   1          2HE       MET   1 -24.490   3.854  -0.076
    9   3HE   MET   1          3HE       MET   1 -25.125   5.497  -0.332
   10    H    VAL   2           H        VAL   2 -18.074   2.973  -1.765
   11    HA   VAL   2           HA       VAL   2 -18.059   0.765  -3.695
   12    HB   VAL   2           HB       VAL   2 -15.522   1.065  -3.657
   13   1HG1  VAL   2          1HG1      VAL   2 -15.729   1.960  -5.709
   14   2HG1  VAL   2          2HG1      VAL   2 -17.478   1.948  -5.382
   15   3HG1  VAL   2          3HG1      VAL   2 -16.528   3.426  -5.095
   16   1HG2  VAL   2          1HG2      VAL   2 -15.737   2.795  -1.733
   17   2HG2  VAL   2          2HG2      VAL   2 -14.562   3.102  -3.035
   18   3HG2  VAL   2          3HG2      VAL   2 -16.126   3.952  -3.028
   19    H    LYS   3           H        LYS   3 -16.340  -0.949  -2.896
   20    HA   LYS   3           HA       LYS   3 -17.002  -1.409  -0.103
   21   1HB   LYS   3          1HB       LYS   3 -16.188  -3.709  -0.579
   22   2HB   LYS   3          2HB       LYS   3 -17.528  -3.211  -1.593
   23   1HG   LYS   3          1HG       LYS   3 -16.293  -3.430  -3.489
   24   2HG   LYS   3          2HG       LYS   3 -14.989  -2.459  -2.834
   25   1HD   LYS   3          1HD       LYS   3 -14.565  -4.711  -1.385
   26   2HD   LYS   3          2HD       LYS   3 -15.358  -5.444  -2.766
   27   1HE   LYS   3          1HE       LYS   3 -13.423  -5.312  -3.939
   28   2HE   LYS   3          2HE       LYS   3 -13.482  -3.563  -3.833
   29   1HZ   LYS   3          1HZ       LYS   3 -12.599  -4.430  -1.356
   30   2HZ   LYS   3          2HZ       LYS   3 -11.776  -5.343  -2.426
   31    H    SER   4           H        SER   4 -14.392  -0.326  -2.151
   32    HA   SER   4           HA       SER   4 -12.315  -1.161  -0.444
   33   1HB   SER   4          1HB       SER   4 -12.308   1.098  -2.492
   34   2HB   SER   4          2HB       SER   4 -10.895   0.299  -1.831
   35    HG   SER   4           HG       SER   4 -12.673  -0.554  -3.837
   36    H    LYS   5           H        LYS   5 -14.589   1.526  -0.523
   37    HA   LYS   5           HA       LYS   5 -15.036   3.002   1.097
   38   1HB   LYS   5          1HB       LYS   5 -13.754   1.338   2.626
   39   2HB   LYS   5          2HB       LYS   5 -12.417   2.461   2.490
   40   1HG   LYS   5          1HG       LYS   5 -13.553   4.182   3.616
   41   2HG   LYS   5          2HG       LYS   5 -15.136   3.581   3.164
   42   1HD   LYS   5          1HD       LYS   5 -14.934   1.701   4.740
   43   2HD   LYS   5          2HD       LYS   5 -13.276   2.134   5.107
   44   1HE   LYS   5          1HE       LYS   5 -14.805   4.503   5.548
   45   2HE   LYS   5          2HE       LYS   5 -15.743   3.198   6.248
   46   1HZ   LYS   5          1HZ       LYS   5 -13.020   4.058   6.966
   47   2HZ   LYS   5          2HZ       LYS   5 -14.278   3.743   7.952
   48    H    ILE   6           H        ILE   6 -12.924   3.016  -1.329
   49    HA   ILE   6           HA       ILE   6 -11.964   4.627  -2.499
   50    HB   ILE   6           HB       ILE   6 -13.156   6.473  -0.426
   51   1HG1  ILE   6          1HG1      ILE   6 -14.719   5.022  -1.807
   52   2HG1  ILE   6          2HG1      ILE   6 -14.991   6.752  -1.866
   53   1HG2  ILE   6          1HG2      ILE   6 -11.860   8.054  -1.304
   54   2HG2  ILE   6          2HG2      ILE   6 -11.303   6.984  -2.613
   55   3HG2  ILE   6          3HG2      ILE   6 -12.824   7.890  -2.791
   56   1HD1  ILE   6          1HD1      ILE   6 -14.991   5.434  -4.117
   57   2HD1  ILE   6          2HD1      ILE   6 -14.075   6.958  -4.048
   58   3HD1  ILE   6          3HD1      ILE   6 -13.221   5.401  -3.930
   59    H    GLY   7           H        GLY   7 -11.570   5.426   1.028
   60   1HA   GLY   7          1HA       GLY   7  -9.013   6.462   0.891
   61   2HA   GLY   7          2HA       GLY   7  -9.720   5.662   2.281
   62    H    SER   8           H        SER   8 -10.104   3.171   0.372
   63    HA   SER   8           HA       SER   8  -7.502   2.113   1.018
   64   1HB   SER   8          1HB       SER   8  -9.705   0.941   1.592
   65   2HB   SER   8          2HB       SER   8  -9.914   0.640  -0.122
   66    HG   SER   8           HG       SER   8  -8.491  -0.811   1.642
   67    H    TRP   9           H        TRP   9  -9.392   3.267  -1.699
   68    HA   TRP   9           HA       TRP   9  -7.917   1.799  -3.678
   69   1HB   TRP   9          1HB       TRP   9  -9.600   2.363  -4.987
   70   2HB   TRP   9          2HB       TRP   9 -10.364   3.090  -3.588
   71    HD1  TRP   9           HD1      TRP   9 -11.047   5.572  -4.004
   72    HE1  TRP   9           HE1      TRP   9 -10.324   7.600  -5.528
   73    HE3  TRP   9           HE3      TRP   9  -7.136   3.193  -6.219
   74    HZ2  TRP   9           HZ2      TRP   9  -8.245   7.975  -7.447
   75    HZ3  TRP   9           HZ3      TRP   9  -5.811   4.462  -7.907
   76    HH2  TRP   9           HH2      TRP   9  -6.311   6.772  -8.530
   77    H    ILE  10           H        ILE  10  -8.022   5.115  -2.250
   78    HA   ILE  10           HA       ILE  10  -6.187   6.305  -3.947
   79    HB   ILE  10           HB       ILE  10  -7.722   7.352  -2.237
   80   1HG1  ILE  10          1HG1      ILE  10  -5.855   9.123  -1.646
   81   2HG1  ILE  10          2HG1      ILE  10  -4.880   8.171  -2.748
   82   1HG2  ILE  10          1HG2      ILE  10  -6.793   7.742   0.009
   83   2HG2  ILE  10          2HG2      ILE  10  -7.120   6.019  -0.298
   84   3HG2  ILE  10          3HG2      ILE  10  -5.450   6.634  -0.363
   85   1HD1  ILE  10          1HD1      ILE  10  -5.876   9.213  -4.491
   86   2HD1  ILE  10          2HD1      ILE  10  -7.431   8.496  -4.005
   87   3HD1  ILE  10          3HD1      ILE  10  -6.950  10.090  -3.374
   88    H    LEU  11           H        LEU  11  -5.704   4.421  -0.902
   89    HA   LEU  11           HA       LEU  11  -2.937   4.795  -0.796
   90   1HB   LEU  11          1HB       LEU  11  -4.960   3.063   0.468
   91   2HB   LEU  11          2HB       LEU  11  -3.338   2.402   0.431
   92    HG   LEU  11           HG       LEU  11  -3.717   3.553   2.519
   93   1HD1  LEU  11          1HD1      LEU  11  -1.903   5.419   1.017
   94   2HD1  LEU  11          2HD1      LEU  11  -1.724   4.725   2.646
   95   3HD1  LEU  11          3HD1      LEU  11  -1.479   3.702   1.209
   96   1HD2  LEU  11          1HD2      LEU  11  -4.753   5.521   2.782
   97   2HD2  LEU  11          2HD2      LEU  11  -3.879   6.280   1.430
   98   3HD2  LEU  11          3HD2      LEU  11  -5.311   5.271   1.111
   99    H    VAL  12           H        VAL  12  -4.957   2.138  -2.212
  100    HA   VAL  12           HA       VAL  12  -2.911   0.530  -3.074
  101    HB   VAL  12           HB       VAL  12  -5.702   1.099  -3.996
  102   1HG1  VAL  12          1HG1      VAL  12  -5.334  -0.990  -5.522
  103   2HG1  VAL  12          2HG1      VAL  12  -4.863   0.623  -6.110
  104   3HG1  VAL  12          3HG1      VAL  12  -3.625  -0.492  -5.486
  105   1HG2  VAL  12          1HG2      VAL  12  -4.280  -1.302  -2.803
  106   2HG2  VAL  12          2HG2      VAL  12  -5.481  -0.248  -2.018
  107   3HG2  VAL  12          3HG2      VAL  12  -5.971  -1.315  -3.355
  108    H    LEU  13           H        LEU  13  -3.882   3.713  -4.188
  109    HA   LEU  13           HA       LEU  13  -2.600   3.430  -6.743
  110   1HB   LEU  13          1HB       LEU  13  -4.021   5.052  -7.179
  111   2HB   LEU  13          2HB       LEU  13  -4.432   5.215  -5.484
  112    HG   LEU  13           HG       LEU  13  -2.453   6.739  -5.211
  113   1HD1  LEU  13          1HD1      LEU  13  -1.121   7.432  -6.933
  114   2HD1  LEU  13          2HD1      LEU  13  -1.463   5.767  -7.464
  115   3HD1  LEU  13          3HD1      LEU  13  -2.364   7.129  -8.171
  116   1HD2  LEU  13          1HD2      LEU  13  -4.495   7.843  -5.288
  117   2HD2  LEU  13          2HD2      LEU  13  -3.558   8.641  -6.575
  118   3HD2  LEU  13          3HD2      LEU  13  -4.780   7.416  -6.993
  119    H    PHE  14           H        PHE  14  -1.961   5.235  -3.658
  120    HA   PHE  14           HA       PHE  14   0.513   6.226  -4.475
  121   1HB   PHE  14          1HB       PHE  14  -0.568   5.429  -1.704
  122   2HB   PHE  14          2HB       PHE  14   0.767   6.534  -1.965
  123    HD1  PHE  14           HD1      PHE  14  -1.997   6.925  -0.540
  124    HD2  PHE  14           HD2      PHE  14  -0.492   7.993  -4.360
  125    HE1  PHE  14           HE1      PHE  14  -3.608   8.847  -0.637
  126    HE2  PHE  14           HE2      PHE  14  -2.103   9.916  -4.458
  127    HZ   PHE  14           HZ       PHE  14  -3.642  10.319  -2.595
  128    H    VAL  15           H        VAL  15  -0.497   3.070  -3.200
  129    HA   VAL  15           HA       VAL  15   2.253   2.315  -2.669
  130    HB   VAL  15           HB       VAL  15   0.223   1.741  -1.236
  131   1HG1  VAL  15          1HG1      VAL  15  -1.320   0.168  -1.879
  132   2HG1  VAL  15          2HG1      VAL  15  -0.989   0.926  -3.455
  133   3HG1  VAL  15          3HG1      VAL  15  -0.210  -0.617  -3.028
  134   1HG2  VAL  15          1HG2      VAL  15   2.596   0.272  -1.878
  135   2HG2  VAL  15          2HG2      VAL  15   1.714   0.352  -0.335
  136   3HG2  VAL  15          3HG2      VAL  15   1.287  -0.885  -1.541
  137    H    ALA  16           H        ALA  16   0.032   2.429  -5.294
  138    HA   ALA  16           HA       ALA  16   1.065   0.082  -6.609
  139   1HB   ALA  16          1HB       ALA  16  -1.020   2.180  -7.115
  140   2HB   ALA  16          2HB       ALA  16  -0.357   1.304  -8.516
  141   3HB   ALA  16          3HB       ALA  16  -1.144   0.406  -7.195
  142    H    MET  17           H        MET  17   1.555   3.620  -6.564
  143    HA   MET  17           HA       MET  17   3.126   3.601  -8.918
  144   1HB   MET  17          1HB       MET  17   1.791   5.532  -7.551
  145   2HB   MET  17          2HB       MET  17   3.356   5.754  -6.797
  146   1HG   MET  17          1HG       MET  17   3.751   7.137  -8.589
  147   2HG   MET  17          2HG       MET  17   4.132   5.643  -9.422
  148   1HE   MET  17          1HE       MET  17   1.369   8.411  -8.808
  149   2HE   MET  17          2HE       MET  17   2.696   8.724  -9.952
  150   3HE   MET  17          3HE       MET  17   1.024   8.580 -10.546
  151    H    TRP  18           H        TRP  18   3.752   3.489  -5.378
  152    HA   TRP  18           HA       TRP  18   6.550   3.820  -5.603
  153   1HB   TRP  18          1HB       TRP  18   5.983   4.290  -3.491
  154   2HB   TRP  18          2HB       TRP  18   4.581   3.238  -3.507
  155    HD1  TRP  18           HD1      TRP  18   8.306   2.133  -3.919
  156    HE1  TRP  18           HE1      TRP  18   8.955   0.361  -2.075
  157    HE3  TRP  18           HE3      TRP  18   3.868   2.308  -1.444
  158    HZ2  TRP  18           HZ2      TRP  18   7.569  -0.746   0.162
  159    HZ3  TRP  18           HZ3      TRP  18   3.598   0.850   0.560
  160    HH2  TRP  18           HH2      TRP  18   5.359  -0.639   1.371
  161    H    SER  19           H        SER  19   4.254   1.064  -5.681
  162    HA   SER  19           HA       SER  19   6.160  -0.933  -5.422
  163   1HB   SER  19          1HB       SER  19   3.333  -0.740  -6.400
  164   2HB   SER  19          2HB       SER  19   4.228  -2.167  -6.886
  165    HG   SER  19           HG       SER  19   3.898  -2.952  -4.933
  166    H    ASP  20           H        ASP  20   5.364   1.242  -8.037
  167    HA   ASP  20           HA       ASP  20   6.357  -0.496 -10.068
  168   1HB   ASP  20          1HB       ASP  20   4.637   1.613 -10.097
  169   2HB   ASP  20          2HB       ASP  20   6.111   2.471 -10.496
  170    HD2  ASP  20           HD2      ASP  20   4.051  -0.045 -11.492
  171    H    VAL  21           H        VAL  21   7.387   2.384  -8.151
  172    HA   VAL  21           HA       VAL  21   9.802   2.798  -9.564
  173    HB   VAL  21           HB       VAL  21   9.137   3.608  -6.734
  174   1HG1  VAL  21          1HG1      VAL  21  10.773   5.217  -6.920
  175   2HG1  VAL  21          2HG1      VAL  21  11.478   3.929  -7.926
  176   3HG1  VAL  21          3HG1      VAL  21  10.646   5.303  -8.693
  177   1HG2  VAL  21          1HG2      VAL  21   7.338   4.658  -7.568
  178   2HG2  VAL  21          2HG2      VAL  21   8.495   5.770  -8.339
  179   3HG2  VAL  21          3HG2      VAL  21   7.850   4.385  -9.252
  180    H    GLY  22           H        GLY  22   8.729   0.546  -7.097
  181   1HA   GLY  22          1HA       GLY  22  11.517  -0.166  -6.462
  182   2HA   GLY  22          2HA       GLY  22  10.095  -0.579  -5.525
  183    H    LEU  23           H        LEU  23  10.810  -0.855  -9.080
  184    HA   LEU  23           HA       LEU  23  11.115  -3.659  -8.975
  185   1HB   LEU  23          1HB       LEU  23   8.613  -3.268  -8.532
  186   2HB   LEU  23          2HB       LEU  23   8.516  -2.796 -10.216
  187    HG   LEU  23           HG       LEU  23   9.713  -5.128 -10.610
  188   1HD1  LEU  23          1HD1      LEU  23  10.018  -5.593  -8.206
  189   2HD1  LEU  23          2HD1      LEU  23   8.250  -5.617  -8.000
  190   3HD1  LEU  23          3HD1      LEU  23   9.043  -6.837  -9.026
  191   1HD2  LEU  23          1HD2      LEU  23   7.225  -6.110 -10.428
  192   2HD2  LEU  23          2HD2      LEU  23   6.855  -4.373 -10.298
  193   3HD2  LEU  23          3HD2      LEU  23   7.739  -4.992 -11.714
  194    H    CYS  24           H        CYS  24   9.837  -0.961 -11.047
  195    HA   CYS  24           HA       CYS  24  11.474  -1.979 -13.215
  196   1HB   CYS  24          1HB       CYS  24   8.943  -0.905 -13.189
  197   2HB   CYS  24          2HB       CYS  24   9.903   0.479 -13.672
  198    HG   CYS  24           HG       CYS  24  11.377  -1.514 -15.243
  199    H    LYS  25           H        LYS  25  13.525  -1.434 -12.058
  200    HA   LYS  25           HA       LYS  25  14.556   1.018 -12.887
  201   1HB   LYS  25          1HB       LYS  25  13.081   1.855 -11.030
  202   2HB   LYS  25          2HB       LYS  25  14.049   0.931  -9.899
  203   1HG   LYS  25          1HG       LYS  25  15.842   2.440 -11.597
  204   2HG   LYS  25          2HG       LYS  25  14.605   3.530 -11.006
  205   1HD   LYS  25          1HD       LYS  25  15.216   3.244  -8.763
  206   2HD   LYS  25          2HD       LYS  25  15.842   1.628  -9.022
  207   1HE   LYS  25          1HE       LYS  25  17.897   2.415  -9.900
  208   2HE   LYS  25          2HE       LYS  25  17.231   3.973 -10.345
  209   1HZ   LYS  25          1HZ       LYS  25  17.078   4.530  -7.980
  210   2HZ   LYS  25          2HZ       LYS  25  17.650   3.069  -7.544
  211    H    LYS  26           H        LYS  26  14.645  -1.716 -10.559
  212    HA   LYS  26           HA       LYS  26  17.559  -1.723 -10.786
  213   1HB   LYS  26          1HB       LYS  26  15.685  -3.142  -8.870
  214   2HB   LYS  26          2HB       LYS  26  17.424  -3.349  -8.892
  215   1HG   LYS  26          1HG       LYS  26  17.421  -0.672  -8.764
  216   2HG   LYS  26          2HG       LYS  26  15.812  -0.915  -8.113
  217   1HD   LYS  26          1HD       LYS  26  17.161  -2.776  -6.642
  218   2HD   LYS  26          2HD       LYS  26  18.472  -1.648  -6.935
  219   1HE   LYS  26          1HE       LYS  26  16.994   0.225  -6.080
  220   2HE   LYS  26          2HE       LYS  26  15.763  -0.962  -5.696
  221   1HZ   LYS  26          1HZ       LYS  26  16.848  -1.117  -3.736
  222   2HZ   LYS  26          2HZ       LYS  26  17.989  -1.983  -4.510
  223    H    ARG  27           H        ARG  27  15.762  -4.666 -10.068
  224    HA   ARG  27           HA       ARG  27  15.279  -5.676 -12.499
  225   1HB   ARG  27          1HB       ARG  27  18.145  -5.426 -12.118
  226   2HB   ARG  27          2HB       ARG  27  17.745  -7.132 -12.161
  227   1HG   ARG  27          1HG       ARG  27  16.375  -6.644 -14.285
  228   2HG   ARG  27          2HG       ARG  27  17.078  -5.038 -14.276
  229   1HD   ARG  27          1HD       ARG  27  19.150  -7.095 -13.938
  230   2HD   ARG  27          2HD       ARG  27  18.217  -7.374 -15.395
  231    HE   ARG  27           HE       ARG  27  18.968  -4.574 -15.107
  232   1HH1  ARG  27          1HH1      ARG  27  20.140  -7.736 -16.192
  233   2HH1  ARG  27          2HH1      ARG  27  21.309  -7.068 -17.280
  234   1HH2  ARG  27          1HH2      ARG  27  21.511  -4.687 -17.471
  235    HA   PRO  28           HA       PRO  28  16.060  -9.087  -9.273
  236   1HB   PRO  28          1HB       PRO  28  17.399  -8.508  -6.962
  237   2HB   PRO  28          2HB       PRO  28  18.176  -9.198  -8.372
  238   1HG   PRO  28          1HG       PRO  28  18.301  -6.423  -7.360
  239   2HG   PRO  28          2HG       PRO  28  19.375  -7.231  -8.485
  240   1HD   PRO  28          1HD       PRO  28  17.334  -5.323  -9.130
  241   2HD   PRO  28          2HD       PRO  28  18.328  -6.216 -10.262
  242    H    LYS  29           H        LYS  29  14.568  -9.919  -7.830
  243    HA   LYS  29           HA       LYS  29  12.582  -8.037  -7.117
  244   1HB   LYS  29          1HB       LYS  29  12.797 -10.836  -7.413
  245   2HB   LYS  29          2HB       LYS  29  12.339 -10.573  -5.742
  246   1HG   LYS  29          1HG       LYS  29  10.480  -9.056  -6.516
  247   2HG   LYS  29          2HG       LYS  29  10.919  -9.394  -8.178
  248   1HD   LYS  29          1HD       LYS  29  10.540 -11.838  -6.535
  249   2HD   LYS  29          2HD       LYS  29   9.095 -10.857  -6.673
  250   1HE   LYS  29          1HE       LYS  29   8.756 -11.753  -8.729
  251   2HE   LYS  29          2HE       LYS  29  10.172 -10.887  -9.290
  252   1HZ   LYS  29          1HZ       LYS  29  10.512 -13.207  -9.710
  253   2HZ   LYS  29          2HZ       LYS  29  11.510 -12.834  -8.478
  254    HA   PRO  30           HA       PRO  30  14.316  -8.695  -2.777
  255   1HB   PRO  30          1HB       PRO  30  16.614 -10.126  -2.397
  256   2HB   PRO  30          2HB       PRO  30  15.013 -10.822  -2.237
  257   1HG   PRO  30          1HG       PRO  30  16.964 -11.149  -4.433
  258   2HG   PRO  30          2HG       PRO  30  15.573 -12.141  -4.044
  259   1HD   PRO  30          1HD       PRO  30  15.767 -10.209  -6.156
  260   2HD   PRO  30          2HD       PRO  30  14.341 -11.116  -5.694