*HEADER    DE NOVO PROTEIN                                     2RVD              
*TITLE     NMR STRUCTURE OF A MUTANT OF CHIGNOLIN, CLN025                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CLN025;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    BETA-HAIRPIN, MINI-PROTEIN, CHIGNOLIN, DE NOVO PROTEIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.KATO, M.ISHIMURA, S.HONDA                                           
*REVDAT   1   12-AUG-15 2RVD    0                                                


  9 TRP  H       9 TRP  HB2     3.75            #peak     2 #SUP  0.95  #QF  0.95
  9 TRP  HB2    10 TYR  H       4.66            #peak     6 #SUP  0.96  #QF  0.96
  8 THR  H       8 THR  HB      3.61            #peak     7 #SUP  0.97  #QF  0.97
  9 TRP  HB3     9 TRP  HD1     3.82            #peak    13 #SUP  0.95  #QF  0.95
  9 TRP  HB2     9 TRP  HD1     3.82            #peak    14 #SUP  0.95  #QF  0.95
  8 THR  H       8 THR  QG2     4.51            #peak    21 #SUP  0.96  #QF  0.96
  6 THR  QG2     7 GLY  H       4.75            #peak    23 #SUP  0.99  #QF  0.99
  8 THR  QG2    10 TYR  H       4.82            #peak    24 #SUP  0.69  #QF  0.69
  2 TYR  HB3     3 ASP  H       4.82            #peak    28 #SUP  0.80  #QF  0.80
  2 TYR  HB2     3 ASP  H       4.82            #peak    29 #SUP  0.79  #QF  0.79
  3 ASP  H       3 ASP  HB2     3.56            #peak    30 #SUP  0.82  #QF  0.82
  3 ASP  H       3 ASP  HB3     3.56            #peak    31 #SUP  0.88  #QF  0.88
  4 PRO  QD      5 GLU  H       3.66            #peak    59 #SUP  0.65  #QF  0.65
  2 TYR  QD      4 PRO  QB      4.26            #peak    61 #SUP  1.00  #QF  0.98
  2 TYR  QD      9 TRP  HE1     5.02            #peak    77 #SUP  0.94  #QF  0.94
  2 TYR  QE      9 TRP  HE1     4.68            #peak    78 #SUP  0.95  #QF  0.95
  2 TYR  QE      9 TRP  HZ3     5.50            #peak    83 #SUP  0.42  #QF  0.42
  1 TYR  HA      1 TYR  QD      3.81            #peak    93 #SUP  0.92  #QF  0.92
  8 THR  HB     10 TYR  QE      4.39            #peak   104 #SUP  0.69  #QF  0.69
  8 THR  QG2    10 TYR  QE      4.66            #peak   105 #SUP  0.83  #QF  0.83
  2 TYR  HA      2 TYR  QE      4.51            #peak   111 #SUP  0.80  #QF  0.80
 10 TYR  H      10 TYR  QD      3.74            #peak   116 #SUP  0.53  #QF  0.53
  9 TRP  H       9 TRP  HD1     4.74            #peak   117 #SUP  0.83  #QF  0.83
  7 GLY  H       8 THR  H       3.44            #peak   118 #SUP  0.58  #QF  0.45
  9 TRP  H       9 TRP  HE3     5.37            #peak   121 #SUP  0.98  #QF  0.98
  6 THR  H       7 GLY  H       2.82            #peak   124 #SUP  0.41  #QF  0.41
  5 GLU  H       6 THR  H       3.29            #peak   125 #SUP  0.88  #QF  0.88
  3 ASP  H      10 TYR  QD      4.97            #peak   127 #SUP  0.61  #QF  0.61
  2 TYR  QE      3 ASP  H       4.37            #peak   128 #SUP  0.82  #QF  0.82
  9 TRP  H       9 TRP  HB3     3.75            #peak   130 #SUP  0.59  #QF  0.59
  9 TRP  HB3    10 TYR  H       4.66            #peak   133 #SUP  0.68  #QF  0.68
  8 THR  HB      9 TRP  H       4.16            #peak   152 #SUP  0.98  #QF  0.98
  8 THR  HB     10 TYR  H       5.02            #peak   153 #SUP  0.40  #QF  0.40
  8 THR  HA     10 TYR  H       5.50            #peak   164 #SUP  0.58  #QF  0.58
  2 TYR  HA      3 ASP  H       3.13            #peak   166 #SUP  0.83  #QF  0.83
  8 THR  HA      9 TRP  H       2.94            #peak   168 #SUP  0.87  #QF  0.87
  2 TYR  QD      4 PRO  QG      4.85            #peak   180 #SUP  0.47  #QF  0.47
  2 TYR  QE      4 PRO  QB      3.22            #peak   182 #SUP  0.92  #QF  0.92
  2 TYR  HA      9 TRP  HA      4.10            #peak   192 #SUP  0.52  #QF  0.52
  6 THR  H       6 THR  QG2     4.06            #peak   229 #SUP  0.89  #QF  0.89
  8 THR  QG2     9 TRP  H       4.14            #peak   231 #SUP  0.85  #QF  0.85
  1 TYR  HA      1 TYR  QE      4.74            #peak    31 #SUP  0.83  #QF  0.83
 10 TYR  HA     10 TYR  QD      3.64            #peak    32 #SUP  0.88  #QF  0.88
 10 TYR  HA     10 TYR  QE      5.50            #peak    33 #SUP  0.98  #QF  0.98
  1 TYR  QE      3 ASP  HA      3.96            #peak    35 #SUP  0.67  #QF  0.67
  1 TYR  QD      3 ASP  HA      4.32            #peak    37 #SUP  0.78  #QF  0.78
  9 TRP  HA      9 TRP  HE3     3.93            #peak    40 #SUP  0.68  #QF  0.68
  9 TRP  HA      9 TRP  HD1     4.55            #peak    41 #SUP  0.81  #QF  0.81
  2 TYR  QE      4 PRO  QG      5.21            #peak    44 #SUP  0.85  #QF  0.67
  2 TYR  QD      4 PRO  HA      3.76            #peak    45 #SUP  0.85  #QF  0.85
  2 TYR  QE      4 PRO  HA      4.78            #peak    46 #SUP  0.89  #QF  0.89
  2 TYR  QD      4 PRO  QD      5.01            #peak    48 #SUP  0.47  #QF  0.47
  2 TYR  QE      9 TRP  HA      4.41            #peak    51 #SUP  0.84  #QF  0.84
  2 TYR  HA     10 TYR  QD      5.50            #peak    56 #SUP  0.54  #QF  0.54
  8 THR  HB     10 TYR  QD      4.93            #peak    57 #SUP  0.63  #QF  0.63
  6 THR  HB      8 THR  H       4.87            #peak    60 #SUP  0.29  #QF  0.29
  9 TRP  HA     10 TYR  QD      4.94            #peak    69 #SUP  0.73  #QF  0.73
  2 TYR  QE      9 TRP  HE3     4.82            #peak    77 #SUP  0.72  #QF  0.72
  2 TYR  QE      9 TRP  HD1     3.98            #peak    78 #SUP  0.81  #QF  0.81
  2 TYR  QD      9 TRP  HE3     4.45            #peak    80 #SUP  0.72  #QF  0.72
  5 GLU  HA      5 GLU  QG      4.00            #peak   104 #SUP  0.69  #QF  0.69
  3 ASP  HA      4 PRO  QD      3.25            #peak   118 #SUP  0.89  #QF  0.89
  1 TYR  QE      3 ASP  QB      4.73            #peak    98
  2 TYR  H       2 TYR  QB      3.68            #peak    34
  2 TYR  QB      4 PRO  QD      4.42            #peak   206
  2 TYR  QB      9 TRP  HE3     4.53            #peak    17
  2 TYR  QB      9 TRP  HZ3     4.27            #peak    86
  2 TYR  QD      9 TRP  QB      5.04            #peak    53
  3 ASP  H       3 ASP  QB      3.10            #peak    31
  3 ASP  QB      5 GLU  H       4.62            #peak   112
  3 ASP  QB      6 THR  HB      4.52            #peak    91
  3 ASP  QB      8 THR  H       3.61            #peak    15
  3 ASP  QB      8 THR  HB      4.33            #peak   205
  3 ASP  QB     10 TYR  QD      4.66            #peak   184
  3 ASP  QB     10 TYR  QE      3.76            #peak   103
  9 TRP  H       9 TRP  QB      3.04            #peak     2
  9 TRP  QB      9 TRP  HD1     3.33            #peak    14
  9 TRP  QB      9 TRP  HE3     3.44            #peak    19
  9 TRP  QB     10 TYR  H       4.03            #peak   133
 10 TYR  H      10 TYR  QB      3.54            #peak    57

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TYR   1           H        TYR   1   1.807   0.001   0.855
    2    HA   TYR   1           HA       TYR   1   1.965   0.966  -1.709
    3    HB2  TYR   1           2HB      TYR   1   3.960   0.634  -0.406
    4    HB3  TYR   1           3HB      TYR   1   3.694  -1.105  -0.348
    5    HD1  TYR   1           HD1      TYR   1   4.408   1.689  -2.697
    6    HD2  TYR   1           HD2      TYR   1   4.626  -2.499  -1.979
    7    HE1  TYR   1           HE1      TYR   1   5.777   1.420  -4.722
    8    HE2  TYR   1           HE2      TYR   1   5.998  -2.780  -4.002
    9    HH   TYR   1           HH       TYR   1   6.829  -1.786  -5.815
   10    H    TYR   2           H        TYR   2   0.674   0.300  -3.317
   11    HA   TYR   2           HA       TYR   2  -0.433  -2.197  -3.704
   12    HB2  TYR   2           2HB      TYR   2  -1.045  -0.095  -4.925
   13    HB3  TYR   2           3HB      TYR   2   0.393  -0.310  -5.916
   14    HD1  TYR   2           HD1      TYR   2  -2.510  -2.391  -4.791
   15    HD2  TYR   2           HD2      TYR   2   0.035  -1.224  -7.995
   16    HE1  TYR   2           HE1      TYR   2  -3.788  -3.830  -6.322
   17    HE2  TYR   2           HE2      TYR   2  -1.237  -2.659  -9.535
   18    HH   TYR   2           HH       TYR   2  -2.763  -4.889  -9.135
   19    H    ASP   3           H        ASP   3   0.100  -4.006  -4.917
   20    HA   ASP   3           HA       ASP   3   2.957  -4.248  -5.600
   21    HB2  ASP   3           2HB      ASP   3   2.115  -5.667  -3.694
   22    HB3  ASP   3           3HB      ASP   3   1.089  -6.503  -4.856
   23    HA   PRO   4           HA       PRO   4   0.538  -4.650  -9.544
   24    HB2  PRO   4           2HB      PRO   4   2.206  -3.080 -11.000
   25    HB3  PRO   4           3HB      PRO   4   0.860  -2.433 -10.054
   26    HG2  PRO   4           2HG      PRO   4   3.770  -2.562  -9.365
   27    HG3  PRO   4           3HG      PRO   4   2.621  -1.232  -9.126
   28    HD2  PRO   4           2HD      PRO   4   3.350  -2.905  -7.126
   29    HD3  PRO   4           3HD      PRO   4   1.735  -2.174  -7.219
   30    H    GLU   5           H        GLU   5   3.783  -5.209  -8.514
   31    HA   GLU   5           HA       GLU   5   4.907  -6.289 -10.840
   32    HB2  GLU   5           2HB      GLU   5   6.273  -5.753  -8.911
   33    HB3  GLU   5           3HB      GLU   5   5.432  -6.953  -7.940
   34    HG2  GLU   5           2HG      GLU   5   6.526  -8.707  -8.900
   35    HG3  GLU   5           3HG      GLU   5   6.785  -7.857 -10.422
   36    H    THR   6           H        THR   6   3.643  -8.122  -8.052
   37    HA   THR   6           HA       THR   6   3.427 -10.520  -9.632
   38    HB   THR   6           HB       THR   6   2.485  -9.972  -6.810
   39    HG1  THR   6           HG1      THR   6   4.778 -11.436  -7.631
   40   HG21  THR   6          3HG2      THR   6   2.202 -12.270  -8.582
   41   HG22  THR   6          1HG2      THR   6   1.394 -11.915  -7.057
   42   HG23  THR   6          2HG2      THR   6   2.987 -12.670  -7.055
   43    H    GLY   7           H        GLY   7   0.985  -8.876  -7.611
   44    HA2  GLY   7           2HA      GLY   7  -0.962  -8.137  -9.227
   45    HA3  GLY   7           3HA      GLY   7  -1.095  -9.880  -9.406
   46    H    THR   8           H        THR   8  -0.325  -8.038  -6.484
   47    HA   THR   8           HA       THR   8  -2.867  -8.968  -5.319
   48    HB   THR   8           HB       THR   8  -0.263  -8.760  -3.801
   49    HG1  THR   8           HG1      THR   8  -0.338 -11.085  -3.893
   50   HG21  THR   8          3HG2      THR   8  -3.053  -9.585  -3.122
   51   HG22  THR   8          1HG2      THR   8  -1.922  -8.592  -2.204
   52   HG23  THR   8          2HG2      THR   8  -1.699 -10.339  -2.282
   53    H    TRP   9           H        TRP   9  -4.088  -7.414  -4.470
   54    HA   TRP   9           HA       TRP   9  -3.280  -4.694  -4.549
   55    HB2  TRP   9           2HB      TRP   9  -5.697  -6.038  -4.418
   56    HB3  TRP   9           3HB      TRP   9  -5.593  -5.239  -2.851
   57    HD1  TRP   9           HD1      TRP   9  -6.987  -4.614  -6.089
   58    HE1  TRP   9           HE1      TRP   9  -7.250  -2.099  -6.572
   59    HE3  TRP   9           HE3      TRP   9  -3.950  -2.762  -2.418
   60    HZ2  TRP   9           HZ2      TRP   9  -6.295   0.346  -5.533
   61    HZ3  TRP   9           HZ3      TRP   9  -3.678  -0.324  -2.231
   62    HH2  TRP   9           HH2      TRP   9  -4.827   1.196  -3.757
   63    H    TYR  10           H        TYR  10  -1.576  -4.234  -3.228
   64    HA   TYR  10           HA       TYR  10  -1.908  -4.794  -0.357
   65    HB2  TYR  10           2HB      TYR  10   0.467  -4.657  -2.144
   66    HB3  TYR  10           3HB      TYR  10   0.669  -4.096  -0.488
   67    HD1  TYR  10           HD2      TYR  10   0.174  -5.681   1.402
   68    HD2  TYR  10           HD1      TYR  10   0.378  -6.964  -2.650
   69    HE1  TYR  10           HE2      TYR  10   0.457  -8.005   2.158
   70    HE2  TYR  10           HE1      TYR  10   0.661  -9.291  -1.905
   71    HH   TYR  10           HH       TYR  10   0.422 -10.173   1.496
  Start of MODEL    2
    1    H1   TYR   1           H        TYR   1   0.936   1.402   0.023
    2    HA   TYR   1           HA       TYR   1   2.057   1.153  -2.412
    3    HB2  TYR   1           2HB      TYR   1   3.172   0.693  -0.212
    4    HB3  TYR   1           3HB      TYR   1   2.449  -0.912  -0.239
    5    HD1  TYR   1           HD2      TYR   1   3.147  -2.550  -1.969
    6    HD2  TYR   1           HD1      TYR   1   5.092   1.208  -1.531
    7    HE1  TYR   1           HE2      TYR   1   5.052  -3.390  -3.279
    8    HE2  TYR   1           HE1      TYR   1   7.002   0.380  -2.840
    9    HH   TYR   1           HH       TYR   1   7.823  -1.303  -4.036
   10    H    TYR   2           H        TYR   2   1.324   0.252  -4.212
   11    HA   TYR   2           HA       TYR   2  -0.375  -2.108  -4.092
   12    HB2  TYR   2           2HB      TYR   2  -0.996  -0.193  -5.541
   13    HB3  TYR   2           3HB      TYR   2   0.466  -0.458  -6.485
   14    HD1  TYR   2           HD1      TYR   2  -2.350  -2.572  -5.209
   15    HD2  TYR   2           HD2      TYR   2   0.109  -1.487  -8.508
   16    HE1  TYR   2           HE1      TYR   2  -3.565  -4.169  -6.632
   17    HE2  TYR   2           HE2      TYR   2  -1.100  -3.080  -9.940
   18    HH   TYR   2           HH       TYR   2  -2.738  -4.567 -10.066
   19    H    ASP   3           H        ASP   3   0.055  -4.032  -5.222
   20    HA   ASP   3           HA       ASP   3   2.911  -4.470  -5.805
   21    HB2  ASP   3           2HB      ASP   3   0.874  -6.119  -4.397
   22    HB3  ASP   3           3HB      ASP   3   2.058  -6.971  -5.385
   23    HA   PRO   4           HA       PRO   4   0.560  -5.043  -9.770
   24    HB2  PRO   4           2HB      PRO   4   2.337  -3.667 -11.294
   25    HB3  PRO   4           3HB      PRO   4   1.005  -2.888 -10.432
   26    HG2  PRO   4           2HG      PRO   4   3.889  -3.107  -9.662
   27    HG3  PRO   4           3HG      PRO   4   2.804  -1.709  -9.549
   28    HD2  PRO   4           2HD      PRO   4   3.403  -3.263  -7.414
   29    HD3  PRO   4           3HD      PRO   4   1.830  -2.462  -7.601
   30    H    GLU   5           H        GLU   5   3.739  -5.696  -8.609
   31    HA   GLU   5           HA       GLU   5   4.771  -7.057 -10.868
   32    HB2  GLU   5           2HB      GLU   5   5.450  -7.132  -7.934
   33    HB3  GLU   5           3HB      GLU   5   6.290  -8.136  -9.108
   34    HG2  GLU   5           2HG      GLU   5   7.611  -6.206  -8.762
   35    HG3  GLU   5           3HG      GLU   5   6.871  -6.049 -10.354
   36    H    THR   6           H        THR   6   2.636  -7.982  -8.286
   37    HA   THR   6           HA       THR   6   2.617 -10.747  -9.310
   38    HB   THR   6           HB       THR   6   1.405 -11.096  -6.971
   39    HG1  THR   6           HG1      THR   6   2.582  -9.714  -5.429
   40   HG21  THR   6          3HG2      THR   6   3.803 -11.793  -7.998
   41   HG22  THR   6          1HG2      THR   6   3.281 -12.209  -6.366
   42   HG23  THR   6          2HG2      THR   6   4.322 -10.810  -6.629
   43    H    GLY   7           H        GLY   7   0.405  -8.599  -7.500
   44    HA2  GLY   7           2HA      GLY   7  -1.577  -7.893  -8.967
   45    HA3  GLY   7           3HA      GLY   7  -1.789  -9.625  -9.178
   46    H    THR   8           H        THR   8  -1.235  -7.396  -6.447
   47    HA   THR   8           HA       THR   8  -3.736  -8.144  -5.232
   48    HB   THR   8           HB       THR   8  -1.349  -8.721  -3.519
   49    HG1  THR   8           HG1      THR   8  -1.839 -11.016  -4.220
   50   HG21  THR   8          3HG2      THR   8  -4.062  -8.677  -3.073
   51   HG22  THR   8          1HG2      THR   8  -2.872  -9.509  -2.072
   52   HG23  THR   8          2HG2      THR   8  -3.738 -10.391  -3.330
   53    H    TRP   9           H        TRP   9  -4.390  -6.716  -3.641
   54    HA   TRP   9           HA       TRP   9  -2.946  -4.211  -3.569
   55    HB2  TRP   9           2HB      TRP   9  -5.656  -5.140  -2.736
   56    HB3  TRP   9           3HB      TRP   9  -5.004  -3.692  -1.975
   57    HD1  TRP   9           HD1      TRP   9  -6.757  -4.844  -5.050
   58    HE1  TRP   9           HE1      TRP   9  -6.968  -2.905  -6.729
   59    HE3  TRP   9           HE3      TRP   9  -3.561  -1.514  -2.851
   60    HZ2  TRP   9           HZ2      TRP   9  -5.919  -0.307  -7.076
   61    HZ3  TRP   9           HZ3      TRP   9  -3.220   0.676  -3.921
   62    HH2  TRP   9           HH2      TRP   9  -4.375   1.264  -5.989
   63    H    TYR  10           H        TYR  10  -1.084  -5.111  -2.411
   64    HA   TYR  10           HA       TYR  10  -1.116  -6.233   0.112
   65    HB2  TYR  10           2HB      TYR  10   0.850  -4.594  -1.411
   66    HB3  TYR  10           3HB      TYR  10   1.143  -4.832   0.308
   67    HD1  TYR  10           HD2      TYR  10  -0.234  -7.136  -2.288
   68    HD2  TYR  10           HD1      TYR  10   2.878  -6.355   0.506
   69    HE1  TYR  10           HE2      TYR  10   0.741  -9.343  -2.765
   70    HE2  TYR  10           HE1      TYR  10   3.862  -8.559   0.035
   71    HH   TYR  10           HH       TYR  10   3.583 -10.517  -1.005
  Start of MODEL    3
    1    H1   TYR   1           H        TYR   1   0.839   0.449  -0.004
    2    HA   TYR   1           HA       TYR   1   2.072   1.542  -2.447
    3    HB2  TYR   1           2HB      TYR   1   3.791   1.213  -0.762
    4    HB3  TYR   1           3HB      TYR   1   3.247  -0.438  -0.486
    5    HD1  TYR   1           HD1      TYR   1   4.943   1.803  -2.871
    6    HD2  TYR   1           HD2      TYR   1   3.907  -2.218  -1.942
    7    HE1  TYR   1           HE1      TYR   1   6.507   1.008  -4.595
    8    HE2  TYR   1           HE2      TYR   1   5.468  -3.024  -3.663
    9    HH   TYR   1           HH       TYR   1   7.629  -0.838  -5.353
   10    H    TYR   2           H        TYR   2   1.145   0.659  -4.164
   11    HA   TYR   2           HA       TYR   2  -0.315  -1.785  -4.067
   12    HB2  TYR   2           2HB      TYR   2  -0.850   0.116  -5.596
   13    HB3  TYR   2           3HB      TYR   2   0.607  -0.258  -6.509
   14    HD1  TYR   2           HD2      TYR   2  -2.392  -2.079  -5.202
   15    HD2  TYR   2           HD1      TYR   2   0.307  -1.478  -8.436
   16    HE1  TYR   2           HE2      TYR   2  -3.661  -3.695  -6.554
   17    HE2  TYR   2           HE1      TYR   2  -0.955  -3.091  -9.798
   18    HH   TYR   2           HH       TYR   2  -4.012  -4.393  -8.739
   19    H    ASP   3           H        ASP   3   0.140  -3.757  -5.077
   20    HA   ASP   3           HA       ASP   3   3.003  -4.223  -5.596
   21    HB2  ASP   3           2HB      ASP   3   0.936  -5.810  -4.158
   22    HB3  ASP   3           3HB      ASP   3   2.144  -6.701  -5.081
   23    HA   PRO   4           HA       PRO   4   0.723  -4.964  -9.573
   24    HB2  PRO   4           2HB      PRO   4   2.532  -3.663 -11.124
   25    HB3  PRO   4           3HB      PRO   4   1.188  -2.842 -10.322
   26    HG2  PRO   4           2HG      PRO   4   4.057  -3.036  -9.490
   27    HG3  PRO   4           3HG      PRO   4   2.976  -1.631  -9.459
   28    HD2  PRO   4           2HD      PRO   4   3.531  -3.091  -7.248
   29    HD3  PRO   4           3HD      PRO   4   1.964  -2.295  -7.498
   30    H    GLU   5           H        GLU   5   3.940  -5.500  -8.394
   31    HA   GLU   5           HA       GLU   5   5.076  -6.917 -10.506
   32    HB2  GLU   5           2HB      GLU   5   5.449  -7.096  -7.524
   33    HB3  GLU   5           3HB      GLU   5   6.367  -8.106  -8.632
   34    HG2  GLU   5           2HG      GLU   5   6.370  -5.102  -8.489
   35    HG3  GLU   5           3HG      GLU   5   7.680  -6.195  -8.043
   36    H    THR   6           H        THR   6   2.915  -7.996  -7.934
   37    HA   THR   6           HA       THR   6   2.769 -10.638  -9.229
   38    HB   THR   6           HB       THR   6   1.874  -9.997  -6.419
   39    HG1  THR   6           HG1      THR   6   4.293  -9.840  -7.109
   40   HG21  THR   6          3HG2      THR   6   0.864 -11.997  -7.071
   41   HG22  THR   6          1HG2      THR   6   2.330 -12.534  -6.252
   42   HG23  THR   6          2HG2      THR   6   2.264 -12.508  -8.014
   43    H    GLY   7           H        GLY   7   0.929  -7.891  -8.077
   44    HA2  GLY   7           2HA      GLY   7  -1.120  -7.218  -9.054
   45    HA3  GLY   7           3HA      GLY   7  -1.377  -8.871  -9.593
   46    H    THR   8           H        THR   8  -0.964  -7.111  -6.518
   47    HA   THR   8           HA       THR   8  -3.490  -8.138  -5.555
   48    HB   THR   8           HB       THR   8  -1.114  -8.747  -3.826
   49    HG1  THR   8           HG1      THR   8  -0.790 -10.632  -4.835
   50   HG21  THR   8          3HG2      THR   8  -3.974  -9.651  -3.998
   51   HG22  THR   8          1HG2      THR   8  -3.130  -8.912  -2.638
   52   HG23  THR   8          2HG2      THR   8  -2.768 -10.574  -3.103
   53    H    TRP   9           H        TRP   9  -4.313  -6.980  -3.816
   54    HA   TRP   9           HA       TRP   9  -3.027  -4.413  -3.359
   55    HB2  TRP   9           2HB      TRP   9  -5.761  -5.530  -2.833
   56    HB3  TRP   9           3HB      TRP   9  -5.234  -4.067  -2.005
   57    HD1  TRP   9           HD1      TRP   9  -6.632  -5.269  -5.259
   58    HE1  TRP   9           HE1      TRP   9  -6.846  -3.299  -6.901
   59    HE3  TRP   9           HE3      TRP   9  -3.944  -1.768  -2.679
   60    HZ2  TRP   9           HZ2      TRP   9  -5.988  -0.615  -7.079
   61    HZ3  TRP   9           HZ3      TRP   9  -3.687   0.476  -3.655
   62    HH2  TRP   9           HH2      TRP   9  -4.689   1.038  -5.810
   63    H    TYR  10           H        TYR  10  -1.283  -5.024  -2.035
   64    HA   TYR  10           HA       TYR  10  -1.654  -6.483   0.390
   65    HB2  TYR  10           2HB      TYR  10   0.594  -5.044  -0.924
   66    HB3  TYR  10           3HB      TYR  10   0.712  -5.313   0.811
   67    HD1  TYR  10           HD2      TYR  10   0.379  -7.005  -2.460
   68    HD2  TYR  10           HD1      TYR  10   1.220  -7.460   1.686
   69    HE1  TYR  10           HE2      TYR  10   1.166  -9.298  -2.877
   70    HE2  TYR  10           HE1      TYR  10   2.009  -9.754   1.280
   71    HH   TYR  10           HH       TYR  10   1.600 -11.556  -0.485
  Start of MODEL    4
    1    H1   TYR   1           H        TYR   1   0.111   0.680   0.248
    2    HA   TYR   1           HA       TYR   1   1.722   1.086  -2.115
    3    HB2  TYR   1           2HB      TYR   1   2.535   0.151   0.130
    4    HB3  TYR   1           3HB      TYR   1   1.758  -1.354  -0.347
    5    HD1  TYR   1           HD1      TYR   1   2.653  -2.695  -2.172
    6    HD2  TYR   1           HD2      TYR   1   4.545   0.927  -0.985
    7    HE1  TYR   1           HE1      TYR   1   4.660  -3.335  -3.441
    8    HE2  TYR   1           HE2      TYR   1   6.557   0.297  -2.251
    9    HH   TYR   1           HH       TYR   1   6.641  -2.630  -4.233
   10    H    TYR   2           H        TYR   2   1.899  -0.381  -3.857
   11    HA   TYR   2           HA       TYR   2  -0.381  -2.211  -4.191
   12    HB2  TYR   2           2HB      TYR   2  -0.766  -0.121  -5.461
   13    HB3  TYR   2           3HB      TYR   2   0.744  -0.385  -6.326
   14    HD1  TYR   2           HD2      TYR   2  -2.222  -2.506  -5.473
   15    HD2  TYR   2           HD1      TYR   2   0.408  -1.072  -8.494
   16    HE1  TYR   2           HE2      TYR   2  -3.423  -3.849  -7.147
   17    HE2  TYR   2           HE1      TYR   2  -0.787  -2.410 -10.177
   18    HH   TYR   2           HH       TYR   2  -2.222  -4.303 -10.345
   19    H    ASP   3           H        ASP   3  -0.022  -4.010  -5.565
   20    HA   ASP   3           HA       ASP   3   2.831  -4.639  -5.953
   21    HB2  ASP   3           2HB      ASP   3   0.533  -6.255  -4.972
   22    HB3  ASP   3           3HB      ASP   3   1.738  -7.080  -5.956
   23    HA   PRO   4           HA       PRO   4   0.837  -4.469 -10.147
   24    HB2  PRO   4           2HB      PRO   4   2.853  -3.069 -11.308
   25    HB3  PRO   4           3HB      PRO   4   1.507  -2.295 -10.464
   26    HG2  PRO   4           2HG      PRO   4   4.278  -2.868  -9.486
   27    HG3  PRO   4           3HG      PRO   4   3.297  -1.406  -9.275
   28    HD2  PRO   4           2HD      PRO   4   3.566  -3.273  -7.333
   29    HD3  PRO   4           3HD      PRO   4   2.084  -2.318  -7.541
   30    H    GLU   5           H        GLU   5   3.827  -5.551  -8.819
   31    HA   GLU   5           HA       GLU   5   4.901  -6.729 -11.183
   32    HB2  GLU   5           2HB      GLU   5   6.054  -6.117  -8.907
   33    HB3  GLU   5           3HB      GLU   5   5.554  -7.737  -8.440
   34    HG2  GLU   5           2HG      GLU   5   7.741  -7.973  -9.223
   35    HG3  GLU   5           3HG      GLU   5   6.720  -8.545 -10.541
   36    H    THR   6           H        THR   6   3.018  -7.964  -8.447
   37    HA   THR   6           HA       THR   6   2.661 -10.499  -9.899
   38    HB   THR   6           HB       THR   6   1.984 -10.041  -6.998
   39    HG1  THR   6           HG1      THR   6   4.424 -11.091  -8.033
   40   HG21  THR   6          3HG2      THR   6   2.845 -12.628  -8.219
   41   HG22  THR   6          1HG2      THR   6   1.193 -12.063  -8.466
   42   HG23  THR   6          2HG2      THR   6   1.797 -12.336  -6.831
   43    H    GLY   7           H        GLY   7   0.788  -8.426  -7.667
   44    HA2  GLY   7           2HA      GLY   7  -1.287  -7.475  -8.793
   45    HA3  GLY   7           3HA      GLY   7  -1.625  -9.150  -9.204
   46    H    THR   8           H        THR   8  -0.872  -7.147  -6.355
   47    HA   THR   8           HA       THR   8  -3.116  -8.391  -4.955
   48    HB   THR   8           HB       THR   8  -0.461  -8.148  -3.555
   49    HG1  THR   8           HG1      THR   8  -1.460 -10.605  -4.533
   50   HG21  THR   8          3HG2      THR   8  -1.874  -8.516  -1.841
   51   HG22  THR   8          1HG2      THR   8  -1.858 -10.186  -2.405
   52   HG23  THR   8          2HG2      THR   8  -3.159  -9.102  -2.897
   53    H    TRP   9           H        TRP   9  -3.797  -7.207  -3.060
   54    HA   TRP   9           HA       TRP   9  -2.968  -4.381  -3.151
   55    HB2  TRP   9           2HB      TRP   9  -5.642  -5.675  -2.870
   56    HB3  TRP   9           3HB      TRP   9  -5.366  -4.147  -2.037
   57    HD1  TRP   9           HD1      TRP   9  -6.418  -5.486  -5.305
   58    HE1  TRP   9           HE1      TRP   9  -6.472  -3.621  -7.078
   59    HE3  TRP   9           HE3      TRP   9  -3.861  -1.868  -2.754
   60    HZ2  TRP   9           HZ2      TRP   9  -5.551  -0.967  -7.358
   61    HZ3  TRP   9           HZ3      TRP   9  -3.490   0.305  -3.845
   62    HH2  TRP   9           HH2      TRP   9  -4.318   0.745  -6.099
   63    H    TYR  10           H        TYR  10  -1.359  -4.614  -1.574
   64    HA   TYR  10           HA       TYR  10  -1.807  -5.830   0.949
   65    HB2  TYR  10           2HB      TYR  10   0.294  -3.976  -0.137
   66    HB3  TYR  10           3HB      TYR  10   0.268  -4.400   1.572
   67    HD1  TYR  10           HD1      TYR  10  -0.050  -6.194  -1.700
   68    HD2  TYR  10           HD2      TYR  10   1.698  -6.094   2.178
   69    HE1  TYR  10           HE1      TYR  10   1.170  -8.269  -2.204
   70    HE2  TYR  10           HE2      TYR  10   2.924  -8.168   1.685
   71    HH   TYR  10           HH       TYR  10   3.238  -9.425  -1.421
  Start of MODEL    5
    1    H1   TYR   1           H        TYR   1   0.406   0.396   0.266
    2    HA   TYR   1           HA       TYR   1   1.947   1.116  -2.121
    3    HB2  TYR   1           2HB      TYR   1   3.113   0.318  -0.028
    4    HB3  TYR   1           3HB      TYR   1   2.375  -1.257  -0.300
    5    HD1  TYR   1           HD1      TYR   1   4.855   1.155  -1.531
    6    HD2  TYR   1           HD2      TYR   1   3.154  -2.708  -2.064
    7    HE1  TYR   1           HE1      TYR   1   6.718   0.547  -3.016
    8    HE2  TYR   1           HE2      TYR   1   5.014  -3.328  -3.550
    9    HH   TYR   1           HH       TYR   1   7.096  -2.728  -4.242
   10    H    TYR   2           H        TYR   2   1.715   0.088  -4.021
   11    HA   TYR   2           HA       TYR   2  -0.297  -2.053  -4.152
   12    HB2  TYR   2           2HB      TYR   2  -0.822   0.001  -5.422
   13    HB3  TYR   2           3HB      TYR   2   0.661  -0.205  -6.348
   14    HD1  TYR   2           HD2      TYR   2  -2.223  -2.386  -5.372
   15    HD2  TYR   2           HD1      TYR   2   0.315  -0.979  -8.484
   16    HE1  TYR   2           HE2      TYR   2  -3.434  -3.791  -6.988
   17    HE2  TYR   2           HE1      TYR   2  -0.890  -2.379 -10.108
   18    HH   TYR   2           HH       TYR   2  -2.921  -3.519 -10.407
   19    H    ASP   3           H        ASP   3   0.065  -3.862  -5.500
   20    HA   ASP   3           HA       ASP   3   2.915  -4.388  -6.035
   21    HB2  ASP   3           2HB      ASP   3   0.741  -6.071  -4.899
   22    HB3  ASP   3           3HB      ASP   3   1.921  -6.869  -5.935
   23    HA   PRO   4           HA       PRO   4   0.691  -4.378 -10.115
   24    HB2  PRO   4           2HB      PRO   4   2.584  -2.926 -11.410
   25    HB3  PRO   4           3HB      PRO   4   1.257  -2.186 -10.506
   26    HG2  PRO   4           2HG      PRO   4   4.097  -2.634  -9.674
   27    HG3  PRO   4           3HG      PRO   4   3.073  -1.206  -9.434
   28    HD2  PRO   4           2HD      PRO   4   3.520  -3.023  -7.477
   29    HD3  PRO   4           3HD      PRO   4   1.992  -2.130  -7.620
   30    H    GLU   5           H        GLU   5   3.786  -5.321  -8.934
   31    HA   GLU   5           HA       GLU   5   4.665  -6.581 -11.370
   32    HB2  GLU   5           2HB      GLU   5   6.115  -5.636  -9.435
   33    HB3  GLU   5           3HB      GLU   5   5.786  -7.174  -8.648
   34    HG2  GLU   5           2HG      GLU   5   6.847  -7.135 -11.435
   35    HG3  GLU   5           3HG      GLU   5   7.934  -6.865 -10.074
   36    H    THR   6           H        THR   6   3.075  -7.557  -8.395
   37    HA   THR   6           HA       THR   6   2.982 -10.334  -9.349
   38    HB   THR   6           HB       THR   6   2.314  -9.254  -6.604
   39    HG1  THR   6           HG1      THR   6   4.571 -10.796  -7.400
   40   HG21  THR   6          3HG2      THR   6   2.612 -11.770  -6.073
   41   HG22  THR   6          1HG2      THR   6   2.325 -12.006  -7.796
   42   HG23  THR   6          2HG2      THR   6   1.096 -11.232  -6.795
   43    H    GLY   7           H        GLY   7   0.779  -8.303  -7.410
   44    HA2  GLY   7           2HA      GLY   7  -1.335  -7.657  -8.666
   45    HA3  GLY   7           3HA      GLY   7  -1.442  -9.372  -9.034
   46    H    THR   8           H        THR   8  -0.914  -7.348  -6.143
   47    HA   THR   8           HA       THR   8  -3.223  -8.573  -4.869
   48    HB   THR   8           HB       THR   8  -0.669  -8.598  -3.299
   49    HG1  THR   8           HG1      THR   8  -1.607 -10.674  -5.017
   50   HG21  THR   8          3HG2      THR   8  -2.662 -10.719  -2.970
   51   HG22  THR   8          1HG2      THR   8  -3.279  -9.099  -2.646
   52   HG23  THR   8          2HG2      THR   8  -1.879  -9.703  -1.760
   53    H    TRP   9           H        TRP   9  -4.251  -7.192  -3.539
   54    HA   TRP   9           HA       TRP   9  -3.107  -4.531  -3.223
   55    HB2  TRP   9           2HB      TRP   9  -5.858  -5.691  -2.969
   56    HB3  TRP   9           3HB      TRP   9  -5.491  -4.151  -2.197
   57    HD1  TRP   9           HD1      TRP   9  -6.428  -5.633  -5.490
   58    HE1  TRP   9           HE1      TRP   9  -6.442  -3.809  -7.305
   59    HE3  TRP   9           HE3      TRP   9  -4.116  -1.886  -2.892
   60    HZ2  TRP   9           HZ2      TRP   9  -5.585  -1.135  -7.598
   61    HZ3  TRP   9           HZ3      TRP   9  -3.750   0.274  -4.012
   62    HH2  TRP   9           HH2      TRP   9  -4.469   0.639  -6.317
   63    H    TYR  10           H        TYR  10  -1.514  -5.100  -1.644
   64    HA   TYR  10           HA       TYR  10  -1.944  -6.375   0.771
   65    HB2  TYR  10           2HB      TYR  10  -0.012  -4.277  -0.134
   66    HB3  TYR  10           3HB      TYR  10  -0.065  -4.714   1.570
   67    HD1  TYR  10           HD1      TYR  10   0.267  -6.233  -1.820
   68    HD2  TYR  10           HD2      TYR  10   1.168  -6.534   2.328
   69    HE1  TYR  10           HE1      TYR  10   1.710  -8.171  -2.280
   70    HE2  TYR  10           HE2      TYR  10   2.615  -8.472   1.878
   71    HH   TYR  10           HH       TYR  10   3.520  -9.390  -1.313
  Start of MODEL    6
    1    H1   TYR   1           H        TYR   1   1.290   1.526  -0.105
    2    HA   TYR   1           HA       TYR   1   2.374   1.534  -2.724
    3    HB2  TYR   1           2HB      TYR   1   3.663   1.163  -0.592
    4    HB3  TYR   1           3HB      TYR   1   2.968  -0.453  -0.525
    5    HD1  TYR   1           HD1      TYR   1   3.390  -1.992  -2.548
    6    HD2  TYR   1           HD2      TYR   1   5.630   1.544  -1.786
    7    HE1  TYR   1           HE1      TYR   1   5.198  -2.835  -3.987
    8    HE2  TYR   1           HE2      TYR   1   7.444   0.712  -3.224
    9    HH   TYR   1           HH       TYR   1   8.241  -1.691  -3.974
   10    H    TYR   2           H        TYR   2   1.657   0.465  -4.432
   11    HA   TYR   2           HA       TYR   2  -0.059  -1.873  -4.049
   12    HB2  TYR   2           2HB      TYR   2  -0.831   0.000  -5.504
   13    HB3  TYR   2           3HB      TYR   2   0.513  -0.335  -6.589
   14    HD1  TYR   2           HD1      TYR   2  -2.122  -2.374  -4.879
   15    HD2  TYR   2           HD2      TYR   2  -0.109  -1.436  -8.508
   16    HE1  TYR   2           HE1      TYR   2  -3.500  -4.030  -6.065
   17    HE2  TYR   2           HE2      TYR   2  -1.482  -3.089  -9.704
   18    HH   TYR   2           HH       TYR   2  -3.012  -4.692  -9.518
   19    H    ASP   3           H        ASP   3   0.273  -3.808  -5.248
   20    HA   ASP   3           HA       ASP   3   3.088  -4.240  -6.003
   21    HB2  ASP   3           2HB      ASP   3   1.141  -5.895  -4.480
   22    HB3  ASP   3           3HB      ASP   3   2.267  -6.742  -5.537
   23    HA   PRO   4           HA       PRO   4   0.497  -4.812  -9.817
   24    HB2  PRO   4           2HB      PRO   4   2.163  -3.416 -11.444
   25    HB3  PRO   4           3HB      PRO   4   0.881  -2.651 -10.498
   26    HG2  PRO   4           2HG      PRO   4   3.810  -2.848  -9.909
   27    HG3  PRO   4           3HG      PRO   4   2.722  -1.459  -9.724
   28    HD2  PRO   4           2HD      PRO   4   3.466  -3.016  -7.637
   29    HD3  PRO   4           3HD      PRO   4   1.877  -2.228  -7.722
   30    H    GLU   5           H        GLU   5   3.742  -5.448  -8.855
   31    HA   GLU   5           HA       GLU   5   4.609  -6.817 -11.192
   32    HB2  GLU   5           2HB      GLU   5   6.435  -7.646  -9.795
   33    HB3  GLU   5           3HB      GLU   5   6.190  -5.922  -9.547
   34    HG2  GLU   5           2HG      GLU   5   5.088  -6.312  -7.462
   35    HG3  GLU   5           3HG      GLU   5   5.093  -8.053  -7.732
   36    H    THR   6           H        THR   6   2.702  -7.703  -8.436
   37    HA   THR   6           HA       THR   6   2.720 -10.514  -9.319
   38    HB   THR   6           HB       THR   6   1.789 -11.008  -7.023
   39    HG1  THR   6           HG1      THR   6   2.527  -9.161  -5.531
   40   HG21  THR   6          3HG2      THR   6   4.356 -10.849  -7.868
   41   HG22  THR   6          1HG2      THR   6   3.880 -11.420  -6.269
   42   HG23  THR   6          2HG2      THR   6   4.399  -9.749  -6.490
   43    H    GLY   7           H        GLY   7   0.592  -7.986  -7.983
   44    HA2  GLY   7           2HA      GLY   7  -1.487  -7.475  -9.122
   45    HA3  GLY   7           3HA      GLY   7  -1.610  -9.177  -9.544
   46    H    THR   8           H        THR   8  -1.142  -7.324  -6.531
   47    HA   THR   8           HA       THR   8  -3.636  -8.285  -5.459
   48    HB   THR   8           HB       THR   8  -1.219  -9.059  -3.859
   49    HG1  THR   8           HG1      THR   8  -1.626 -11.224  -4.805
   50   HG21  THR   8          3HG2      THR   8  -4.051 -10.103  -3.981
   51   HG22  THR   8          1HG2      THR   8  -3.397  -9.023  -2.750
   52   HG23  THR   8          2HG2      THR   8  -2.790 -10.673  -2.887
   53    H    TRP   9           H        TRP   9  -4.416  -6.932  -3.934
   54    HA   TRP   9           HA       TRP   9  -2.943  -4.522  -3.388
   55    HB2  TRP   9           2HB      TRP   9  -5.708  -5.502  -2.757
   56    HB3  TRP   9           3HB      TRP   9  -5.073  -4.070  -1.952
   57    HD1  TRP   9           HD1      TRP   9  -6.547  -5.239  -5.215
   58    HE1  TRP   9           HE1      TRP   9  -6.774  -3.240  -6.820
   59    HE3  TRP   9           HE3      TRP   9  -3.859  -1.777  -2.584
   60    HZ2  TRP   9           HZ2      TRP   9  -5.926  -0.551  -6.953
   61    HZ3  TRP   9           HZ3      TRP   9  -3.614   0.486  -3.520
   62    HH2  TRP   9           HH2      TRP   9  -4.626   1.084  -5.660
   63    H    TYR  10           H        TYR  10  -1.286  -4.779  -1.992
   64    HA   TYR  10           HA       TYR  10  -1.601  -6.392   0.399
   65    HB2  TYR  10           2HB      TYR  10   0.670  -5.049  -0.985
   66    HB3  TYR  10           3HB      TYR  10   0.825  -5.348   0.743
   67    HD1  TYR  10           HD1      TYR  10   0.303  -6.982  -2.536
   68    HD2  TYR  10           HD2      TYR  10   1.270  -7.523   1.572
   69    HE1  TYR  10           HE1      TYR  10   0.969  -9.303  -3.005
   70    HE2  TYR  10           HE2      TYR  10   1.940  -9.845   1.115
   71    HH   TYR  10           HH       TYR  10   2.518 -11.025  -1.938
  Start of MODEL    7
    1    H1   TYR   1           H        TYR   1   0.895   1.932  -0.136
    2    HA   TYR   1           HA       TYR   1   1.880   1.690  -2.641
    3    HB2  TYR   1           2HB      TYR   1   3.145   1.308  -0.511
    4    HB3  TYR   1           3HB      TYR   1   2.464  -0.314  -0.452
    5    HD1  TYR   1           HD2      TYR   1   2.999  -1.912  -2.346
    6    HD2  TYR   1           HD1      TYR   1   5.060   1.770  -1.797
    7    HE1  TYR   1           HE2      TYR   1   4.838  -2.738  -3.755
    8    HE2  TYR   1           HE1      TYR   1   6.904   0.954  -3.205
    9    HH   TYR   1           HH       TYR   1   7.504  -2.074  -3.877
   10    H    TYR   2           H        TYR   2   1.522   0.489  -4.388
   11    HA   TYR   2           HA       TYR   2  -0.271  -1.823  -4.136
   12    HB2  TYR   2           2HB      TYR   2  -0.968   0.019  -5.649
   13    HB3  TYR   2           3HB      TYR   2   0.477  -0.258  -6.615
   14    HD1  TYR   2           HD2      TYR   2  -2.183  -2.449  -5.151
   15    HD2  TYR   2           HD1      TYR   2   0.014  -1.304  -8.610
   16    HE1  TYR   2           HE2      TYR   2  -3.395  -4.133  -6.471
   17    HE2  TYR   2           HE1      TYR   2  -1.192  -2.985  -9.940
   18    HH   TYR   2           HH       TYR   2  -3.588  -5.136  -8.444
   19    H    ASP   3           H        ASP   3   0.161  -3.740  -5.361
   20    HA   ASP   3           HA       ASP   3   3.032  -4.145  -5.894
   21    HB2  ASP   3           2HB      ASP   3   2.176  -5.380  -3.910
   22    HB3  ASP   3           3HB      ASP   3   1.033  -6.214  -4.958
   23    HA   PRO   4           HA       PRO   4   0.700  -4.797  -9.858
   24    HB2  PRO   4           2HB      PRO   4   2.452  -3.402 -11.391
   25    HB3  PRO   4           3HB      PRO   4   1.104  -2.640 -10.539
   26    HG2  PRO   4           2HG      PRO   4   3.991  -2.796  -9.761
   27    HG3  PRO   4           3HG      PRO   4   2.879  -1.418  -9.664
   28    HD2  PRO   4           2HD      PRO   4   3.503  -2.941  -7.514
   29    HD3  PRO   4           3HD      PRO   4   1.915  -2.173  -7.711
   30    H    GLU   5           H        GLU   5   3.956  -5.285  -8.762
   31    HA   GLU   5           HA       GLU   5   5.031  -6.644 -10.964
   32    HB2  GLU   5           2HB      GLU   5   6.396  -5.860  -9.086
   33    HB3  GLU   5           3HB      GLU   5   5.621  -7.025  -8.023
   34    HG2  GLU   5           2HG      GLU   5   6.625  -8.852  -9.138
   35    HG3  GLU   5           3HG      GLU   5   7.168  -7.830 -10.467
   36    H    THR   6           H        THR   6   2.783  -7.643  -8.521
   37    HA   THR   6           HA       THR   6   2.764 -10.351  -9.687
   38    HB   THR   6           HB       THR   6   2.082  -9.666  -6.822
   39    HG1  THR   6           HG1      THR   6   4.155  -9.827  -6.480
   40   HG21  THR   6          3HG2      THR   6   1.091 -11.666  -6.844
   41   HG22  THR   6          1HG2      THR   6   2.686 -12.377  -7.087
   42   HG23  THR   6          2HG2      THR   6   1.668 -12.000  -8.477
   43    H    GLY   7           H        GLY   7   0.700  -8.307  -7.603
   44    HA2  GLY   7           2HA      GLY   7  -1.375  -7.472  -8.785
   45    HA3  GLY   7           3HA      GLY   7  -1.595  -9.150  -9.259
   46    H    THR   8           H        THR   8  -0.983  -7.301  -6.270
   47    HA   THR   8           HA       THR   8  -3.346  -8.475  -5.059
   48    HB   THR   8           HB       THR   8  -0.841  -8.726  -3.448
   49    HG1  THR   8           HG1      THR   8  -1.736 -10.856  -5.086
   50   HG21  THR   8          3HG2      THR   8  -2.653  -9.243  -2.132
   51   HG22  THR   8          1HG2      THR   8  -2.273 -10.837  -2.782
   52   HG23  THR   8          2HG2      THR   8  -3.587  -9.889  -3.480
   53    H    TRP   9           H        TRP   9  -4.199  -7.244  -3.421
   54    HA   TRP   9           HA       TRP   9  -2.985  -4.608  -3.073
   55    HB2  TRP   9           2HB      TRP   9  -5.743  -5.716  -2.757
   56    HB3  TRP   9           3HB      TRP   9  -5.301  -4.273  -1.848
   57    HD1  TRP   9           HD1      TRP   9  -6.619  -5.307  -5.131
   58    HE1  TRP   9           HE1      TRP   9  -6.605  -3.331  -6.780
   59    HE3  TRP   9           HE3      TRP   9  -3.651  -2.079  -2.503
   60    HZ2  TRP   9           HZ2      TRP   9  -5.483  -0.746  -6.945
   61    HZ3  TRP   9           HZ3      TRP   9  -3.155   0.126  -3.477
   62    HH2  TRP   9           HH2      TRP   9  -4.053   0.776  -5.653
   63    H    TYR  10           H        TYR  10  -1.447  -4.755  -1.518
   64    HA   TYR  10           HA       TYR  10  -1.895  -6.260   0.905
   65    HB2  TYR  10           2HB      TYR  10   0.376  -4.495  -0.016
   66    HB3  TYR  10           3HB      TYR  10   0.355  -5.306   1.546
   67    HD1  TYR  10           HD2      TYR  10  -0.237  -7.932   1.329
   68    HD2  TYR  10           HD1      TYR  10   1.544  -5.536  -1.702
   69    HE1  TYR  10           HE2      TYR  10   0.711  -9.953   0.296
   70    HE2  TYR  10           HE1      TYR  10   2.496  -7.550  -2.744
   71    HH   TYR  10           HH       TYR  10   1.626 -10.755  -1.678
  Start of MODEL    8
    1    H1   TYR   1           H        TYR   1   0.757  -1.048   0.655
    2    HA   TYR   1           HA       TYR   1   1.815   0.468  -1.636
    3    HB2  TYR   1           2HB      TYR   1   3.540  -0.199  -0.059
    4    HB3  TYR   1           3HB      TYR   1   3.000  -1.872  -0.128
    5    HD1  TYR   1           HD1      TYR   1   4.647   0.825  -2.037
    6    HD2  TYR   1           HD2      TYR   1   3.691  -3.318  -1.892
    7    HE1  TYR   1           HE1      TYR   1   6.204   0.407  -3.895
    8    HE2  TYR   1           HE2      TYR   1   5.246  -3.748  -3.748
    9    HH   TYR   1           HH       TYR   1   7.574  -1.659  -4.719
   10    H    TYR   2           H        TYR   2   1.177  -0.123  -3.591
   11    HA   TYR   2           HA       TYR   2  -0.435  -2.461  -3.985
   12    HB2  TYR   2           2HB      TYR   2  -0.829  -0.319  -5.186
   13    HB3  TYR   2           3HB      TYR   2   0.686  -0.555  -6.050
   14    HD1  TYR   2           HD2      TYR   2  -2.335  -2.631  -5.280
   15    HD2  TYR   2           HD1      TYR   2   0.425  -1.271  -8.219
   16    HE1  TYR   2           HE2      TYR   2  -3.522  -3.938  -6.992
   17    HE2  TYR   2           HE1      TYR   2  -0.755  -2.574  -9.939
   18    HH   TYR   2           HH       TYR   2  -2.395  -4.009 -10.360
   19    H    ASP   3           H        ASP   3   0.001  -4.184  -5.445
   20    HA   ASP   3           HA       ASP   3   2.878  -4.713  -5.809
   21    HB2  ASP   3           2HB      ASP   3   1.425  -6.149  -4.165
   22    HB3  ASP   3           3HB      ASP   3   0.855  -6.917  -5.644
   23    HA   PRO   4           HA       PRO   4   0.887  -4.537 -10.001
   24    HB2  PRO   4           2HB      PRO   4   2.862  -3.057 -11.134
   25    HB3  PRO   4           3HB      PRO   4   1.493  -2.338 -10.278
   26    HG2  PRO   4           2HG      PRO   4   4.278  -2.846  -9.307
   27    HG3  PRO   4           3HG      PRO   4   3.254  -1.417  -9.071
   28    HD2  PRO   4           2HD      PRO   4   3.577  -3.310  -7.162
   29    HD3  PRO   4           3HD      PRO   4   2.067  -2.396  -7.355
   30    H    GLU   5           H        GLU   5   3.914  -5.543  -8.692
   31    HA   GLU   5           HA       GLU   5   5.092  -6.606 -11.035
   32    HB2  GLU   5           2HB      GLU   5   5.505  -6.967  -8.100
   33    HB3  GLU   5           3HB      GLU   5   6.243  -8.123  -9.198
   34    HG2  GLU   5           2HG      GLU   5   6.623  -5.225  -9.729
   35    HG3  GLU   5           3HG      GLU   5   7.520  -5.970  -8.406
   36    H    THR   6           H        THR   6   2.797  -7.873  -8.708
   37    HA   THR   6           HA       THR   6   2.533 -10.289 -10.375
   38    HB   THR   6           HB       THR   6   2.135 -10.156  -7.380
   39    HG1  THR   6           HG1      THR   6   4.100 -11.110  -7.216
   40   HG21  THR   6          3HG2      THR   6   1.806 -12.521  -7.468
   41   HG22  THR   6          1HG2      THR   6   2.217 -12.574  -9.181
   42   HG23  THR   6          2HG2      THR   6   0.723 -11.797  -8.656
   43    H    GLY   7           H        GLY   7   0.772  -8.559  -7.788
   44    HA2  GLY   7           2HA      GLY   7  -1.332  -7.441  -8.756
   45    HA3  GLY   7           3HA      GLY   7  -1.718  -9.075  -9.277
   46    H    THR   8           H        THR   8  -1.041  -7.111  -6.407
   47    HA   THR   8           HA       THR   8  -3.133  -8.516  -4.969
   48    HB   THR   8           HB       THR   8  -0.450  -8.341  -3.623
   49    HG1  THR   8           HG1      THR   8  -1.473 -10.579  -5.067
   50   HG21  THR   8          3HG2      THR   8  -2.137 -10.555  -2.900
   51   HG22  THR   8          1HG2      THR   8  -3.039  -9.044  -2.795
   52   HG23  THR   8          2HG2      THR   8  -1.535  -9.238  -1.895
   53    H    TRP   9           H        TRP   9  -4.110  -7.263  -3.451
   54    HA   TRP   9           HA       TRP   9  -3.096  -4.521  -3.189
   55    HB2  TRP   9           2HB      TRP   9  -5.821  -5.746  -3.092
   56    HB3  TRP   9           3HB      TRP   9  -5.534  -4.251  -2.206
   57    HD1  TRP   9           HD1      TRP   9  -6.399  -5.499  -5.585
   58    HE1  TRP   9           HE1      TRP   9  -6.341  -3.575  -7.294
   59    HE3  TRP   9           HE3      TRP   9  -4.034  -1.963  -2.749
   60    HZ2  TRP   9           HZ2      TRP   9  -5.415  -0.912  -7.424
   61    HZ3  TRP   9           HZ3      TRP   9  -3.599   0.246  -3.740
   62    HH2  TRP   9           HH2      TRP   9  -4.276   0.759  -6.029
   63    H    TYR  10           H        TYR  10  -2.167  -6.885  -1.637
   64    HA   TYR  10           HA       TYR  10  -1.658  -7.478   0.504
   65    HB2  TYR  10           2HB      TYR  10  -1.892  -4.489   0.644
   66    HB3  TYR  10           3HB      TYR  10  -1.544  -5.419   2.097
   67    HD1  TYR  10           HD2      TYR  10  -0.360  -5.513  -1.454
   68    HD2  TYR  10           HD1      TYR  10   0.682  -5.365   2.669
   69    HE1  TYR  10           HE2      TYR  10   2.023  -5.559  -2.061
   70    HE2  TYR  10           HE1      TYR  10   3.068  -5.409   2.073
   71    HH   TYR  10           HH       TYR  10   4.135  -5.164  -1.255
  Start of MODEL    9
    1    H1   TYR   1           H        TYR   1   0.589   1.099   0.257
    2    HA   TYR   1           HA       TYR   1   1.926   1.237  -2.213
    3    HB2  TYR   1           2HB      TYR   1   2.669   0.267   0.114
    4    HB3  TYR   1           3HB      TYR   1   2.031  -1.240  -0.533
    5    HD1  TYR   1           HD1      TYR   1   3.119  -2.354  -2.401
    6    HD2  TYR   1           HD2      TYR   1   4.666   1.282  -0.823
    7    HE1  TYR   1           HE1      TYR   1   5.231  -2.738  -3.602
    8    HE2  TYR   1           HE2      TYR   1   6.781   0.909  -2.021
    9    HH   TYR   1           HH       TYR   1   8.048  -0.828  -3.022
   10    H    TYR   2           H        TYR   2   2.080  -0.340  -3.890
   11    HA   TYR   2           HA       TYR   2  -0.260  -2.105  -4.141
   12    HB2  TYR   2           2HB      TYR   2  -0.559  -0.009  -5.470
   13    HB3  TYR   2           3HB      TYR   2   0.881  -0.434  -6.388
   14    HD1  TYR   2           HD1      TYR   2  -2.201  -2.252  -5.282
   15    HD2  TYR   2           HD2      TYR   2   0.401  -1.231  -8.490
   16    HE1  TYR   2           HE1      TYR   2  -3.583  -3.585  -6.818
   17    HE2  TYR   2           HE2      TYR   2  -0.975  -2.561 -10.036
   18    HH   TYR   2           HH       TYR   2  -3.223  -3.431 -10.216
   19    H    ASP   3           H        ASP   3   0.027  -3.899  -5.601
   20    HA   ASP   3           HA       ASP   3   2.858  -4.616  -5.999
   21    HB2  ASP   3           2HB      ASP   3   1.664  -5.892  -4.175
   22    HB3  ASP   3           3HB      ASP   3   0.621  -6.564  -5.426
   23    HA   PRO   4           HA       PRO   4   0.658  -4.629 -10.096
   24    HB2  PRO   4           2HB      PRO   4   2.609  -3.279 -11.416
   25    HB3  PRO   4           3HB      PRO   4   1.302  -2.470 -10.544
   26    HG2  PRO   4           2HG      PRO   4   4.120  -2.991  -9.678
   27    HG3  PRO   4           3HG      PRO   4   3.144  -1.523  -9.486
   28    HD2  PRO   4           2HD      PRO   4   3.515  -3.299  -7.476
   29    HD3  PRO   4           3HD      PRO   4   2.020  -2.358  -7.655
   30    H    GLU   5           H        GLU   5   3.703  -5.654  -8.859
   31    HA   GLU   5           HA       GLU   5   4.736  -6.894 -11.190
   32    HB2  GLU   5           2HB      GLU   5   5.284  -7.160  -8.252
   33    HB3  GLU   5           3HB      GLU   5   6.015  -8.281  -9.392
   34    HG2  GLU   5           2HG      GLU   5   6.712  -6.057 -10.614
   35    HG3  GLU   5           3HG      GLU   5   6.510  -5.381  -8.998
   36    H    THR   6           H        THR   6   3.013  -8.221  -8.369
   37    HA   THR   6           HA       THR   6   2.499 -10.672  -9.905
   38    HB   THR   6           HB       THR   6   1.926 -10.338  -6.971
   39    HG1  THR   6           HG1      THR   6   4.395 -10.912  -8.251
   40   HG21  THR   6          3HG2      THR   6   2.913 -12.874  -8.089
   41   HG22  THR   6          1HG2      THR   6   1.336 -12.358  -8.684
   42   HG23  THR   6          2HG2      THR   6   1.599 -12.571  -6.953
   43    H    GLY   7           H        GLY   7   0.764  -8.677  -7.498
   44    HA2  GLY   7           2HA      GLY   7  -1.349  -7.648  -8.483
   45    HA3  GLY   7           3HA      GLY   7  -1.729  -9.300  -8.948
   46    H    THR   8           H        THR   8  -1.061  -7.242  -6.143
   47    HA   THR   8           HA       THR   8  -3.218  -8.455  -4.679
   48    HB   THR   8           HB       THR   8  -0.531  -8.675  -3.352
   49    HG1  THR   8           HG1      THR   8  -0.183 -10.582  -4.274
   50   HG21  THR   8          3HG2      THR   8  -3.182  -9.050  -2.523
   51   HG22  THR   8          1HG2      THR   8  -1.717  -9.482  -1.644
   52   HG23  THR   8          2HG2      THR   8  -2.501 -10.668  -2.688
   53    H    TRP   9           H        TRP   9  -4.175  -6.798  -3.718
   54    HA   TRP   9           HA       TRP   9  -2.882  -4.287  -3.348
   55    HB2  TRP   9           2HB      TRP   9  -5.590  -5.384  -2.658
   56    HB3  TRP   9           3HB      TRP   9  -5.085  -3.813  -2.041
   57    HD1  TRP   9           HD1      TRP   9  -6.332  -5.527  -5.163
   58    HE1  TRP   9           HE1      TRP   9  -6.666  -3.779  -7.022
   59    HE3  TRP   9           HE3      TRP   9  -4.068  -1.524  -2.929
   60    HZ2  TRP   9           HZ2      TRP   9  -6.050  -1.062  -7.481
   61    HZ3  TRP   9           HZ3      TRP   9  -3.982   0.612  -4.146
   62    HH2  TRP   9           HH2      TRP   9  -4.952   0.836  -6.375
   63    H    TYR  10           H        TYR  10  -1.236  -4.298  -1.902
   64    HA   TYR  10           HA       TYR  10  -1.550  -5.584   0.680
   65    HB2  TYR  10           2HB      TYR  10   0.708  -4.280  -0.784
   66    HB3  TYR  10           3HB      TYR  10   0.815  -4.455   0.964
   67    HD1  TYR  10           HD1      TYR  10   0.724  -6.236  -2.240
   68    HD2  TYR  10           HD2      TYR  10   1.054  -6.640   1.983
   69    HE1  TYR  10           HE1      TYR  10   1.493  -8.555  -2.528
   70    HE2  TYR  10           HE2      TYR  10   1.825  -8.959   1.706
   71    HH   TYR  10           HH       TYR  10   2.718 -10.248  -1.347
  Start of MODEL   10
    1    H1   TYR   1           H        TYR   1   0.546   0.033  -0.084
    2    HA   TYR   1           HA       TYR   1   2.054   1.303  -2.166
    3    HB2  TYR   1           2HB      TYR   1   3.844   0.800  -0.533
    4    HB3  TYR   1           3HB      TYR   1   3.392  -0.901  -0.582
    5    HD1  TYR   1           HD2      TYR   1   4.957   1.850  -2.444
    6    HD2  TYR   1           HD1      TYR   1   3.990  -2.293  -2.459
    7    HE1  TYR   1           HE2      TYR   1   6.480   1.508  -4.345
    8    HE2  TYR   1           HE1      TYR   1   5.511  -2.648  -4.360
    9    HH   TYR   1           HH       TYR   1   6.588  -1.474  -6.099
   10    H    TYR   2           H        TYR   2   1.457   0.429  -4.035
   11    HA   TYR   2           HA       TYR   2  -0.122  -1.998  -4.026
   12    HB2  TYR   2           2HB      TYR   2  -0.783   0.007  -5.353
   13    HB3  TYR   2           3HB      TYR   2   0.641  -0.232  -6.360
   14    HD1  TYR   2           HD2      TYR   2  -2.180  -2.334  -5.077
   15    HD2  TYR   2           HD1      TYR   2   0.231  -1.212  -8.398
   16    HE1  TYR   2           HE2      TYR   2  -3.461  -3.863  -6.516
   17    HE2  TYR   2           HE1      TYR   2  -1.044  -2.736  -9.847
   18    HH   TYR   2           HH       TYR   2  -3.917  -4.386  -8.700
   19    H    ASP   3           H        ASP   3   0.334  -3.869  -5.204
   20    HA   ASP   3           HA       ASP   3   3.173  -4.202  -5.920
   21    HB2  ASP   3           2HB      ASP   3   1.247  -5.947  -4.478
   22    HB3  ASP   3           3HB      ASP   3   2.394  -6.741  -5.554
   23    HA   PRO   4           HA       PRO   4   0.681  -4.709  -9.805
   24    HB2  PRO   4           2HB      PRO   4   2.358  -3.236 -11.351
   25    HB3  PRO   4           3HB      PRO   4   1.042  -2.522 -10.411
   26    HG2  PRO   4           2HG      PRO   4   3.960  -2.688  -9.763
   27    HG3  PRO   4           3HG      PRO   4   2.845  -1.324  -9.560
   28    HD2  PRO   4           2HD      PRO   4   3.570  -2.931  -7.505
   29    HD3  PRO   4           3HD      PRO   4   1.970  -2.168  -7.602
   30    H    GLU   5           H        GLU   5   3.910  -5.327  -8.785
   31    HA   GLU   5           HA       GLU   5   4.908  -6.566 -11.123
   32    HB2  GLU   5           2HB      GLU   5   6.629  -7.507  -9.670
   33    HB3  GLU   5           3HB      GLU   5   6.366  -5.808  -9.302
   34    HG2  GLU   5           2HG      GLU   5   5.281  -6.286  -7.294
   35    HG3  GLU   5           3HG      GLU   5   4.994  -7.966  -7.745
   36    H    THR   6           H        THR   6   2.788  -7.629  -8.602
   37    HA   THR   6           HA       THR   6   2.779 -10.334  -9.776
   38    HB   THR   6           HB       THR   6   2.206  -9.569  -6.906
   39    HG1  THR   6           HG1      THR   6   4.282 -11.210  -7.959
   40   HG21  THR   6          3HG2      THR   6   0.786 -11.376  -7.313
   41   HG22  THR   6          1HG2      THR   6   2.242 -12.142  -6.680
   42   HG23  THR   6          2HG2      THR   6   1.925 -12.147  -8.415
   43    H    GLY   7           H        GLY   7   0.788  -7.913  -8.089
   44    HA2  GLY   7           2HA      GLY   7  -1.312  -7.245  -9.137
   45    HA3  GLY   7           3HA      GLY   7  -1.526  -8.920  -9.623
   46    H    THR   8           H        THR   8  -1.082  -6.982  -6.666
   47    HA   THR   8           HA       THR   8  -3.365  -8.351  -5.474
   48    HB   THR   8           HB       THR   8  -1.368  -9.675  -4.805
   49    HG1  THR   8           HG1      THR   8  -2.612  -9.969  -3.126
   50   HG21  THR   8          3HG2      THR   8  -0.530  -7.321  -3.139
   51   HG22  THR   8          1HG2      THR   8   0.118  -7.574  -4.759
   52   HG23  THR   8          2HG2      THR   8   0.370  -8.791  -3.508
   53    H    TRP   9           H        TRP   9  -3.801  -7.374  -3.219
   54    HA   TRP   9           HA       TRP   9  -3.154  -4.503  -3.236
   55    HB2  TRP   9           2HB      TRP   9  -5.820  -5.843  -3.095
   56    HB3  TRP   9           3HB      TRP   9  -5.580  -4.356  -2.181
   57    HD1  TRP   9           HD1      TRP   9  -6.584  -5.526  -5.517
   58    HE1  TRP   9           HE1      TRP   9  -6.602  -3.582  -7.203
   59    HE3  TRP   9           HE3      TRP   9  -4.027  -2.051  -2.775
   60    HZ2  TRP   9           HZ2      TRP   9  -5.656  -0.926  -7.352
   61    HZ3  TRP   9           HZ3      TRP   9  -3.625   0.167  -3.763
   62    HH2  TRP   9           HH2      TRP   9  -4.423   0.715  -6.004
   63    H    TYR  10           H        TYR  10  -1.521  -5.709  -1.732
   64    HA   TYR  10           HA       TYR  10  -2.196  -6.727   0.742
   65    HB2  TYR  10           2HB      TYR  10   0.188  -5.268  -0.310
   66    HB3  TYR  10           3HB      TYR  10   0.075  -5.551   1.423
   67    HD1  TYR  10           HD1      TYR  10  -0.270  -7.970   2.204
   68    HD2  TYR  10           HD2      TYR  10   0.976  -6.947  -1.733
   69    HE1  TYR  10           HE1      TYR  10   0.600 -10.250   1.894
   70    HE2  TYR  10           HE2      TYR  10   1.848  -9.224  -2.055
   71    HH   TYR  10           HH       TYR  10   2.633 -11.217   0.128
  Start of MODEL   11
    1    H1   TYR   1           H        TYR   1   1.425   1.184   0.516
    2    HA   TYR   1           HA       TYR   1   1.932   1.597  -2.217
    3    HB2  TYR   1           2HB      TYR   1   3.683   1.229  -0.486
    4    HB3  TYR   1           3HB      TYR   1   3.204  -0.462  -0.402
    5    HD1  TYR   1           HD2      TYR   1   4.646   2.120  -2.631
    6    HD2  TYR   1           HD1      TYR   1   4.008  -2.035  -1.974
    7    HE1  TYR   1           HE2      TYR   1   6.193   1.597  -4.470
    8    HE2  TYR   1           HE1      TYR   1   5.554  -2.569  -3.811
    9    HH   TYR   1           HH       TYR   1   6.830  -1.760  -5.438
   10    H    TYR   2           H        TYR   2   1.472   0.454  -3.995
   11    HA   TYR   2           HA       TYR   2  -0.170  -1.939  -3.689
   12    HB2  TYR   2           2HB      TYR   2  -0.957  -0.111  -5.159
   13    HB3  TYR   2           3HB      TYR   2   0.463  -0.334  -6.175
   14    HD1  TYR   2           HD2      TYR   2  -2.164  -2.550  -4.686
   15    HD2  TYR   2           HD1      TYR   2   0.035  -1.425  -8.151
   16    HE1  TYR   2           HE2      TYR   2  -3.374  -4.243  -5.997
   17    HE2  TYR   2           HE1      TYR   2  -1.170  -3.115  -9.471
   18    HH   TYR   2           HH       TYR   2  -2.805  -4.624  -9.479
   19    H    ASP   3           H        ASP   3   0.253  -3.875  -4.829
   20    HA   ASP   3           HA       ASP   3   3.092  -4.239  -5.531
   21    HB2  ASP   3           2HB      ASP   3   1.964  -5.468  -3.488
   22    HB3  ASP   3           3HB      ASP   3   1.351  -6.541  -4.743
   23    HA   PRO   4           HA       PRO   4   0.584  -4.957  -9.373
   24    HB2  PRO   4           2HB      PRO   4   2.248  -3.562 -11.001
   25    HB3  PRO   4           3HB      PRO   4   0.935  -2.804 -10.094
   26    HG2  PRO   4           2HG      PRO   4   3.856  -2.926  -9.452
   27    HG3  PRO   4           3HG      PRO   4   2.737  -1.557  -9.316
   28    HD2  PRO   4           2HD      PRO   4   3.477  -3.052  -7.183
   29    HD3  PRO   4           3HD      PRO   4   1.873  -2.300  -7.312
   30    H    GLU   5           H        GLU   5   3.824  -5.503  -8.342
   31    HA   GLU   5           HA       GLU   5   4.833  -6.848 -10.608
   32    HB2  GLU   5           2HB      GLU   5   6.005  -5.993  -8.405
   33    HB3  GLU   5           3HB      GLU   5   5.679  -7.629  -7.850
   34    HG2  GLU   5           2HG      GLU   5   6.883  -8.497  -9.825
   35    HG3  GLU   5           3HG      GLU   5   7.284  -6.839 -10.269
   36    H    THR   6           H        THR   6   2.672  -7.807  -8.081
   37    HA   THR   6           HA       THR   6   2.744 -10.584  -9.069
   38    HB   THR   6           HB       THR   6   3.341 -10.304  -6.661
   39    HG1  THR   6           HG1      THR   6   2.119 -12.175  -7.644
   40   HG21  THR   6          3HG2      THR   6   1.788  -8.386  -6.254
   41   HG22  THR   6          1HG2      THR   6   1.675  -9.671  -5.053
   42   HG23  THR   6          2HG2      THR   6   0.446  -9.527  -6.310
   43    H    GLY   7           H        GLY   7   0.736  -7.815  -8.342
   44    HA2  GLY   7           2HA      GLY   7  -1.279  -7.346  -9.487
   45    HA3  GLY   7           3HA      GLY   7  -1.435  -9.055  -9.864
   46    H    THR   8           H        THR   8  -0.726  -7.866  -6.650
   47    HA   THR   8           HA       THR   8  -3.467  -8.564  -5.825
   48    HB   THR   8           HB       THR   8  -0.931  -9.211  -4.309
   49    HG1  THR   8           HG1      THR   8  -2.708 -10.731  -5.895
   50   HG21  THR   8          3HG2      THR   8  -3.841  -9.654  -3.647
   51   HG22  THR   8          1HG2      THR   8  -2.671  -8.693  -2.744
   52   HG23  THR   8          2HG2      THR   8  -2.509 -10.448  -2.806
   53    H    TRP   9           H        TRP   9  -4.382  -7.331  -4.204
   54    HA   TRP   9           HA       TRP   9  -3.145  -4.737  -3.785
   55    HB2  TRP   9           2HB      TRP   9  -5.872  -5.867  -3.551
   56    HB3  TRP   9           3HB      TRP   9  -5.474  -4.576  -2.420
   57    HD1  TRP   9           HD1      TRP   9  -6.597  -5.145  -5.915
   58    HE1  TRP   9           HE1      TRP   9  -6.636  -2.922  -7.211
   59    HE3  TRP   9           HE3      TRP   9  -4.015  -2.228  -2.603
   60    HZ2  TRP   9           HZ2      TRP   9  -5.696  -0.281  -6.875
   61    HZ3  TRP   9           HZ3      TRP   9  -3.628   0.135  -3.166
   62    HH2  TRP   9           HH2      TRP   9  -4.451   1.086  -5.259
   63    H    TYR  10           H        TYR  10  -1.422  -5.407  -2.403
   64    HA   TYR  10           HA       TYR  10  -1.682  -6.825  -0.025
   65    HB2  TYR  10           2HB      TYR  10   0.284  -4.871  -1.105
   66    HB3  TYR  10           3HB      TYR  10   0.349  -5.208   0.621
   67    HD1  TYR  10           HD2      TYR  10   0.391  -6.875  -2.704
   68    HD2  TYR  10           HD1      TYR  10   1.446  -7.114   1.411
   69    HE1  TYR  10           HE2      TYR  10   1.673  -8.925  -3.158
   70    HE2  TYR  10           HE1      TYR  10   2.732  -9.164   0.968
   71    HH   TYR  10           HH       TYR  10   3.793 -10.318  -0.834
  Start of MODEL   12
    1    H1   TYR   1           H        TYR   1   0.374   0.700  -0.035
    2    HA   TYR   1           HA       TYR   1   1.968   1.420  -2.405
    3    HB2  TYR   1           2HB      TYR   1   3.222   0.913  -0.291
    4    HB3  TYR   1           3HB      TYR   1   2.585  -0.725  -0.366
    5    HD1  TYR   1           HD2      TYR   1   3.347  -2.279  -2.097
    6    HD2  TYR   1           HD1      TYR   1   4.964   1.646  -1.795
    7    HE1  TYR   1           HE2      TYR   1   5.220  -2.945  -3.545
    8    HE2  TYR   1           HE1      TYR   1   6.840   0.991  -3.244
    9    HH   TYR   1           HH       TYR   1   7.962  -0.855  -4.083
   10    H    TYR   2           H        TYR   2   1.346   0.497  -4.230
   11    HA   TYR   2           HA       TYR   2  -0.335  -1.880  -4.162
   12    HB2  TYR   2           2HB      TYR   2  -0.922   0.090  -5.588
   13    HB3  TYR   2           3HB      TYR   2   0.517  -0.230  -6.550
   14    HD1  TYR   2           HD1      TYR   2  -2.327  -2.266  -5.208
   15    HD2  TYR   2           HD2      TYR   2   0.074  -1.238  -8.567
   16    HE1  TYR   2           HE1      TYR   2  -3.614  -3.833  -6.600
   17    HE2  TYR   2           HE2      TYR   2  -1.208  -2.801  -9.969
   18    HH   TYR   2           HH       TYR   2  -2.760  -4.404  -9.992
   19    H    ASP   3           H        ASP   3   0.116  -3.766  -5.376
   20    HA   ASP   3           HA       ASP   3   2.987  -4.179  -5.893
   21    HB2  ASP   3           2HB      ASP   3   0.918  -5.876  -4.598
   22    HB3  ASP   3           3HB      ASP   3   2.121  -6.695  -5.590
   23    HA   PRO   4           HA       PRO   4   0.744  -4.611  -9.938
   24    HB2  PRO   4           2HB      PRO   4   2.548  -3.168 -11.363
   25    HB3  PRO   4           3HB      PRO   4   1.189  -2.430 -10.507
   26    HG2  PRO   4           2HG      PRO   4   4.054  -2.659  -9.670
   27    HG3  PRO   4           3HG      PRO   4   2.955  -1.273  -9.534
   28    HD2  PRO   4           2HD      PRO   4   3.511  -2.903  -7.444
   29    HD3  PRO   4           3HD      PRO   4   1.936  -2.107  -7.642
   30    H    GLU   5           H        GLU   5   3.911  -5.266  -8.735
   31    HA   GLU   5           HA       GLU   5   4.965  -6.571 -11.028
   32    HB2  GLU   5           2HB      GLU   5   6.299  -5.683  -9.081
   33    HB3  GLU   5           3HB      GLU   5   5.732  -7.062  -8.150
   34    HG2  GLU   5           2HG      GLU   5   7.148  -7.430 -10.761
   35    HG3  GLU   5           3HG      GLU   5   8.037  -7.197  -9.256
   36    H    THR   6           H        THR   6   2.868  -7.550  -8.438
   37    HA   THR   6           HA       THR   6   2.890 -10.306  -9.486
   38    HB   THR   6           HB       THR   6   2.192  -9.397  -6.687
   39    HG1  THR   6           HG1      THR   6   4.470 -10.639  -7.829
   40   HG21  THR   6          3HG2      THR   6   0.858 -11.282  -7.084
   41   HG22  THR   6          1HG2      THR   6   2.296 -11.936  -6.300
   42   HG23  THR   6          2HG2      THR   6   2.105 -12.073  -8.048
   43    H    GLY   7           H        GLY   7   0.702  -8.231  -7.566
   44    HA2  GLY   7           2HA      GLY   7  -1.355  -7.498  -8.835
   45    HA3  GLY   7           3HA      GLY   7  -1.507  -9.193  -9.276
   46    H    THR   8           H        THR   8  -1.089  -7.230  -6.327
   47    HA   THR   8           HA       THR   8  -3.473  -8.370  -5.172
   48    HB   THR   8           HB       THR   8  -0.880  -8.844  -3.703
   49    HG1  THR   8           HG1      THR   8  -0.867 -10.875  -4.503
   50   HG21  THR   8          3HG2      THR   8  -3.165  -8.642  -2.519
   51   HG22  THR   8          1HG2      THR   8  -2.148 -10.033  -2.145
   52   HG23  THR   8          2HG2      THR   8  -3.512 -10.210  -3.248
   53    H    TRP   9           H        TRP   9  -4.357  -7.059  -3.648
   54    HA   TRP   9           HA       TRP   9  -3.069  -4.491  -3.232
   55    HB2  TRP   9           2HB      TRP   9  -5.825  -5.575  -2.728
   56    HB3  TRP   9           3HB      TRP   9  -5.312  -4.061  -1.987
   57    HD1  TRP   9           HD1      TRP   9  -6.582  -5.496  -5.212
   58    HE1  TRP   9           HE1      TRP   9  -6.764  -3.633  -6.979
   59    HE3  TRP   9           HE3      TRP   9  -4.064  -1.791  -2.748
   60    HZ2  TRP   9           HZ2      TRP   9  -5.948  -0.948  -7.287
   61    HZ3  TRP   9           HZ3      TRP   9  -3.809   0.395  -3.849
   62    HH2  TRP   9           HH2      TRP   9  -4.732   0.805  -6.072
   63    H    TYR  10           H        TYR  10  -1.355  -5.212  -1.854
   64    HA   TYR  10           HA       TYR  10  -1.704  -6.586   0.557
   65    HB2  TYR  10           2HB      TYR  10   0.408  -4.815  -0.577
   66    HB3  TYR  10           3HB      TYR  10   0.467  -5.162   1.147
   67    HD1  TYR  10           HD2      TYR  10   0.250  -6.855  -2.165
   68    HD2  TYR  10           HD1      TYR  10   1.477  -7.120   1.900
   69    HE1  TYR  10           HE2      TYR  10   1.344  -9.005  -2.642
   70    HE2  TYR  10           HE1      TYR  10   2.575  -9.270   1.435
   71    HH   TYR  10           HH       TYR  10   3.517 -10.474  -0.505
  Start of MODEL   13
    1    H1   TYR   1           H        TYR   1   1.433   1.240  -0.031
    2    HA   TYR   1           HA       TYR   1   2.263   1.660  -2.749
    3    HB2  TYR   1           2HB      TYR   1   3.868   1.324  -0.876
    4    HB3  TYR   1           3HB      TYR   1   3.306  -0.337  -0.731
    5    HD1  TYR   1           HD2      TYR   1   5.199   2.026  -2.810
    6    HD2  TYR   1           HD1      TYR   1   3.966  -2.018  -2.329
    7    HE1  TYR   1           HE2      TYR   1   6.847   1.329  -4.498
    8    HE2  TYR   1           HE1      TYR   1   5.612  -2.726  -4.014
    9    HH   TYR   1           HH       TYR   1   7.261  -0.499  -6.021
   10    H    TYR   2           H        TYR   2   1.439   0.641  -4.438
   11    HA   TYR   2           HA       TYR   2  -0.165  -1.734  -4.112
   12    HB2  TYR   2           2HB      TYR   2  -0.816   0.053  -5.689
   13    HB3  TYR   2           3HB      TYR   2   0.634  -0.266  -6.635
   14    HD1  TYR   2           HD2      TYR   2  -2.145  -2.310  -5.175
   15    HD2  TYR   2           HD1      TYR   2   0.249  -1.427  -8.580
   16    HE1  TYR   2           HE2      TYR   2  -3.369  -4.006  -6.469
   17    HE2  TYR   2           HE1      TYR   2  -0.970  -3.120  -9.883
   18    HH   TYR   2           HH       TYR   2  -2.483  -4.755  -9.820
   19    H    ASP   3           H        ASP   3   0.193  -3.726  -5.207
   20    HA   ASP   3           HA       ASP   3   3.042  -4.270  -5.726
   21    HB2  ASP   3           2HB      ASP   3   1.713  -5.388  -3.741
   22    HB3  ASP   3           3HB      ASP   3   1.121  -6.449  -5.016
   23    HA   PRO   4           HA       PRO   4   0.745  -4.914  -9.710
   24    HB2  PRO   4           2HB      PRO   4   2.592  -3.655 -11.250
   25    HB3  PRO   4           3HB      PRO   4   1.272  -2.801 -10.442
   26    HG2  PRO   4           2HG      PRO   4   4.133  -3.085  -9.610
   27    HG3  PRO   4           3HG      PRO   4   3.093  -1.649  -9.569
   28    HD2  PRO   4           2HD      PRO   4   3.603  -3.142  -7.368
   29    HD3  PRO   4           3HD      PRO   4   2.060  -2.298  -7.613
   30    H    GLU   5           H        GLU   5   3.859  -5.649  -8.449
   31    HA   GLU   5           HA       GLU   5   4.847  -7.152 -10.659
   32    HB2  GLU   5           2HB      GLU   5   5.593  -7.113  -7.735
   33    HB3  GLU   5           3HB      GLU   5   6.431  -8.095  -8.929
   34    HG2  GLU   5           2HG      GLU   5   6.620  -5.762 -10.166
   35    HG3  GLU   5           3HG      GLU   5   6.466  -5.162  -8.516
   36    H    THR   6           H        THR   6   2.785  -7.853  -7.942
   37    HA   THR   6           HA       THR   6   2.713 -10.690  -8.732
   38    HB   THR   6           HB       THR   6   3.394 -10.328  -6.395
   39    HG1  THR   6           HG1      THR   6   2.377 -12.187  -6.292
   40   HG21  THR   6          3HG2      THR   6   1.634  -8.257  -6.378
   41   HG22  THR   6          1HG2      THR   6   2.304  -9.006  -4.929
   42   HG23  THR   6          2HG2      THR   6   0.714  -9.492  -5.520
   43    H    GLY   7           H        GLY   7   0.791  -7.824  -8.105
   44    HA2  GLY   7           2HA      GLY   7  -1.242  -7.367  -9.227
   45    HA3  GLY   7           3HA      GLY   7  -1.448  -9.090  -9.505
   46    H    THR   8           H        THR   8  -0.630  -7.716  -6.387
   47    HA   THR   8           HA       THR   8  -3.359  -8.307  -5.449
   48    HB   THR   8           HB       THR   8  -0.997  -8.763  -3.660
   49    HG1  THR   8           HG1      THR   8  -1.014 -10.957  -4.371
   50   HG21  THR   8          3HG2      THR   8  -3.873  -9.251  -3.626
   51   HG22  THR   8          1HG2      THR   8  -2.727  -9.159  -2.289
   52   HG23  THR   8          2HG2      THR   8  -2.925 -10.669  -3.180
   53    H    TRP   9           H        TRP   9  -4.114  -7.060  -3.697
   54    HA   TRP   9           HA       TRP   9  -2.911  -4.420  -3.566
   55    HB2  TRP   9           2HB      TRP   9  -5.555  -5.597  -2.895
   56    HB3  TRP   9           3HB      TRP   9  -5.053  -4.185  -1.969
   57    HD1  TRP   9           HD1      TRP   9  -6.666  -5.127  -5.163
   58    HE1  TRP   9           HE1      TRP   9  -6.931  -3.066  -6.681
   59    HE3  TRP   9           HE3      TRP   9  -3.635  -1.871  -2.644
   60    HZ2  TRP   9           HZ2      TRP   9  -5.980  -0.410  -6.795
   61    HZ3  TRP   9           HZ3      TRP   9  -3.366   0.411  -3.524
   62    HH2  TRP   9           HH2      TRP   9  -4.515   1.124  -5.557
   63    H    TYR  10           H        TYR  10  -3.202  -7.266  -1.619
   64    HA   TYR  10           HA       TYR  10  -2.403  -7.832   0.433
   65    HB2  TYR  10           2HB      TYR  10  -0.596  -5.583  -0.369
   66    HB3  TYR  10           3HB      TYR  10  -0.470  -6.256   1.252
   67    HD1  TYR  10           HD1      TYR  10  -0.119  -7.000  -2.342
   68    HD2  TYR  10           HD2      TYR  10   0.503  -8.409   1.625
   69    HE1  TYR  10           HE1      TYR  10   1.292  -8.816  -3.214
   70    HE2  TYR  10           HE2      TYR  10   1.916 -10.228   0.764
   71    HH   TYR  10           HH       TYR  10   3.270 -10.725  -1.223
  Start of MODEL   14
    1    H1   TYR   1           H        TYR   1  -0.312   1.133  -0.220
    2    HA   TYR   1           HA       TYR   1   1.897   1.441  -2.104
    3    HB2  TYR   1           2HB      TYR   1   2.584   0.542   0.290
    4    HB3  TYR   1           3HB      TYR   1   1.956  -0.974  -0.347
    5    HD1  TYR   1           HD2      TYR   1   4.583   1.565  -0.668
    6    HD2  TYR   1           HD1      TYR   1   3.101  -2.147  -2.126
    7    HE1  TYR   1           HE2      TYR   1   6.723   1.167  -1.814
    8    HE2  TYR   1           HE1      TYR   1   5.237  -2.555  -3.276
    9    HH   TYR   1           HH       TYR   1   7.473  -1.888  -3.297
   10    H    TYR   2           H        TYR   2   2.097  -0.421  -3.571
   11    HA   TYR   2           HA       TYR   2  -0.228  -2.171  -3.724
   12    HB2  TYR   2           2HB      TYR   2  -0.878  -0.161  -4.993
   13    HB3  TYR   2           3HB      TYR   2   0.558  -0.334  -5.997
   14    HD1  TYR   2           HD2      TYR   2  -2.195  -2.596  -4.845
   15    HD2  TYR   2           HD1      TYR   2   0.111  -1.129  -8.106
   16    HE1  TYR   2           HE2      TYR   2  -3.450  -4.052  -6.380
   17    HE2  TYR   2           HE1      TYR   2  -1.138  -2.580  -9.650
   18    HH   TYR   2           HH       TYR   2  -3.689  -4.754  -8.469
   19    H    ASP   3           H        ASP   3   0.075  -3.996  -5.069
   20    HA   ASP   3           HA       ASP   3   2.895  -4.492  -5.766
   21    HB2  ASP   3           2HB      ASP   3   1.657  -5.858  -3.898
   22    HB3  ASP   3           3HB      ASP   3   0.946  -6.712  -5.265
   23    HA   PRO   4           HA       PRO   4   0.443  -4.563  -9.710
   24    HB2  PRO   4           2HB      PRO   4   2.249  -3.118 -11.132
   25    HB3  PRO   4           3HB      PRO   4   0.971  -2.373 -10.165
   26    HG2  PRO   4           2HG      PRO   4   3.857  -2.791  -9.490
   27    HG3  PRO   4           3HG      PRO   4   2.838  -1.366  -9.213
   28    HD2  PRO   4           2HD      PRO   4   3.410  -3.151  -7.259
   29    HD3  PRO   4           3HD      PRO   4   1.870  -2.270  -7.327
   30    H    GLU   5           H        GLU   5   3.587  -5.494  -8.678
   31    HA   GLU   5           HA       GLU   5   4.459  -6.695 -11.117
   32    HB2  GLU   5           2HB      GLU   5   6.083  -6.028  -9.446
   33    HB3  GLU   5           3HB      GLU   5   5.355  -7.102  -8.260
   34    HG2  GLU   5           2HG      GLU   5   7.316  -8.160  -9.042
   35    HG3  GLU   5           3HG      GLU   5   5.951  -9.015  -9.757
   36    H    THR   6           H        THR   6   3.494  -8.190  -8.023
   37    HA   THR   6           HA       THR   6   3.144 -10.765  -9.194
   38    HB   THR   6           HB       THR   6   2.004  -9.854  -6.552
   39    HG1  THR   6           HG1      THR   6   4.061 -10.618  -5.718
   40   HG21  THR   6          3HG2      THR   6   2.814 -12.526  -7.687
   41   HG22  THR   6          1HG2      THR   6   1.213 -12.018  -7.151
   42   HG23  THR   6          2HG2      THR   6   2.503 -12.260  -5.972
   43    H    GLY   7           H        GLY   7   0.781  -8.507  -7.744
   44    HA2  GLY   7           2HA      GLY   7  -1.120  -8.179  -9.514
   45    HA3  GLY   7           3HA      GLY   7  -1.353  -9.892  -9.200
   46    H    THR   8           H        THR   8  -0.672  -9.673  -6.373
   47    HA   THR   8           HA       THR   8  -3.234  -9.243  -5.321
   48    HB   THR   8           HB       THR   8  -0.661  -9.151  -3.740
   49    HG1  THR   8           HG1      THR   8  -2.077 -11.301  -4.899
   50   HG21  THR   8          3HG2      THR   8  -2.535 -10.504  -2.274
   51   HG22  THR   8          1HG2      THR   8  -3.512  -9.277  -3.079
   52   HG23  THR   8          2HG2      THR   8  -2.138  -8.797  -2.083
   53    H    TRP   9           H        TRP   9  -4.097  -7.597  -4.047
   54    HA   TRP   9           HA       TRP   9  -3.052  -4.956  -4.641
   55    HB2  TRP   9           2HB      TRP   9  -5.597  -5.946  -4.449
   56    HB3  TRP   9           3HB      TRP   9  -5.408  -5.147  -2.891
   57    HD1  TRP   9           HD1      TRP   9  -6.594  -4.417  -6.227
   58    HE1  TRP   9           HE1      TRP   9  -6.598  -1.888  -6.707
   59    HE3  TRP   9           HE3      TRP   9  -3.637  -2.852  -2.361
   60    HZ2  TRP   9           HZ2      TRP   9  -5.494   0.459  -5.594
   61    HZ3  TRP   9           HZ3      TRP   9  -3.159  -0.448  -2.140
   62    HH2  TRP   9           HH2      TRP   9  -4.068   1.171  -3.725
   63    H    TYR  10           H        TYR  10  -1.275  -4.607  -3.375
   64    HA   TYR  10           HA       TYR  10  -1.347  -5.166  -0.536
   65    HB2  TYR  10           2HB      TYR  10   0.705  -4.330  -2.504
   66    HB3  TYR  10           3HB      TYR  10   0.946  -3.783  -0.848
   67    HD1  TYR  10           HD2      TYR  10  -0.397  -6.988  -2.216
   68    HD2  TYR  10           HD1      TYR  10   2.630  -5.072   0.079
   69    HE1  TYR  10           HE2      TYR  10   0.543  -9.185  -1.633
   70    HE2  TYR  10           HE1      TYR  10   3.579  -7.263   0.668
   71    HH   TYR  10           HH       TYR  10   3.352  -9.802  -0.733
  Start of MODEL   15
    1    H1   TYR   1           H        TYR   1   2.387   0.492   0.457
    2    HA   TYR   1           HA       TYR   1   2.532   1.206  -2.229
    3    HB2  TYR   1           2HB      TYR   1   4.511   0.808  -0.830
    4    HB3  TYR   1           3HB      TYR   1   4.131  -0.910  -0.772
    5    HD1  TYR   1           HD1      TYR   1   5.407   1.821  -2.856
    6    HD2  TYR   1           HD2      TYR   1   4.534  -2.340  -2.689
    7    HE1  TYR   1           HE1      TYR   1   6.728   1.468  -4.900
    8    HE2  TYR   1           HE2      TYR   1   5.854  -2.704  -4.732
    9    HH   TYR   1           HH       TYR   1   6.788  -1.623  -6.538
   10    H    TYR   2           H        TYR   2   1.355   0.433  -3.843
   11    HA   TYR   2           HA       TYR   2  -0.012  -2.033  -3.792
   12    HB2  TYR   2           2HB      TYR   2  -0.739  -0.107  -5.150
   13    HB3  TYR   2           3HB      TYR   2   0.677  -0.302  -6.176
   14    HD1  TYR   2           HD2      TYR   2  -2.011  -2.543  -4.842
   15    HD2  TYR   2           HD1      TYR   2   0.218  -1.239  -8.224
   16    HE1  TYR   2           HE2      TYR   2  -3.265  -4.109  -6.265
   17    HE2  TYR   2           HE1      TYR   2  -1.031  -2.801  -9.656
   18    HH   TYR   2           HH       TYR   2  -3.853  -4.183  -8.845
   19    H    ASP   3           H        ASP   3   0.317  -3.923  -5.028
   20    HA   ASP   3           HA       ASP   3   3.131  -4.378  -5.774
   21    HB2  ASP   3           2HB      ASP   3   1.957  -5.668  -3.799
   22    HB3  ASP   3           3HB      ASP   3   1.282  -6.634  -5.108
   23    HA   PRO   4           HA       PRO   4   0.581  -4.752  -9.638
   24    HB2  PRO   4           2HB      PRO   4   2.307  -3.346 -11.192
   25    HB3  PRO   4           3HB      PRO   4   1.034  -2.580 -10.235
   26    HG2  PRO   4           2HG      PRO   4   3.947  -2.878  -9.617
   27    HG3  PRO   4           3HG      PRO   4   2.896  -1.468  -9.396
   28    HD2  PRO   4           2HD      PRO   4   3.568  -3.117  -7.357
   29    HD3  PRO   4           3HD      PRO   4   2.003  -2.283  -7.434
   30    H    GLU   5           H        GLU   5   3.787  -5.522  -8.650
   31    HA   GLU   5           HA       GLU   5   4.653  -6.826 -11.024
   32    HB2  GLU   5           2HB      GLU   5   5.564  -7.133  -8.159
   33    HB3  GLU   5           3HB      GLU   5   6.380  -7.842  -9.545
   34    HG2  GLU   5           2HG      GLU   5   6.439  -5.383 -10.408
   35    HG3  GLU   5           3HG      GLU   5   6.204  -4.990  -8.706
   36    H    THR   6           H        THR   6   2.662  -7.751  -8.347
   37    HA   THR   6           HA       THR   6   2.566 -10.510  -9.384
   38    HB   THR   6           HB       THR   6   1.514 -10.857  -6.956
   39    HG1  THR   6           HG1      THR   6   1.833  -8.609  -6.419
   40   HG21  THR   6          3HG2      THR   6   4.143 -11.167  -8.129
   41   HG22  THR   6          1HG2      THR   6   3.261 -12.246  -7.050
   42   HG23  THR   6          2HG2      THR   6   4.236 -10.937  -6.384
   43    H    GLY   7           H        GLY   7   0.629  -7.959  -7.831
   44    HA2  GLY   7           2HA      GLY   7  -1.470  -7.331  -8.922
   45    HA3  GLY   7           3HA      GLY   7  -1.719  -9.037  -9.264
   46    H    THR   8           H        THR   8  -0.752  -7.376  -6.273
   47    HA   THR   8           HA       THR   8  -3.158  -8.500  -4.992
   48    HB   THR   8           HB       THR   8  -1.550  -8.273  -2.870
   49    HG1  THR   8           HG1      THR   8   0.275  -9.095  -4.880
   50   HG21  THR   8          3HG2      THR   8  -1.648 -10.562  -4.832
   51   HG22  THR   8          1HG2      THR   8  -2.669 -10.317  -3.416
   52   HG23  THR   8          2HG2      THR   8  -0.957 -10.688  -3.215
   53    H    TRP   9           H        TRP   9  -3.964  -7.304  -3.141
   54    HA   TRP   9           HA       TRP   9  -3.275  -4.440  -3.252
   55    HB2  TRP   9           2HB      TRP   9  -5.911  -5.814  -3.330
   56    HB3  TRP   9           3HB      TRP   9  -5.813  -4.320  -2.403
   57    HD1  TRP   9           HD1      TRP   9  -6.382  -5.533  -5.833
   58    HE1  TRP   9           HE1      TRP   9  -6.280  -3.589  -7.516
   59    HE3  TRP   9           HE3      TRP   9  -4.311  -1.959  -2.820
   60    HZ2  TRP   9           HZ2      TRP   9  -5.433  -0.897  -7.561
   61    HZ3  TRP   9           HZ3      TRP   9  -3.887   0.275  -3.761
   62    HH2  TRP   9           HH2      TRP   9  -4.436   0.793  -6.083
   63    H    TYR  10           H        TYR  10  -1.759  -5.238  -1.514
   64    HA   TYR  10           HA       TYR  10  -2.836  -6.019   1.009
   65    HB2  TYR  10           2HB      TYR  10  -0.120  -5.059   0.124
   66    HB3  TYR  10           3HB      TYR  10  -0.479  -5.411   1.811
   67    HD1  TYR  10           HD1      TYR  10  -1.466  -7.780   2.292
   68    HD2  TYR  10           HD2      TYR  10   0.653  -6.758  -1.253
   69    HE1  TYR  10           HE1      TYR  10  -0.980 -10.160   1.903
   70    HE2  TYR  10           HE2      TYR  10   1.144  -9.134  -1.652
   71    HH   TYR  10           HH       TYR  10  -0.430 -11.626  -0.080
  Start of MODEL   16
    1    H1   TYR   1           H        TYR   1   0.341  -0.087   0.514
    2    HA   TYR   1           HA       TYR   1   1.929   0.597  -1.842
    3    HB2  TYR   1           2HB      TYR   1   2.948  -0.328   0.308
    4    HB3  TYR   1           3HB      TYR   1   2.219  -1.869  -0.130
    5    HD1  TYR   1           HD2      TYR   1   2.794  -2.740  -2.536
    6    HD2  TYR   1           HD1      TYR   1   5.091   0.154  -0.426
    7    HE1  TYR   1           HE2      TYR   1   4.739  -3.264  -3.947
    8    HE2  TYR   1           HE1      TYR   1   7.042  -0.361  -1.833
    9    HH   TYR   1           HH       TYR   1   7.284  -3.075  -3.718
   10    H    TYR   2           H        TYR   2   1.733  -0.387  -3.771
   11    HA   TYR   2           HA       TYR   2  -0.319  -2.487  -4.004
   12    HB2  TYR   2           2HB      TYR   2  -0.890  -0.389  -5.159
   13    HB3  TYR   2           3HB      TYR   2   0.601  -0.495  -6.089
   14    HD1  TYR   2           HD2      TYR   2  -2.205  -2.836  -5.267
   15    HD2  TYR   2           HD1      TYR   2   0.260  -1.112  -8.277
   16    HE1  TYR   2           HE2      TYR   2  -3.373  -4.164  -6.977
   17    HE2  TYR   2           HE1      TYR   2  -0.902  -2.434  -9.994
   18    HH   TYR   2           HH       TYR   2  -2.487  -3.926 -10.411
   19    H    ASP   3           H        ASP   3   0.032  -4.196  -5.500
   20    HA   ASP   3           HA       ASP   3   2.883  -4.689  -6.059
   21    HB2  ASP   3           2HB      ASP   3   0.712  -6.434  -5.024
   22    HB3  ASP   3           3HB      ASP   3   1.866  -7.170  -6.133
   23    HA   PRO   4           HA       PRO   4   0.668  -4.401 -10.132
   24    HB2  PRO   4           2HB      PRO   4   2.567  -2.869 -11.323
   25    HB3  PRO   4           3HB      PRO   4   1.239  -2.189 -10.375
   26    HG2  PRO   4           2HG      PRO   4   4.077  -2.698  -9.568
   27    HG3  PRO   4           3HG      PRO   4   3.055  -1.287  -9.235
   28    HD2  PRO   4           2HD      PRO   4   3.495  -3.233  -7.404
   29    HD3  PRO   4           3HD      PRO   4   1.969  -2.329  -7.489
   30    H    GLU   5           H        GLU   5   3.777  -5.405  -9.023
   31    HA   GLU   5           HA       GLU   5   4.749  -6.442 -11.496
   32    HB2  GLU   5           2HB      GLU   5   6.196  -5.846  -9.550
   33    HB3  GLU   5           3HB      GLU   5   5.547  -7.237  -8.693
   34    HG2  GLU   5           2HG      GLU   5   6.529  -8.752 -10.232
   35    HG3  GLU   5           3HG      GLU   5   6.963  -7.446 -11.334
   36    H    THR   6           H        THR   6   2.779  -7.693  -8.893
   37    HA   THR   6           HA       THR   6   2.491 -10.214 -10.393
   38    HB   THR   6           HB       THR   6   2.219  -9.964  -7.396
   39    HG1  THR   6           HG1      THR   6   4.430  -9.664  -8.462
   40   HG21  THR   6          3HG2      THR   6   1.083 -11.885  -7.930
   41   HG22  THR   6          1HG2      THR   6   2.717 -12.530  -7.778
   42   HG23  THR   6          2HG2      THR   6   2.049 -12.186  -9.374
   43    H    GLY   7           H        GLY   7   0.830  -8.567  -7.693
   44    HA2  GLY   7           2HA      GLY   7  -1.394  -7.551  -8.598
   45    HA3  GLY   7           3HA      GLY   7  -1.729  -9.236  -8.967
   46    H    THR   8           H        THR   8  -1.239  -6.898  -6.404
   47    HA   THR   8           HA       THR   8  -2.989  -8.390  -4.668
   48    HB   THR   8           HB       THR   8  -0.298  -7.784  -3.489
   49    HG1  THR   8           HG1      THR   8   0.326  -9.919  -3.991
   50   HG21  THR   8          3HG2      THR   8  -0.981  -9.101  -1.736
   51   HG22  THR   8          1HG2      THR   8  -2.044 -10.083  -2.744
   52   HG23  THR   8          2HG2      THR   8  -2.536  -8.459  -2.264
   53    H    TRP   9           H        TRP   9  -3.921  -7.125  -3.093
   54    HA   TRP   9           HA       TRP   9  -3.155  -4.280  -3.134
   55    HB2  TRP   9           2HB      TRP   9  -5.821  -5.642  -2.913
   56    HB3  TRP   9           3HB      TRP   9  -5.601  -4.016  -2.274
   57    HD1  TRP   9           HD1      TRP   9  -6.427  -5.804  -5.404
   58    HE1  TRP   9           HE1      TRP   9  -6.435  -4.175  -7.397
   59    HE3  TRP   9           HE3      TRP   9  -4.162  -1.793  -3.184
   60    HZ2  TRP   9           HZ2      TRP   9  -5.593  -1.539  -7.954
   61    HZ3  TRP   9           HZ3      TRP   9  -3.800   0.243  -4.517
   62    HH2  TRP   9           HH2      TRP   9  -4.501   0.365  -6.852
   63    H    TYR  10           H        TYR  10  -2.105  -6.446  -1.401
   64    HA   TYR  10           HA       TYR  10  -3.133  -6.458   1.159
   65    HB2  TYR  10           2HB      TYR  10  -1.033  -7.250   1.891
   66    HB3  TYR  10           3HB      TYR  10  -1.161  -7.787   0.220
   67    HD1  TYR  10           HD1      TYR  10  -0.271  -5.788  -1.471
   68    HD2  TYR  10           HD2      TYR  10   1.076  -6.562   2.490
   69    HE1  TYR  10           HE1      TYR  10   1.869  -4.693  -1.991
   70    HE2  TYR  10           HE2      TYR  10   3.219  -5.468   1.982
   71    HH   TYR  10           HH       TYR  10   4.114  -4.585  -1.234
  Start of MODEL   17
    1    H1   TYR   1           H        TYR   1   0.712   0.275   0.403
    2    HA   TYR   1           HA       TYR   1   1.981   0.732  -2.094
    3    HB2  TYR   1           2HB      TYR   1   3.130  -0.020   0.010
    4    HB3  TYR   1           3HB      TYR   1   2.409  -1.608  -0.229
    5    HD1  TYR   1           HD2      TYR   1   2.929  -2.799  -2.461
    6    HD2  TYR   1           HD1      TYR   1   5.180   0.491  -0.974
    7    HE1  TYR   1           HE2      TYR   1   4.812  -3.442  -3.906
    8    HE2  TYR   1           HE1      TYR   1   7.070  -0.142  -2.416
    9    HH   TYR   1           HH       TYR   1   7.653  -2.838  -3.605
   10    H    TYR   2           H        TYR   2   1.367  -0.002  -4.006
   11    HA   TYR   2           HA       TYR   2  -0.411  -2.311  -4.167
   12    HB2  TYR   2           2HB      TYR   2  -1.037  -0.267  -5.384
   13    HB3  TYR   2           3HB      TYR   2   0.458  -0.358  -6.309
   14    HD1  TYR   2           HD1      TYR   2  -2.284  -2.751  -5.425
   15    HD2  TYR   2           HD2      TYR   2   0.143  -1.049  -8.478
   16    HE1  TYR   2           HE1      TYR   2  -3.411  -4.159  -7.098
   17    HE2  TYR   2           HE2      TYR   2  -0.978  -2.452 -10.159
   18    HH   TYR   2           HH       TYR   2  -2.233  -4.676 -10.158
   19    H    ASP   3           H        ASP   3  -0.016  -4.060  -5.599
   20    HA   ASP   3           HA       ASP   3   2.846  -4.496  -6.152
   21    HB2  ASP   3           2HB      ASP   3   1.490  -5.966  -4.434
   22    HB3  ASP   3           3HB      ASP   3   0.919  -6.770  -5.893
   23    HA   PRO   4           HA       PRO   4   0.624  -4.393 -10.229
   24    HB2  PRO   4           2HB      PRO   4   2.490  -2.862 -11.472
   25    HB3  PRO   4           3HB      PRO   4   1.150  -2.179 -10.545
   26    HG2  PRO   4           2HG      PRO   4   3.998  -2.602  -9.726
   27    HG3  PRO   4           3HG      PRO   4   2.947  -1.203  -9.438
   28    HD2  PRO   4           2HD      PRO   4   3.428  -3.078  -7.545
   29    HD3  PRO   4           3HD      PRO   4   1.884  -2.209  -7.658
   30    H    GLU   5           H        GLU   5   3.748  -5.304  -9.087
   31    HA   GLU   5           HA       GLU   5   4.699  -6.428 -11.545
   32    HB2  GLU   5           2HB      GLU   5   6.476  -7.410 -10.153
   33    HB3  GLU   5           3HB      GLU   5   6.275  -5.691  -9.845
   34    HG2  GLU   5           2HG      GLU   5   5.051  -6.164  -7.814
   35    HG3  GLU   5           3HG      GLU   5   5.146  -7.894  -8.135
   36    H    THR   6           H        THR   6   2.873  -7.577  -8.796
   37    HA   THR   6           HA       THR   6   2.725 -10.240 -10.054
   38    HB   THR   6           HB       THR   6   2.169  -9.726  -7.139
   39    HG1  THR   6           HG1      THR   6   4.646 -10.640  -8.200
   40   HG21  THR   6          3HG2      THR   6   1.446 -11.845  -7.414
   41   HG22  THR   6          1HG2      THR   6   3.162 -12.245  -7.371
   42   HG23  THR   6          2HG2      THR   6   2.338 -12.062  -8.919
   43    H    GLY   7           H        GLY   7   0.821  -8.403  -7.654
   44    HA2  GLY   7           2HA      GLY   7  -1.378  -7.562  -8.684
   45    HA3  GLY   7           3HA      GLY   7  -1.608  -9.257  -9.088
   46    H    THR   8           H        THR   8  -1.124  -7.043  -6.366
   47    HA   THR   8           HA       THR   8  -3.136  -8.420  -4.837
   48    HB   THR   8           HB       THR   8  -0.388  -8.308  -3.602
   49    HG1  THR   8           HG1      THR   8  -1.606 -10.660  -4.624
   50   HG21  THR   8          3HG2      THR   8  -2.634 -10.127  -2.822
   51   HG22  THR   8          1HG2      THR   8  -2.625  -8.451  -2.276
   52   HG23  THR   8          2HG2      THR   8  -1.294  -9.525  -1.847
   53    H    TRP   9           H        TRP   9  -4.064  -7.110  -3.337
   54    HA   TRP   9           HA       TRP   9  -2.988  -4.386  -3.154
   55    HB2  TRP   9           2HB      TRP   9  -5.737  -5.554  -2.928
   56    HB3  TRP   9           3HB      TRP   9  -5.385  -4.018  -2.140
   57    HD1  TRP   9           HD1      TRP   9  -6.415  -5.428  -5.402
   58    HE1  TRP   9           HE1      TRP   9  -6.365  -3.611  -7.224
   59    HE3  TRP   9           HE3      TRP   9  -3.825  -1.816  -2.876
   60    HZ2  TRP   9           HZ2      TRP   9  -5.359  -0.993  -7.549
   61    HZ3  TRP   9           HZ3      TRP   9  -3.359   0.316  -4.014
   62    HH2  TRP   9           HH2      TRP   9  -4.111   0.716  -6.302
   63    H    TYR  10           H        TYR  10  -2.054  -6.720  -1.570
   64    HA   TYR  10           HA       TYR  10  -2.970  -6.767   1.032
   65    HB2  TYR  10           2HB      TYR  10  -0.919  -7.771   1.630
   66    HB3  TYR  10           3HB      TYR  10  -1.165  -8.214  -0.056
   67    HD1  TYR  10           HD1      TYR  10  -0.174  -6.220  -1.696
   68    HD2  TYR  10           HD2      TYR  10   1.265  -7.297   2.161
   69    HE1  TYR  10           HE1      TYR  10   2.031  -5.291  -2.265
   70    HE2  TYR  10           HE2      TYR  10   3.473  -6.369   1.603
   71    HH   TYR  10           HH       TYR  10   4.092  -4.298  -0.612
  Start of MODEL   18
    1    H1   TYR   1           H        TYR   1   0.379   0.526  -0.517
    2    HA   TYR   1           HA       TYR   1   2.420   1.149  -2.438
    3    HB2  TYR   1           2HB      TYR   1   3.732   0.591  -0.373
    4    HB3  TYR   1           3HB      TYR   1   3.024  -1.020  -0.420
    5    HD1  TYR   1           HD2      TYR   1   3.436  -2.433  -2.516
    6    HD2  TYR   1           HD1      TYR   1   5.664   1.075  -1.602
    7    HE1  TYR   1           HE2      TYR   1   5.221  -3.179  -4.034
    8    HE2  TYR   1           HE1      TYR   1   7.455   0.339  -3.119
    9    HH   TYR   1           HH       TYR   1   7.070  -2.426  -5.211
   10    H    TYR   2           H        TYR   2   1.620   0.290  -4.226
   11    HA   TYR   2           HA       TYR   2  -0.109  -2.045  -4.087
   12    HB2  TYR   2           2HB      TYR   2  -0.812  -0.127  -5.450
   13    HB3  TYR   2           3HB      TYR   2   0.638  -0.289  -6.436
   14    HD1  TYR   2           HD1      TYR   2  -2.050  -2.596  -5.220
   15    HD2  TYR   2           HD2      TYR   2   0.240  -1.182  -8.515
   16    HE1  TYR   2           HE1      TYR   2  -3.243  -4.150  -6.708
   17    HE2  TYR   2           HE2      TYR   2  -0.948  -2.730 -10.013
   18    HH   TYR   2           HH       TYR   2  -2.968  -5.238  -8.835
   19    H    ASP   3           H        ASP   3   0.211  -3.920  -5.370
   20    HA   ASP   3           HA       ASP   3   3.039  -4.416  -6.031
   21    HB2  ASP   3           2HB      ASP   3   0.980  -6.057  -4.662
   22    HB3  ASP   3           3HB      ASP   3   2.066  -6.909  -5.757
   23    HA   PRO   4           HA       PRO   4   0.616  -4.662  -9.985
   24    HB2  PRO   4           2HB      PRO   4   2.420  -3.260 -11.451
   25    HB3  PRO   4           3HB      PRO   4   1.130  -2.488 -10.522
   26    HG2  PRO   4           2HG      PRO   4   4.014  -2.856  -9.812
   27    HG3  PRO   4           3HG      PRO   4   2.983  -1.430  -9.598
   28    HD2  PRO   4           2HD      PRO   4   3.554  -3.133  -7.571
   29    HD3  PRO   4           3HD      PRO   4   2.009  -2.266  -7.684
   30    H    GLU   5           H        GLU   5   3.785  -5.497  -8.918
   31    HA   GLU   5           HA       GLU   5   4.691  -6.782 -11.288
   32    HB2  GLU   5           2HB      GLU   5   5.549  -6.715  -8.434
   33    HB3  GLU   5           3HB      GLU   5   6.159  -8.014  -9.449
   34    HG2  GLU   5           2HG      GLU   5   6.774  -6.083 -11.079
   35    HG3  GLU   5           3HG      GLU   5   6.642  -5.079  -9.637
   36    H    THR   6           H        THR   6   2.655  -7.729  -8.642
   37    HA   THR   6           HA       THR   6   2.499 -10.451  -9.764
   38    HB   THR   6           HB       THR   6   1.521 -10.933  -7.361
   39    HG1  THR   6           HG1      THR   6   2.963  -9.586  -5.900
   40   HG21  THR   6          3HG2      THR   6   4.142 -11.046  -6.675
   41   HG22  THR   6          1HG2      THR   6   4.266 -10.913  -8.429
   42   HG23  THR   6          2HG2      THR   6   3.339 -12.228  -7.707
   43    H    GLY   7           H        GLY   7   0.519  -8.402  -7.609
   44    HA2  GLY   7           2HA      GLY   7  -1.571  -7.516  -8.752
   45    HA3  GLY   7           3HA      GLY   7  -1.830  -9.192  -9.213
   46    H    THR   8           H        THR   8  -1.282  -7.191  -6.321
   47    HA   THR   8           HA       THR   8  -3.542  -8.444  -5.015
   48    HB   THR   8           HB       THR   8  -0.934  -8.541  -3.524
   49    HG1  THR   8           HG1      THR   8  -0.694  -9.841  -5.405
   50   HG21  THR   8          3HG2      THR   8  -3.017 -10.555  -3.074
   51   HG22  THR   8          1HG2      THR   8  -3.522  -8.902  -2.727
   52   HG23  THR   8          2HG2      THR   8  -2.112  -9.583  -1.915
   53    H    TRP   9           H        TRP   9  -4.454  -7.162  -3.465
   54    HA   TRP   9           HA       TRP   9  -3.207  -4.528  -3.088
   55    HB2  TRP   9           2HB      TRP   9  -6.043  -5.471  -3.197
   56    HB3  TRP   9           3HB      TRP   9  -5.662  -4.029  -2.259
   57    HD1  TRP   9           HD1      TRP   9  -6.404  -5.136  -5.723
   58    HE1  TRP   9           HE1      TRP   9  -6.053  -3.194  -7.376
   59    HE3  TRP   9           HE3      TRP   9  -3.947  -1.880  -2.641
   60    HZ2  TRP   9           HZ2      TRP   9  -4.888  -0.623  -7.374
   61    HZ3  TRP   9           HZ3      TRP   9  -3.248   0.299  -3.544
   62    HH2  TRP   9           HH2      TRP   9  -3.710   0.913  -5.862
   63    H    TYR  10           H        TYR  10  -2.613  -7.003  -1.555
   64    HA   TYR  10           HA       TYR  10  -3.766  -7.092   0.950
   65    HB2  TYR  10           2HB      TYR  10  -1.864  -8.289   1.673
   66    HB3  TYR  10           3HB      TYR  10  -1.987  -8.633  -0.049
   67    HD1  TYR  10           HD1      TYR  10  -0.695  -6.657  -1.488
   68    HD2  TYR  10           HD2      TYR  10   0.292  -8.021   2.419
   69    HE1  TYR  10           HE1      TYR  10   1.618  -5.889  -1.811
   70    HE2  TYR  10           HE2      TYR  10   2.609  -7.255   2.107
   71    HH   TYR  10           HH       TYR  10   4.132  -6.857  -0.106
  Start of MODEL   19
    1    H1   TYR   1           H        TYR   1   1.133   0.520   0.556
    2    HA   TYR   1           HA       TYR   1   1.950   1.486  -2.075
    3    HB2  TYR   1           2HB      TYR   1   3.603   0.800  -0.255
    4    HB3  TYR   1           3HB      TYR   1   3.113  -0.860  -0.577
    5    HD1  TYR   1           HD1      TYR   1   4.461   2.167  -2.284
    6    HD2  TYR   1           HD2      TYR   1   4.189  -2.078  -2.242
    7    HE1  TYR   1           HE1      TYR   1   6.091   2.051  -4.122
    8    HE2  TYR   1           HE2      TYR   1   5.820  -2.207  -4.079
    9    HH   TYR   1           HH       TYR   1   6.606  -0.692  -5.950
   10    H    TYR   2           H        TYR   2   1.979   0.143  -3.921
   11    HA   TYR   2           HA       TYR   2   0.027  -2.062  -3.809
   12    HB2  TYR   2           2HB      TYR   2  -0.727  -0.142  -5.149
   13    HB3  TYR   2           3HB      TYR   2   0.720  -0.263  -6.143
   14    HD1  TYR   2           HD2      TYR   2  -1.925  -2.624  -4.936
   15    HD2  TYR   2           HD1      TYR   2   0.346  -1.164  -8.224
   16    HE1  TYR   2           HE2      TYR   2  -3.089  -4.193  -6.429
   17    HE2  TYR   2           HE1      TYR   2  -0.813  -2.729  -9.727
   18    HH   TYR   2           HH       TYR   2  -3.609  -4.221  -9.024
   19    H    ASP   3           H        ASP   3   0.409  -3.921  -5.081
   20    HA   ASP   3           HA       ASP   3   3.246  -4.316  -5.776
   21    HB2  ASP   3           2HB      ASP   3   2.478  -6.830  -5.474
   22    HB3  ASP   3           3HB      ASP   3   2.947  -5.850  -4.088
   23    HA   PRO   4           HA       PRO   4   0.793  -4.642  -9.704
   24    HB2  PRO   4           2HB      PRO   4   2.536  -3.183 -11.188
   25    HB3  PRO   4           3HB      PRO   4   1.232  -2.453 -10.246
   26    HG2  PRO   4           2HG      PRO   4   4.134  -2.729  -9.566
   27    HG3  PRO   4           3HG      PRO   4   3.059  -1.336  -9.341
   28    HD2  PRO   4           2HD      PRO   4   3.705  -3.020  -7.320
   29    HD3  PRO   4           3HD      PRO   4   2.132  -2.204  -7.417
   30    H    GLU   5           H        GLU   5   3.989  -5.387  -8.662
   31    HA   GLU   5           HA       GLU   5   4.879  -6.666 -11.056
   32    HB2  GLU   5           2HB      GLU   5   6.370  -5.764  -9.233
   33    HB3  GLU   5           3HB      GLU   5   5.884  -7.136  -8.248
   34    HG2  GLU   5           2HG      GLU   5   7.926  -7.766  -9.173
   35    HG3  GLU   5           3HG      GLU   5   6.720  -8.597 -10.154
   36    H    THR   6           H        THR   6   2.964  -7.616  -8.332
   37    HA   THR   6           HA       THR   6   3.050 -10.424  -9.210
   38    HB   THR   6           HB       THR   6   2.069  -9.300  -6.578
   39    HG1  THR   6           HG1      THR   6   4.037 -10.678  -5.958
   40   HG21  THR   6          3HG2      THR   6   0.897 -11.253  -6.670
   41   HG22  THR   6          1HG2      THR   6   2.431 -11.898  -6.088
   42   HG23  THR   6          2HG2      THR   6   2.024 -12.004  -7.800
   43    H    GLY   7           H        GLY   7   0.637  -8.311  -7.635
   44    HA2  GLY   7           2HA      GLY   7  -1.315  -7.748  -9.160
   45    HA3  GLY   7           3HA      GLY   7  -1.387  -9.482  -9.437
   46    H    THR   8           H        THR   8  -1.013  -7.465  -6.521
   47    HA   THR   8           HA       THR   8  -3.529  -8.535  -5.489
   48    HB   THR   8           HB       THR   8  -1.289  -8.515  -3.542
   49    HG1  THR   8           HG1      THR   8  -1.663 -10.664  -5.377
   50   HG21  THR   8          3HG2      THR   8  -2.574 -10.705  -2.958
   51   HG22  THR   8          1HG2      THR   8  -3.824 -10.036  -4.007
   52   HG23  THR   8          2HG2      THR   8  -3.301  -9.144  -2.579
   53    H    TRP   9           H        TRP   9  -4.032  -7.474  -3.300
   54    HA   TRP   9           HA       TRP   9  -3.081  -4.687  -3.302
   55    HB2  TRP   9           2HB      TRP   9  -5.852  -5.754  -3.385
   56    HB3  TRP   9           3HB      TRP   9  -5.568  -4.359  -2.347
   57    HD1  TRP   9           HD1      TRP   9  -6.378  -5.209  -5.830
   58    HE1  TRP   9           HE1      TRP   9  -6.096  -3.160  -7.362
   59    HE3  TRP   9           HE3      TRP   9  -3.792  -2.162  -2.642
   60    HZ2  TRP   9           HZ2      TRP   9  -4.931  -0.592  -7.236
   61    HZ3  TRP   9           HZ3      TRP   9  -3.131   0.075  -3.425
   62    HH2  TRP   9           HH2      TRP   9  -3.689   0.842  -5.675
   63    H    TYR  10           H        TYR  10  -1.621  -5.226  -1.623
   64    HA   TYR  10           HA       TYR  10  -2.851  -5.169   1.006
   65    HB2  TYR  10           2HB      TYR  10  -1.805  -7.101   1.873
   66    HB3  TYR  10           3HB      TYR  10  -2.489  -7.609   0.333
   67    HD1  TYR  10           HD2      TYR  10  -0.702  -7.068  -1.705
   68    HD2  TYR  10           HD1      TYR  10   0.252  -8.015   2.332
   69    HE1  TYR  10           HE2      TYR  10   1.507  -7.877  -2.422
   70    HE2  TYR  10           HE1      TYR  10   2.464  -8.825   1.626
   71    HH   TYR  10           HH       TYR  10   3.812  -8.157  -1.320
  Start of MODEL   20
    1    H1   TYR   1           H        TYR   1   0.109   0.492   0.044
    2    HA   TYR   1           HA       TYR   1   1.757   1.254  -2.235
    3    HB2  TYR   1           2HB      TYR   1   2.500   0.037  -0.007
    4    HB3  TYR   1           3HB      TYR   1   2.003  -1.402  -0.891
    5    HD1  TYR   1           HD2      TYR   1   4.221   1.575  -1.118
    6    HD2  TYR   1           HD1      TYR   1   3.447  -2.394  -2.441
    7    HE1  TYR   1           HE2      TYR   1   6.393   1.542  -2.271
    8    HE2  TYR   1           HE1      TYR   1   5.618  -2.438  -3.597
    9    HH   TYR   1           HH       TYR   1   7.645  -1.381  -3.748
   10    H    TYR   2           H        TYR   2   2.226  -0.561  -3.844
   11    HA   TYR   2           HA       TYR   2  -0.009  -2.330  -4.377
   12    HB2  TYR   2           2HB      TYR   2  -0.289   0.109  -5.433
   13    HB3  TYR   2           3HB      TYR   2   0.736  -0.595  -6.678
   14    HD1  TYR   2           HD2      TYR   2  -0.132  -3.241  -7.095
   15    HD2  TYR   2           HD1      TYR   2  -2.499   0.143  -6.071
   16    HE1  TYR   2           HE2      TYR   2  -2.097  -4.315  -8.112
   17    HE2  TYR   2           HE1      TYR   2  -4.471  -0.922  -7.084
   18    HH   TYR   2           HH       TYR   2  -4.376  -4.233  -8.247
   19    H    ASP   3           H        ASP   3   0.794  -4.200  -5.038
   20    HA   ASP   3           HA       ASP   3   3.418  -4.209  -6.377
   21    HB2  ASP   3           2HB      ASP   3   2.242  -5.911  -4.263
   22    HB3  ASP   3           3HB      ASP   3   3.159  -6.759  -5.504
   23    HA   PRO   4           HA       PRO   4   0.300  -5.726  -9.459
   24    HB2  PRO   4           2HB      PRO   4   1.334  -4.323 -11.541
   25    HB3  PRO   4           3HB      PRO   4   0.143  -3.646 -10.424
   26    HG2  PRO   4           2HG      PRO   4   3.116  -3.296 -10.464
   27    HG3  PRO   4           3HG      PRO   4   1.850  -2.085 -10.191
   28    HD2  PRO   4           2HD      PRO   4   3.258  -3.201  -8.166
   29    HD3  PRO   4           3HD      PRO   4   1.566  -2.693  -7.986
   30    H    GLU   5           H        GLU   5   3.736  -5.691  -9.173
   31    HA   GLU   5           HA       GLU   5   4.582  -7.014 -11.446
   32    HB2  GLU   5           2HB      GLU   5   6.417  -7.933  -9.995
   33    HB3  GLU   5           3HB      GLU   5   6.205  -6.190  -9.903
   34    HG2  GLU   5           2HG      GLU   5   4.893  -6.514  -7.823
   35    HG3  GLU   5           3HG      GLU   5   5.280  -8.232  -7.897
   36    H    THR   6           H        THR   6   3.015  -8.301  -8.579
   37    HA   THR   6           HA       THR   6   3.067 -10.987  -9.785
   38    HB   THR   6           HB       THR   6   2.203 -10.609  -6.960
   39    HG1  THR   6           HG1      THR   6   4.521 -10.760  -6.408
   40   HG21  THR   6          3HG2      THR   6   2.140 -12.837  -7.568
   41   HG22  THR   6          1HG2      THR   6   3.751 -12.717  -6.864
   42   HG23  THR   6          2HG2      THR   6   3.551 -12.700  -8.616
   43    H    GLY   7           H        GLY   7   1.031  -8.394  -8.705
   44    HA2  GLY   7           2HA      GLY   7  -1.172  -8.196  -9.685
   45    HA3  GLY   7           3HA      GLY   7  -1.313  -9.945  -9.596
   46    H    THR   8           H        THR   8  -0.319  -7.553  -7.162
   47    HA   THR   8           HA       THR   8  -2.637  -8.356  -5.537
   48    HB   THR   8           HB       THR   8  -0.535  -7.693  -3.760
   49    HG1  THR   8           HG1      THR   8   0.227  -9.776  -5.546
   50   HG21  THR   8          3HG2      THR   8  -2.058 -10.187  -4.447
   51   HG22  THR   8          1HG2      THR   8  -2.202  -9.156  -3.024
   52   HG23  THR   8          2HG2      THR   8  -0.795 -10.202  -3.216
   53    H    TRP   9           H        TRP   9  -3.087  -6.804  -3.750
   54    HA   TRP   9           HA       TRP   9  -2.726  -4.071  -4.739
   55    HB2  TRP   9           2HB      TRP   9  -4.965  -5.401  -3.827
   56    HB3  TRP   9           3HB      TRP   9  -4.497  -4.428  -2.436
   57    HD1  TRP   9           HD1      TRP   9  -6.474  -4.211  -5.512
   58    HE1  TRP   9           HE1      TRP   9  -7.043  -1.764  -6.074
   59    HE3  TRP   9           HE3      TRP   9  -3.212  -1.873  -2.345
   60    HZ2  TRP   9           HZ2      TRP   9  -6.217   0.816  -5.279
   61    HZ3  TRP   9           HZ3      TRP   9  -3.164   0.587  -2.307
   62    HH2  TRP   9           HH2      TRP   9  -4.636   1.902  -3.745
   63    H    TYR  10           H        TYR  10  -2.581  -5.887  -1.679
   64    HA   TYR  10           HA       TYR  10  -1.645  -3.889  -0.021
   65    HB2  TYR  10           2HB      TYR  10  -1.058  -5.566   1.491
   66    HB3  TYR  10           3HB      TYR  10  -2.287  -6.348   0.504
   67    HD1  TYR  10           HD2      TYR  10  -0.935  -7.236  -1.851
   68    HD2  TYR  10           HD1      TYR  10   0.515  -7.120   2.147
   69    HE1  TYR  10           HE2      TYR  10   0.637  -9.054  -2.375
   70    HE2  TYR  10           HE1      TYR  10   2.091  -8.937   1.635
   71    HH   TYR  10           HH       TYR  10   3.021  -9.795  -1.285