*HEADER    PROTEIN FIBRIL                          05-APR-17   5XER              
*TITLE     TK9 NMR STRUCTURE IN DPC MICELLE                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: THR-VAL-TYR-VAL-TYR-SER-ARG-VAL-LYS;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS;                               
*SOURCE   4 ORGANISM_TAXID: 227859                                               
*KEYWDS    CYANA 2.1, PROTEIN FIBRIL                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.GHOSH,A.BHUNIA                                                      
*REVDAT   1   18-APR-18 5XER    0                                                
# Restraints file 1: TK9_DPC.seq
THR
VAL
TYR
VAL
TYR
SER
ARG
VAL
LYS
# Restraints file 2: TK9_DPC.aco
# Torsion angle constraints 
# generated from HA secondary chemical shifts			
   1 THR   PSI  -40   -20
   2 VAL   PHI  -80   -60
   2 VAL   PSI  -40   -20
   3 TYR   PHI  -80   -60
   3 TYR   PSI  -40   -20
   4 VAL   PHI  -80   -60
   4 VAL   PSI  -40   -20
   5 TYR   PHI  -80   -60
   5 TYR   PSI  -40   -20
   6 SER   PHI  -80   -60
   6 SER   PSI  -40   -20
   7 ARG   PHI  -80   -60
   7 ARG   PSI  -40   -20
   8 VAL   PHI  -80   -60
   8 VAL   PSI  -40   -20
   9 LYS   PHI  -80   -60
  
# Restraints file 3: TK9_DPC.upl
1 THR HB	1 THR H		3.2	2.0
1 THR QG2	1 THR H		3.8	2.0
1 THR HA	2 VAL H		3.2	2.0
2 VAL HB	2 VAL H		3.0	2.0
2 VAL QG1	2 VAL H		3.6	2.0
2 VAL QG2	2 VAL H		3.6	2.0
1 THR QG2	2 VAL H		4.5	2.0
2 VAL HA	3 TYR H		3.2	2.0
2 VAL HB	3 TYR H		3.0	2.0
2 VAL QG1	3 TYR H		3.7	2.0
2 VAL QG2	3 TYR H		3.7	2.0
3 TYR QB	3 TYR H		3.0	2.0
4 VAL QG1	3 TYR H		5.1	2.0
4 VAL QG2	3 TYR H		5.1	2.0
3 TYR HA	4 VAL H		3.4	2.0
3 TYR QB	4 VAL H		3.3	2.0
4 VAL HB	4 VAL H		3.5	2.0
4 VAL QG1	4 VAL H		3.6	2.0
4 VAL QG2	4 VAL H		3.6	2.0
2 VAL HA	4 VAL H		3.8	2.0
4 VAL HA	5 TYR H		3.5	2.0
5 TYR QB	5 TYR H	     	3.4	2.0
4 VAL HB	5 TYR H		3.4	2.0
4 VAL QG1	5 TYR H		4.1	2.0
4 VAL QG2	5 TYR H		4.1	2.0
2 VAL HA	5 TYR H		3.1	2.0
3 TYR HA	5 TYR H		4.5	2.0
2 VAL QG1	5 TYR H		4.6	2.0
2 VAL QG2	5 TYR H		4.6	2.0
5 TYR HA	6 SER H		3.3	2.0
6 SER QB	6 SER H		3.0	2.0
5 TYR QB	6 SER H		3.0	2.0
3 TYR HA	6 SER H		3.7	2.0
2 VAL HA	6 SER H		3.8	2.0
4 VAL HA	6 SER H		4.1	2.0
3 TYR QB	6 SER H		5.1	2.0
2 VAL HB	6 SER H		4.6	2.0
2 VAL QG1	6 SER H		3.4	2.0
6 SER HA	7 ARG H		3.4	2.0
7 ARG QB	7 ARG H		3.0	2.0
7 ARG QG	7 ARG H		3.4	2.0
7 ARG QD	7 ARG H		4.3 	2.0
6 SER QB	7 ARG H		3.0 	2.0
4 VAL HA	7 ARG H		3.3	2.0
4 VAL HB	7 ARG H		4.8	2.0
4 VAL QG1	7 ARG H		4.7	2.0
4 VAL QG2	7 ARG H		4.7	2.0
7 ARG HA	8 VAL H		3.4	2.0
5 TYR HA	8 VAL H		3.5	2.0
6 SER HA	8 VAL H		4.4	2.0
8 VAL HB	8 VAL H		3.0	2.0
8 VAL QG1	8 VAL H		3.6	2.0
8 VAL QG2	8 VAL H		3.6	2.0
7 ARG QB	8 VAL H		3.0	2.0
7 ARG QG	8 VAL H		3.4	2.0
7 ARG QD	8 VAL H		4.0 	2.0
4 VAL HB	8 VAL H		4.4	2.0
8 VAL HA	9 LYS H		3.4	2.0
9 LYS QB 	9 LYS H		3.0	2.0
9 LYS QG	9 LYS H		3.6	2.0
9 LYS QD	9 LYS H		3.8	2.0
8 VAL HB	9 LYS H		3.0	2.0
8 VAL QG1	9 LYS H		3.8	2.0
8 VAL QG2	9 LYS H		3.8	2.0
5 TYR HA	9 LYS H		3.7	2.0
7 ARG HA	9 LYS H		4.0	2.0
6 SER HA	9 LYS H		3.5	2.0
1 THR H		2 VAL H		2.8	2.0
2 VAL H		3 TYR H		2.8	2.0
3 TYR H		4 VAL H		2.8	2.0
4 VAL H		5 TYR H		2.8	2.0
5 TYR H		6 SER H		2.8	2.0
6 SER H		7 ARG H		2.8	2.0
7 ARG H		8 VAL H		2.8	2.0
8 VAL H		9 LYS H		2.8	2.0
1 THR H		3 TYR H		4.2	2.0
3 TYR H		5 TYR H		4.0	2.0
5 TYR H		7 ARG H		4.0	2.0
3 TYR QD	5 TYR QD	4.9	2.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           H        THR   1   1.806   0.001   0.856
    2    HA   THR   1           HA       THR   1   1.442   0.337  -2.034
    3    HB   THR   1           HB       THR   1   4.166   0.400  -0.855
    4    HG1  THR   1           HG1      THR   1   2.090   2.131  -0.126
    5   HG21  THR   1          1HG2      THR   1   2.643   1.897  -2.971
    6   HG22  THR   1          2HG2      THR   1   4.066   0.872  -3.154
    7   HG23  THR   1          3HG2      THR   1   4.212   2.453  -2.388
    8    H    VAL   2           H        VAL   2   1.631  -2.159   0.001
    9    HA   VAL   2           HA       VAL   2   3.639  -3.750  -1.335
   10    HB   VAL   2           HB       VAL   2   1.550  -4.776   0.577
   11   HG11  VAL   2          1HG1      VAL   2   4.379  -5.693   0.089
   12   HG12  VAL   2          2HG1      VAL   2   3.136  -6.504   1.045
   13   HG13  VAL   2          3HG1      VAL   2   2.965  -6.386  -0.706
   14   HG21  VAL   2          1HG2      VAL   2   4.197  -3.498   1.254
   15   HG22  VAL   2          2HG2      VAL   2   2.601  -2.838   1.610
   16   HG23  VAL   2          3HG2      VAL   2   3.135  -4.324   2.394
   17    H    TYR   3           H        TYR   3   0.266  -3.131  -1.656
   18    HA   TYR   3           HA       TYR   3  -0.797  -5.404  -2.723
   19    HB2  TYR   3          2HB       TYR   3  -2.370  -4.029  -3.897
   20    HB3  TYR   3          3HB       TYR   3  -1.974  -3.207  -2.392
   21    HD1  TYR   3           HD1      TYR   3  -2.421  -2.766  -5.825
   22    HD2  TYR   3           HD2      TYR   3   0.071  -1.503  -2.616
   23    HE1  TYR   3           HE1      TYR   3  -1.819  -0.748  -7.095
   24    HE2  TYR   3           HE2      TYR   3   0.679   0.519  -3.876
   25    HH   TYR   3           HH       TYR   3   0.242   1.762  -5.685
   26    H    VAL   4           H        VAL   4   1.340  -3.100  -4.322
   27    HA   VAL   4           HA       VAL   4   1.177  -4.363  -6.887
   28    HB   VAL   4           HB       VAL   4   3.315  -2.962  -7.292
   29   HG11  VAL   4          1HG1      VAL   4   0.522  -2.279  -7.167
   30   HG12  VAL   4          2HG1      VAL   4   1.525  -0.862  -6.850
   31   HG13  VAL   4          3HG1      VAL   4   1.746  -1.785  -8.337
   32   HG21  VAL   4          1HG2      VAL   4   2.530  -1.164  -5.132
   33   HG22  VAL   4          2HG2      VAL   4   3.222  -2.683  -4.562
   34   HG23  VAL   4          3HG2      VAL   4   4.136  -1.658  -5.668
   35    H    TYR   5           H        TYR   5   3.424  -4.474  -4.167
   36    HA   TYR   5           HA       TYR   5   5.464  -5.960  -5.370
   37    HB2  TYR   5          2HB       TYR   5   4.550  -5.681  -2.517
   38    HB3  TYR   5          3HB       TYR   5   5.895  -6.732  -2.946
   39    HD1  TYR   5           HD1      TYR   5   4.718  -3.215  -3.356
   40    HD2  TYR   5           HD2      TYR   5   8.041  -5.853  -3.035
   41    HE1  TYR   5           HE1      TYR   5   6.238  -1.283  -3.294
   42    HE2  TYR   5           HE2      TYR   5   9.570  -3.928  -2.972
   43    HH   TYR   5           HH       TYR   5   8.442  -0.665  -3.543
   44    H    SER   6           H        SER   6   2.359  -6.912  -4.136
   45    HA   SER   6           HA       SER   6   3.022  -9.744  -4.221
   46    HB2  SER   6          2HB       SER   6   1.557  -8.773  -2.422
   47    HB3  SER   6          3HB       SER   6   0.337  -8.467  -3.659
   48    HG   SER   6           HG       SER   6   1.443 -11.021  -3.108
   49    H    ARG   7           H        ARG   7   1.399  -7.332  -6.125
   50    HA   ARG   7           HA       ARG   7   0.023  -9.183  -7.829
   51    HB2  ARG   7          2HB       ARG   7  -1.095  -7.301  -8.271
   52    HB3  ARG   7          3HB       ARG   7   0.134  -6.335  -7.466
   53    HG2  ARG   7          2HG       ARG   7   1.438  -6.277  -9.537
   54    HG3  ARG   7          3HG       ARG   7   0.188  -7.228 -10.341
   55    HD2  ARG   7          2HD       ARG   7  -1.095  -5.041  -9.096
   56    HD3  ARG   7          3HD       ARG   7   0.320  -4.404  -9.934
   57    HE   ARG   7           HE       ARG   7  -2.064  -5.446 -11.125
   58   HH11  ARG   7          1HH1      ARG   7   1.357  -4.982 -11.579
   59   HH12  ARG   7          2HH1      ARG   7   1.261  -4.988 -13.309
   60   HH21  ARG   7          1HH2      ARG   7  -2.203  -5.456 -13.402
   61   HH22  ARG   7          2HH2      ARG   7  -0.765  -5.256 -14.345
   62    H    VAL   8           H        VAL   8   3.014  -7.303  -8.032
   63    HA   VAL   8           HA       VAL   8   3.734  -7.770 -10.654
   64    HB   VAL   8           HB       VAL   8   5.546  -7.654  -8.240
   65   HG11  VAL   8          1HG1      VAL   8   7.028  -6.711 -10.297
   66   HG12  VAL   8          2HG1      VAL   8   7.087  -8.376  -9.715
   67   HG13  VAL   8          3HG1      VAL   8   6.093  -7.964 -11.113
   68   HG21  VAL   8          1HG2      VAL   8   5.584  -5.332  -9.916
   69   HG22  VAL   8          2HG2      VAL   8   3.925  -5.692  -9.438
   70   HG23  VAL   8          3HG2      VAL   8   5.168  -5.465  -8.208
   71    H    LYS   9           H        LYS   9   4.992  -9.650  -7.893
   72    HA   LYS   9           HA       LYS   9   6.141 -11.701  -9.356
   73    HB2  LYS   9          2HB       LYS   9   5.067 -11.507  -6.569
   74    HB3  LYS   9          3HB       LYS   9   5.583 -13.072  -7.182
   75    HG2  LYS   9          2HG       LYS   9   7.438 -12.195  -6.050
   76    HG3  LYS   9          3HG       LYS   9   7.784 -11.961  -7.765
   77    HD2  LYS   9          2HD       LYS   9   7.706  -9.712  -7.602
   78    HD3  LYS   9          3HD       LYS   9   6.368  -9.739  -6.452
   79    HE2  LYS   9          2HE       LYS   9   8.818 -10.819  -5.327
   80    HE3  LYS   9          3HE       LYS   9   9.017  -9.161  -5.890
   81    HZ1  LYS   9          1HZ       LYS   9   6.855  -8.739  -4.610
   82    HZ2  LYS   9          2HZ       LYS   9   8.284  -8.917  -3.724
   83    HZ3  LYS   9          3HZ       LYS   9   7.186 -10.200  -3.825
  Start of MODEL    2
    1    H1   THR   1           H        THR   1   1.686  -0.237   0.884
    2    HA   THR   1           HA       THR   1   1.361   0.220  -1.994
    3    HB   THR   1           HB       THR   1   4.055   0.369  -0.758
    4    HG1  THR   1           HG1      THR   1   2.130   2.432  -0.360
    5   HG21  THR   1          1HG2      THR   1   3.745   2.626  -2.170
    6   HG22  THR   1          2HG2      THR   1   2.524   1.628  -2.959
    7   HG23  THR   1          3HG2      THR   1   4.203   1.092  -2.908
    8    H    VAL   2           H        VAL   2   1.647  -2.358  -0.076
    9    HA   VAL   2           HA       VAL   2   3.763  -3.774  -1.443
   10    HB   VAL   2           HB       VAL   2   1.696  -5.002   0.371
   11   HG11  VAL   2          1HG1      VAL   2   3.226  -6.466  -0.957
   12   HG12  VAL   2          2HG1      VAL   2   4.581  -5.742  -0.089
   13   HG13  VAL   2          3HG1      VAL   2   3.361  -6.664   0.789
   14   HG21  VAL   2          1HG2      VAL   2   3.221  -4.556   2.242
   15   HG22  VAL   2          2HG2      VAL   2   4.256  -3.616   1.167
   16   HG23  VAL   2          3HG2      VAL   2   2.619  -3.064   1.520
   17    H    TYR   3           H        TYR   3   0.367  -3.320  -1.806
   18    HA   TYR   3           HA       TYR   3  -0.551  -5.592  -3.003
   19    HB2  TYR   3          2HB       TYR   3  -2.173  -4.248  -4.143
   20    HB3  TYR   3          3HB       TYR   3  -1.850  -3.480  -2.593
   21    HD1  TYR   3           HD1      TYR   3   0.102  -1.660  -2.691
   22    HD2  TYR   3           HD2      TYR   3  -2.258  -2.895  -6.008
   23    HE1  TYR   3           HE1      TYR   3   0.624   0.451  -3.840
   24    HE2  TYR   3           HE2      TYR   3  -1.742  -0.788  -7.167
   25    HH   TYR   3           HH       TYR   3   0.409   1.632  -5.709
   26    H    VAL   4           H        VAL   4   1.488  -3.102  -4.445
   27    HA   VAL   4           HA       VAL   4   1.442  -4.246  -7.070
   28    HB   VAL   4           HB       VAL   4   3.507  -2.713  -7.362
   29   HG11  VAL   4          1HG1      VAL   4   0.678  -2.188  -7.263
   30   HG12  VAL   4          2HG1      VAL   4   1.596  -0.736  -6.859
   31   HG13  VAL   4          3HG1      VAL   4   1.894  -1.574  -8.383
   32   HG21  VAL   4          1HG2      VAL   4   3.348  -2.573  -4.627
   33   HG22  VAL   4          2HG2      VAL   4   4.226  -1.447  -5.662
   34   HG23  VAL   4          3HG2      VAL   4   2.587  -1.066  -5.136
   35    H    TYR   5           H        TYR   5   3.640  -4.368  -4.310
   36    HA   TYR   5           HA       TYR   5   5.782  -5.680  -5.538
   37    HB2  TYR   5          2HB       TYR   5   4.797  -5.591  -2.696
   38    HB3  TYR   5          3HB       TYR   5   6.205  -6.547  -3.144
   39    HD1  TYR   5           HD1      TYR   5   4.849  -3.081  -3.416
   40    HD2  TYR   5           HD2      TYR   5   8.302  -5.551  -3.138
   41    HE1  TYR   5           HE1      TYR   5   6.260  -1.076  -3.228
   42    HE2  TYR   5           HE2      TYR   5   9.723  -3.553  -2.947
   43    HH   TYR   5           HH       TYR   5   8.802  -0.557  -3.777
   44    H    SER   6           H        SER   6   2.710  -6.859  -4.420
   45    HA   SER   6           HA       SER   6   3.531  -9.643  -4.626
   46    HB2  SER   6          2HB       SER   6   1.333  -8.188  -3.384
   47    HB3  SER   6          3HB       SER   6   0.773  -9.604  -4.273
   48    HG   SER   6           HG       SER   6   1.332 -10.541  -2.450
   49    H    ARG   7           H        ARG   7   1.817  -7.231  -6.450
   50    HA   ARG   7           HA       ARG   7   0.579  -9.067  -8.271
   51    HB2  ARG   7          2HB       ARG   7  -0.631  -7.230  -8.648
   52    HB3  ARG   7          3HB       ARG   7   0.526  -6.239  -7.769
   53    HG2  ARG   7          2HG       ARG   7   1.867  -6.009  -9.805
   54    HG3  ARG   7          3HG       ARG   7   0.687  -6.985 -10.682
   55    HD2  ARG   7          2HD       ARG   7  -0.753  -4.946  -9.375
   56    HD3  ARG   7          3HD       ARG   7   0.653  -4.179 -10.112
   57    HE   ARG   7           HE       ARG   7  -0.228  -4.615 -12.189
   58   HH11  ARG   7          1HH1      ARG   7  -1.989  -6.399  -9.773
   59   HH12  ARG   7          2HH1      ARG   7  -3.244  -6.889 -10.862
   60   HH21  ARG   7          1HH2      ARG   7  -1.875  -5.254 -13.633
   61   HH22  ARG   7          2HH2      ARG   7  -3.178  -6.238 -13.058
   62    H    VAL   8           H        VAL   8   3.466  -7.022  -8.314
   63    HA   VAL   8           HA       VAL   8   4.264  -7.318 -10.939
   64    HB   VAL   8           HB       VAL   8   6.018  -7.225  -8.481
   65   HG11  VAL   8          1HG1      VAL   8   7.498  -6.106 -10.438
   66   HG12  VAL   8          2HG1      VAL   8   7.614  -7.803  -9.968
   67   HG13  VAL   8          3HG1      VAL   8   6.636  -7.337 -11.360
   68   HG21  VAL   8          1HG2      VAL   8   6.016  -4.812  -9.975
   69   HG22  VAL   8          2HG2      VAL   8   4.339  -5.284  -9.698
   70   HG23  VAL   8          3HG2      VAL   8   5.437  -5.087  -8.332
   71    H    LYS   9           H        LYS   9   5.567  -9.262  -8.244
   72    HA   LYS   9           HA       LYS   9   6.654 -11.236  -9.978
   73    HB2  LYS   9          2HB       LYS   9   7.195 -12.458  -7.954
   74    HB3  LYS   9          3HB       LYS   9   7.566 -10.753  -7.733
   75    HG2  LYS   9          2HG       LYS   9   5.192 -10.647  -6.681
   76    HG3  LYS   9          3HG       LYS   9   5.395 -12.392  -6.509
   77    HD2  LYS   9          2HD       LYS   9   7.493 -12.008  -5.284
   78    HD3  LYS   9          3HD       LYS   9   7.249 -10.266  -5.431
   79    HE2  LYS   9          2HE       LYS   9   4.861 -11.246  -4.380
   80    HE3  LYS   9          3HE       LYS   9   6.126 -12.136  -3.534
   81    HZ1  LYS   9          1HZ       LYS   9   6.394 -10.356  -2.267
   82    HZ2  LYS   9          2HZ       LYS   9   5.318  -9.444  -3.200
   83    HZ3  LYS   9          3HZ       LYS   9   6.957  -9.502  -3.614
  Start of MODEL    3
    1    H1   THR   1           H        THR   1   1.841  -0.093   0.904
    2    HA   THR   1           HA       THR   1   1.391   0.281  -1.969
    3    HB   THR   1           HB       THR   1   4.143   0.391  -0.861
    4    HG1  THR   1           HG1      THR   1   2.448   2.631  -0.527
    5   HG21  THR   1          1HG2      THR   1   2.568   2.075  -2.812
    6   HG22  THR   1          2HG2      THR   1   3.769   0.845  -3.208
    7   HG23  THR   1          3HG2      THR   1   4.263   2.332  -2.399
    8    H    VAL   2           H        VAL   2   1.695  -2.243   0.016
    9    HA   VAL   2           HA       VAL   2   3.703  -3.762  -1.400
   10    HB   VAL   2           HB       VAL   2   1.691  -4.871   0.548
   11   HG11  VAL   2          1HG1      VAL   2   3.332  -6.565   0.945
   12   HG12  VAL   2          2HG1      VAL   2   3.108  -6.425  -0.800
   13   HG13  VAL   2          3HG1      VAL   2   4.527  -5.711  -0.031
   14   HG21  VAL   2          1HG2      VAL   2   2.724  -2.927   1.585
   15   HG22  VAL   2          2HG2      VAL   2   3.315  -4.412   2.330
   16   HG23  VAL   2          3HG2      VAL   2   4.326  -3.542   1.178
   17    H    TYR   3           H        TYR   3   0.308  -3.220  -1.620
   18    HA   TYR   3           HA       TYR   3  -0.729  -5.499  -2.698
   19    HB2  TYR   3          2HB       TYR   3  -2.366  -4.144  -3.804
   20    HB3  TYR   3          3HB       TYR   3  -1.947  -3.337  -2.297
   21    HD1  TYR   3           HD1      TYR   3   0.051  -1.582  -2.548
   22    HD2  TYR   3           HD2      TYR   3  -2.504  -2.849  -5.706
   23    HE1  TYR   3           HE1      TYR   3   0.577   0.475  -3.791
   24    HE2  TYR   3           HE2      TYR   3  -1.984  -0.797  -6.958
   25    HH   TYR   3           HH       TYR   3   0.411   0.976  -6.672
   26    H    VAL   4           H        VAL   4   1.311  -3.119  -4.312
   27    HA   VAL   4           HA       VAL   4   1.107  -4.344  -6.894
   28    HB   VAL   4           HB       VAL   4   3.197  -2.881  -7.333
   29   HG11  VAL   4          1HG1      VAL   4   0.391  -2.271  -7.117
   30   HG12  VAL   4          2HG1      VAL   4   1.368  -0.834  -6.810
   31   HG13  VAL   4          3HG1      VAL   4   1.567  -1.732  -8.315
   32   HG21  VAL   4          1HG2      VAL   4   2.426  -1.140  -5.122
   33   HG22  VAL   4          2HG2      VAL   4   3.173  -2.649  -4.598
   34   HG23  VAL   4          3HG2      VAL   4   4.028  -1.581  -5.711
   35    H    TYR   5           H        TYR   5   3.429  -4.440  -4.236
   36    HA   TYR   5           HA       TYR   5   5.475  -5.850  -5.516
   37    HB2  TYR   5          2HB       TYR   5   4.623  -5.647  -2.637
   38    HB3  TYR   5          3HB       TYR   5   5.982  -6.658  -3.116
   39    HD1  TYR   5           HD1      TYR   5   8.104  -5.727  -3.226
   40    HD2  TYR   5           HD2      TYR   5   4.715  -3.163  -3.443
   41    HE1  TYR   5           HE1      TYR   5   9.589  -3.768  -3.162
   42    HE2  TYR   5           HE2      TYR   5   6.191  -1.197  -3.382
   43    HH   TYR   5           HH       TYR   5   9.722  -1.552  -3.302
   44    H    SER   6           H        SER   6   2.429  -6.910  -4.221
   45    HA   SER   6           HA       SER   6   3.163  -9.720  -4.377
   46    HB2  SER   6          2HB       SER   6   0.376  -8.738  -3.845
   47    HB3  SER   6          3HB       SER   6   1.179 -10.187  -3.240
   48    HG   SER   6           HG       SER   6   1.471  -7.513  -2.402
   49    H    ARG   7           H        ARG   7   1.438  -7.318  -6.203
   50    HA   ARG   7           HA       ARG   7   0.075  -9.174  -7.911
   51    HB2  ARG   7          2HB       ARG   7  -1.100  -7.315  -8.296
   52    HB3  ARG   7          3HB       ARG   7   0.120  -6.331  -7.499
   53    HG2  ARG   7          2HG       ARG   7   1.378  -6.203  -9.595
   54    HG3  ARG   7          3HG       ARG   7   0.136  -7.172 -10.390
   55    HD2  ARG   7          2HD       ARG   7  -1.173  -5.039  -9.078
   56    HD3  ARG   7          3HD       ARG   7   0.205  -4.354  -9.939
   57    HE   ARG   7           HE       ARG   7  -2.191  -5.347 -11.090
   58   HH11  ARG   7          1HH1      ARG   7   1.243  -5.124 -11.616
   59   HH12  ARG   7          2HH1      ARG   7   1.115  -5.184 -13.343
   60   HH21  ARG   7          1HH2      ARG   7  -2.373  -5.428 -13.362
   61   HH22  ARG   7          2HH2      ARG   7  -0.943  -5.356 -14.335
   62    H    VAL   8           H        VAL   8   3.011  -7.214  -8.141
   63    HA   VAL   8           HA       VAL   8   3.688  -7.615 -10.786
   64    HB   VAL   8           HB       VAL   8   5.552  -7.502  -8.411
   65   HG11  VAL   8          1HG1      VAL   8   6.972  -6.473 -10.457
   66   HG12  VAL   8          2HG1      VAL   8   7.058  -8.164  -9.957
   67   HG13  VAL   8          3HG1      VAL   8   6.031  -7.695 -11.313
   68   HG21  VAL   8          1HG2      VAL   8   5.030  -5.348  -8.291
   69   HG22  VAL   8          2HG2      VAL   8   5.546  -5.126  -9.962
   70   HG23  VAL   8          3HG2      VAL   8   3.871  -5.547  -9.605
   71    H    LYS   9           H        LYS   9   5.052  -9.511  -8.088
   72    HA   LYS   9           HA       LYS   9   5.607 -11.691  -9.953
   73    HB2  LYS   9          2HB       LYS   9   6.957 -12.633  -8.125
   74    HB3  LYS   9          3HB       LYS   9   7.437 -10.985  -8.507
   75    HG2  LYS   9          2HG       LYS   9   5.561 -10.633  -6.531
   76    HG3  LYS   9          3HG       LYS   9   6.399 -12.105  -6.033
   77    HD2  LYS   9          2HD       LYS   9   8.459 -10.462  -6.821
   78    HD3  LYS   9          3HD       LYS   9   7.326  -9.337  -6.067
   79    HE2  LYS   9          2HE       LYS   9   8.124 -11.909  -4.738
   80    HE3  LYS   9          3HE       LYS   9   9.092 -10.444  -4.576
   81    HZ1  LYS   9          1HZ       LYS   9   7.747  -9.913  -2.910
   82    HZ2  LYS   9          2HZ       LYS   9   6.651 -11.146  -3.282
   83    HZ3  LYS   9          3HZ       LYS   9   6.528  -9.645  -4.052
  Start of MODEL    4
    1    H1   THR   1           H        THR   1   1.481   0.144   0.668
    2    HA   THR   1           HA       THR   1   1.290   0.420  -2.245
    3    HB   THR   1           HB       THR   1   3.942   0.471  -0.912
    4    HG1  THR   1           HG1      THR   1   3.241   1.912   0.482
    5   HG21  THR   1          1HG2      THR   1   4.013   2.552  -2.482
    6   HG22  THR   1          2HG2      THR   1   2.565   1.837  -3.191
    7   HG23  THR   1          3HG2      THR   1   4.079   0.934  -3.178
    8    H    VAL   2           H        VAL   2   1.323  -2.032  -0.149
    9    HA   VAL   2           HA       VAL   2   3.379  -3.681  -1.331
   10    HB   VAL   2           HB       VAL   2   1.168  -4.634   0.478
   11   HG11  VAL   2          1HG1      VAL   2   2.697  -6.372   1.075
   12   HG12  VAL   2          2HG1      VAL   2   2.633  -6.291  -0.687
   13   HG13  VAL   2          3HG1      VAL   2   4.006  -5.602   0.180
   14   HG21  VAL   2          1HG2      VAL   2   2.653  -4.164   2.373
   15   HG22  VAL   2          2HG2      VAL   2   3.793  -3.379   1.280
   16   HG23  VAL   2          3HG2      VAL   2   2.189  -2.688   1.527
   17    H    TYR   3           H        TYR   3   0.040  -3.022  -1.860
   18    HA   TYR   3           HA       TYR   3  -0.995  -5.304  -2.936
   19    HB2  TYR   3          2HB       TYR   3  -2.477  -3.934  -4.228
   20    HB3  TYR   3          3HB       TYR   3  -2.155  -3.084  -2.721
   21    HD1  TYR   3           HD1      TYR   3  -2.400  -2.714  -6.182
   22    HD2  TYR   3           HD2      TYR   3  -0.074  -1.415  -2.864
   23    HE1  TYR   3           HE1      TYR   3  -1.696  -0.733  -7.458
   24    HE2  TYR   3           HE2      TYR   3   0.635   0.570  -4.131
   25    HH   TYR   3           HH       TYR   3   0.695   0.937  -7.092
   26    H    VAL   4           H        VAL   4   1.265  -3.067  -4.459
   27    HA   VAL   4           HA       VAL   4   1.229  -4.385  -7.001
   28    HB   VAL   4           HB       VAL   4   3.408  -3.022  -7.313
   29   HG11  VAL   4          1HG1      VAL   4   1.626  -0.889  -7.020
   30   HG12  VAL   4          2HG1      VAL   4   1.917  -1.848  -8.472
   31   HG13  VAL   4          3HG1      VAL   4   0.622  -2.298  -7.362
   32   HG21  VAL   4          1HG2      VAL   4   4.153  -1.692  -5.676
   33   HG22  VAL   4          2HG2      VAL   4   2.528  -1.164  -5.241
   34   HG23  VAL   4          3HG2      VAL   4   3.163  -2.680  -4.601
   35    H    TYR   5           H        TYR   5   3.316  -4.465  -4.155
   36    HA   TYR   5           HA       TYR   5   5.400  -6.004  -5.205
   37    HB2  TYR   5          2HB       TYR   5   4.325  -5.650  -2.417
   38    HB3  TYR   5          3HB       TYR   5   5.676  -6.730  -2.744
   39    HD1  TYR   5           HD1      TYR   5   4.581  -3.206  -3.301
   40    HD2  TYR   5           HD2      TYR   5   7.836  -5.883  -2.720
   41    HE1  TYR   5           HE1      TYR   5   6.125  -1.295  -3.191
   42    HE2  TYR   5           HE2      TYR   5   9.389  -3.979  -2.607
   43    HH   TYR   5           HH       TYR   5   9.621  -1.778  -2.811
   44    H    SER   6           H        SER   6   2.215  -6.889  -4.132
   45    HA   SER   6           HA       SER   6   2.841  -9.730  -4.119
   46    HB2  SER   6          2HB       SER   6   0.671  -8.040  -3.112
   47    HB3  SER   6          3HB       SER   6   0.101  -9.531  -3.862
   48    HG   SER   6           HG       SER   6   1.448  -9.155  -1.507
   49    H    ARG   7           H        ARG   7   1.369  -7.339  -6.168
   50    HA   ARG   7           HA       ARG   7   0.069  -9.208  -7.911
   51    HB2  ARG   7          2HB       ARG   7  -0.992  -7.322  -8.458
   52    HB3  ARG   7          3HB       ARG   7   0.201  -6.355  -7.603
   53    HG2  ARG   7          2HG       ARG   7   1.626  -6.360  -9.593
   54    HG3  ARG   7          3HG       ARG   7   0.412  -7.313 -10.450
   55    HD2  ARG   7          2HD       ARG   7  -0.908  -5.080  -9.329
   56    HD3  ARG   7          3HD       ARG   7   0.561  -4.483 -10.099
   57    HE   ARG   7           HE       ARG   7  -0.705  -6.253 -11.858
   58   HH11  ARG   7          1HH1      ARG   7  -1.204  -3.119 -10.425
   59   HH12  ARG   7          2HH1      ARG   7  -2.139  -2.517 -11.753
   60   HH21  ARG   7          1HH2      ARG   7  -1.936  -5.471 -13.612
   61   HH22  ARG   7          2HH2      ARG   7  -2.556  -3.855 -13.565
   62    H    VAL   8           H        VAL   8   3.094  -7.374  -7.975
   63    HA   VAL   8           HA       VAL   8   3.962  -7.908 -10.539
   64    HB   VAL   8           HB       VAL   8   5.631  -7.767  -8.025
   65   HG11  VAL   8          1HG1      VAL   8   7.266  -6.894  -9.971
   66   HG12  VAL   8          2HG1      VAL   8   7.219  -8.570  -9.419
   67   HG13  VAL   8          3HG1      VAL   8   6.339  -8.093 -10.871
   68   HG21  VAL   8          1HG2      VAL   8   5.837  -5.470  -9.693
   69   HG22  VAL   8          2HG2      VAL   8   4.129  -5.804  -9.410
   70   HG23  VAL   8          3HG2      VAL   8   5.223  -5.584  -8.044
   71    H    LYS   9           H        LYS   9   5.026  -9.744  -7.670
   72    HA   LYS   9           HA       LYS   9   6.100 -11.884  -9.163
   73    HB2  LYS   9          2HB       LYS   9   5.556 -11.311  -6.317
   74    HB3  LYS   9          3HB       LYS   9   5.609 -13.017  -6.744
   75    HG2  LYS   9          2HG       LYS   9   7.809 -12.879  -6.497
   76    HG3  LYS   9          3HG       LYS   9   7.827 -11.962  -8.005
   77    HD2  LYS   9          2HD       LYS   9   7.525  -9.883  -6.680
   78    HD3  LYS   9          3HD       LYS   9   7.659 -10.845  -5.206
   79    HE2  LYS   9          2HE       LYS   9   9.872 -11.604  -6.659
   80    HE3  LYS   9          3HE       LYS   9   9.733  -9.883  -7.014
   81    HZ1  LYS   9          1HZ       LYS   9   9.847 -11.095  -4.304
   82    HZ2  LYS   9          2HZ       LYS   9   9.687  -9.443  -4.631
   83    HZ3  LYS   9          3HZ       LYS   9  11.103 -10.259  -5.070
  Start of MODEL    5
    1    H1   THR   1           H        THR   1   1.303   0.147   0.849
    2    HA   THR   1           HA       THR   1   0.969   0.456  -2.048
    3    HB   THR   1           HB       THR   1   3.626   0.890  -0.796
    4    HG1  THR   1           HG1      THR   1   1.407   2.640  -0.409
    5   HG21  THR   1          1HG2      THR   1   1.976   2.074  -2.995
    6   HG22  THR   1          2HG2      THR   1   3.614   1.420  -3.051
    7   HG23  THR   1          3HG2      THR   1   3.317   2.992  -2.310
    8    H    VAL   2           H        VAL   2   1.456  -2.007  -0.023
    9    HA   VAL   2           HA       VAL   2   3.701  -3.288  -1.313
   10    HB   VAL   2           HB       VAL   2   1.728  -4.616   0.535
   11   HG11  VAL   2          1HG1      VAL   2   3.390  -5.997  -0.719
   12   HG12  VAL   2          2HG1      VAL   2   4.670  -5.122   0.123
   13   HG13  VAL   2          3HG1      VAL   2   3.526  -6.108   1.035
   14   HG21  VAL   2          1HG2      VAL   2   3.186  -3.964   2.397
   15   HG22  VAL   2          2HG2      VAL   2   4.152  -2.985   1.293
   16   HG23  VAL   2          3HG2      VAL   2   2.469  -2.559   1.607
   17    H    TYR   3           H        TYR   3   0.284  -3.146  -1.722
   18    HA   TYR   3           HA       TYR   3  -0.422  -5.535  -2.830
   19    HB2  TYR   3          2HB       TYR   3  -2.140  -4.384  -4.039
   20    HB3  TYR   3          3HB       TYR   3  -1.903  -3.528  -2.519
   21    HD1  TYR   3           HD1      TYR   3  -0.112  -1.553  -2.677
   22    HD2  TYR   3           HD2      TYR   3  -2.321  -3.120  -5.958
   23    HE1  TYR   3           HE1      TYR   3   0.239   0.547  -3.909
   24    HE2  TYR   3           HE2      TYR   3  -1.974  -1.026  -7.200
   25    HH   TYR   3           HH       TYR   3  -0.542   1.784  -5.700
   26    H    VAL   4           H        VAL   4   1.412  -2.939  -4.358
   27    HA   VAL   4           HA       VAL   4   1.495  -4.190  -6.933
   28    HB   VAL   4           HB       VAL   4   3.424  -2.497  -7.273
   29   HG11  VAL   4          1HG1      VAL   4   1.732  -1.544  -8.354
   30   HG12  VAL   4          2HG1      VAL   4   0.559  -2.215  -7.219
   31   HG13  VAL   4          3HG1      VAL   4   1.344  -0.674  -6.870
   32   HG21  VAL   4          1HG2      VAL   4   2.336  -0.848  -5.126
   33   HG22  VAL   4          2HG2      VAL   4   3.222  -2.258  -4.546
   34   HG23  VAL   4          3HG2      VAL   4   4.009  -1.103  -5.621
   35    H    TYR   5           H        TYR   5   3.663  -4.007  -4.153
   36    HA   TYR   5           HA       TYR   5   5.924  -5.178  -5.308
   37    HB2  TYR   5          2HB       TYR   5   4.903  -5.058  -2.480
   38    HB3  TYR   5          3HB       TYR   5   6.393  -5.906  -2.876
   39    HD1  TYR   5           HD1      TYR   5   4.746  -2.585  -3.303
   40    HD2  TYR   5           HD2      TYR   5   8.396  -4.734  -2.897
   41    HE1  TYR   5           HE1      TYR   5   5.978  -0.459  -3.188
   42    HE2  TYR   5           HE2      TYR   5   9.638  -2.614  -2.780
   43    HH   TYR   5           HH       TYR   5   9.181  -0.244  -2.168
   44    H    SER   6           H        SER   6   2.953  -6.572  -4.167
   45    HA   SER   6           HA       SER   6   4.013  -9.281  -4.250
   46    HB2  SER   6          2HB       SER   6   2.300  -8.399  -2.534
   47    HB3  SER   6          3HB       SER   6   1.120  -8.548  -3.836
   48    HG   SER   6           HG       SER   6   1.010 -10.512  -3.027
   49    H    ARG   7           H        ARG   7   2.117  -7.103  -6.185
   50    HA   ARG   7           HA       ARG   7   1.064  -9.113  -7.938
   51    HB2  ARG   7          2HB       ARG   7  -0.296  -7.404  -8.400
   52    HB3  ARG   7          3HB       ARG   7   0.762  -6.282  -7.556
   53    HG2  ARG   7          2HG       ARG   7   2.100  -6.020  -9.589
   54    HG3  ARG   7          3HG       ARG   7   1.019  -7.131 -10.433
   55    HD2  ARG   7          2HD       ARG   7  -0.611  -5.177  -9.229
   56    HD3  ARG   7          3HD       ARG   7   0.734  -4.317  -9.978
   57    HE   ARG   7           HE       ARG   7  -0.075  -4.905 -12.046
   58   HH11  ARG   7          1HH1      ARG   7  -1.701  -6.755  -9.586
   59   HH12  ARG   7          2HH1      ARG   7  -2.889  -7.399 -10.671
   60   HH21  ARG   7          1HH2      ARG   7  -1.632  -5.745 -13.484
   61   HH22  ARG   7          2HH2      ARG   7  -2.848  -6.824 -12.889
   62    H    VAL   8           H        VAL   8   3.763  -6.828  -8.045
   63    HA   VAL   8           HA       VAL   8   4.614  -7.162 -10.648
   64    HB   VAL   8           HB       VAL   8   6.326  -6.817  -8.183
   65   HG11  VAL   8          1HG1      VAL   8   7.722  -5.653 -10.179
   66   HG12  VAL   8          2HG1      VAL   8   7.985  -7.309  -9.629
   67   HG13  VAL   8          3HG1      VAL   8   6.984  -6.998 -11.048
   68   HG21  VAL   8          1HG2      VAL   8   4.455  -5.103  -9.314
   69   HG22  VAL   8          2HG2      VAL   8   5.729  -4.670  -8.174
   70   HG23  VAL   8          3HG2      VAL   8   6.008  -4.516  -9.908
   71    H    LYS   9           H        LYS   9   6.049  -8.873  -7.864
   72    HA   LYS   9           HA       LYS   9   7.158 -10.861  -7.726
   73    HB2  LYS   9          2HB       LYS   9   4.660 -11.345  -9.181
   74    HB3  LYS   9          3HB       LYS   9   5.887 -12.573  -9.464
   75    HG2  LYS   9          2HG       LYS   9   4.863 -11.701  -6.769
   76    HG3  LYS   9          3HG       LYS   9   4.412 -13.179  -7.622
   77    HD2  LYS   9          2HD       LYS   9   6.870 -13.778  -7.614
   78    HD3  LYS   9          3HD       LYS   9   7.103 -12.434  -6.494
   79    HE2  LYS   9          2HE       LYS   9   5.207 -14.732  -6.031
   80    HE3  LYS   9          3HE       LYS   9   6.846 -14.651  -5.387
   81    HZ1  LYS   9          1HZ       LYS   9   6.191 -13.307  -3.762
   82    HZ2  LYS   9          2HZ       LYS   9   4.598 -13.681  -4.188
   83    HZ3  LYS   9          3HZ       LYS   9   5.336 -12.293  -4.812
  Start of MODEL    6
    1    H1   THR   1           H        THR   1   1.620  -0.115   1.121
    2    HA   THR   1           HA       THR   1   1.373   0.412  -1.753
    3    HB   THR   1           HB       THR   1   4.047   0.391  -0.462
    4    HG1  THR   1           HG1      THR   1   3.564   1.894   0.937
    5   HG21  THR   1          1HG2      THR   1   4.043   2.611  -1.846
    6   HG22  THR   1          2HG2      THR   1   2.613   1.909  -2.602
    7   HG23  THR   1          3HG2      THR   1   4.156   1.058  -2.672
    8    H    VAL   2           H        VAL   2   1.480  -2.213   0.118
    9    HA   VAL   2           HA       VAL   2   3.541  -3.718  -1.237
   10    HB   VAL   2           HB       VAL   2   1.376  -4.863   0.516
   11   HG11  VAL   2          1HG1      VAL   2   2.942  -6.620   0.934
   12   HG12  VAL   2          2HG1      VAL   2   2.844  -6.387  -0.813
   13   HG13  VAL   2          3HG1      VAL   2   4.222  -5.753   0.087
   14   HG21  VAL   2          1HG2      VAL   2   2.886  -4.537   2.421
   15   HG22  VAL   2          2HG2      VAL   2   3.995  -3.639   1.384
   16   HG23  VAL   2          3HG2      VAL   2   2.385  -2.999   1.716
   17    H    TYR   3           H        TYR   3   0.183  -3.070  -1.653
   18    HA   TYR   3           HA       TYR   3  -0.836  -5.265  -2.910
   19    HB2  TYR   3          2HB       TYR   3  -2.360  -3.812  -4.052
   20    HB3  TYR   3          3HB       TYR   3  -2.024  -3.091  -2.482
   21    HD1  TYR   3           HD1      TYR   3  -2.335  -2.424  -5.893
   22    HD2  TYR   3           HD2      TYR   3   0.029  -1.382  -2.512
   23    HE1  TYR   3           HE1      TYR   3  -1.683  -0.328  -7.003
   24    HE2  TYR   3           HE2      TYR   3   0.687   0.717  -3.612
   25    HH   TYR   3           HH       TYR   3   0.864   1.523  -6.081
   26    H    VAL   4           H        VAL   4   1.365  -2.866  -4.265
   27    HA   VAL   4           HA       VAL   4   1.306  -3.957  -6.913
   28    HB   VAL   4           HB       VAL   4   3.458  -2.536  -7.137
   29   HG11  VAL   4          1HG1      VAL   4   1.650  -0.467  -6.633
   30   HG12  VAL   4          2HG1      VAL   4   1.931  -1.292  -8.167
   31   HG13  VAL   4          3HG1      VAL   4   0.661  -1.856  -7.080
   32   HG21  VAL   4          1HG2      VAL   4   4.209  -1.339  -5.401
   33   HG22  VAL   4          2HG2      VAL   4   2.582  -0.883  -4.896
   34   HG23  VAL   4          3HG2      VAL   4   3.255  -2.436  -4.403
   35    H    TYR   5           H        TYR   5   3.440  -4.253  -4.116
   36    HA   TYR   5           HA       TYR   5   5.527  -5.662  -5.334
   37    HB2  TYR   5          2HB       TYR   5   4.504  -5.562  -2.506
   38    HB3  TYR   5          3HB       TYR   5   5.865  -6.586  -2.949
   39    HD1  TYR   5           HD1      TYR   5   8.013  -5.708  -2.901
   40    HD2  TYR   5           HD2      TYR   5   4.703  -3.048  -3.176
   41    HE1  TYR   5           HE1      TYR   5   9.538  -3.794  -2.658
   42    HE2  TYR   5           HE2      TYR   5   6.220  -1.127  -2.936
   43    HH   TYR   5           HH       TYR   5   9.658  -1.570  -2.281
   44    H    SER   6           H        SER   6   2.374  -6.680  -4.294
   45    HA   SER   6           HA       SER   6   3.040  -9.504  -4.527
   46    HB2  SER   6          2HB       SER   6   1.252  -8.162  -2.941
   47    HB3  SER   6          3HB       SER   6   0.206  -8.781  -4.219
   48    HG   SER   6           HG       SER   6   1.860 -10.216  -2.437
   49    H    ARG   7           H        ARG   7   1.536  -6.967  -6.353
   50    HA   ARG   7           HA       ARG   7   0.221  -8.711  -8.222
   51    HB2  ARG   7          2HB       ARG   7  -0.909  -6.784  -8.438
   52    HB3  ARG   7          3HB       ARG   7   0.401  -5.845  -7.734
   53    HG2  ARG   7          2HG       ARG   7   0.030  -5.039  -9.938
   54    HG3  ARG   7          3HG       ARG   7   1.551  -5.933  -9.946
   55    HD2  ARG   7          2HD       ARG   7   0.762  -7.146 -11.631
   56    HD3  ARG   7          3HD       ARG   7  -0.439  -7.814 -10.526
   57    HE   ARG   7           HE       ARG   7  -1.419  -5.375 -11.416
   58   HH11  ARG   7          1HH1      ARG   7  -0.562  -8.469 -12.762
   59   HH12  ARG   7          2HH1      ARG   7  -1.714  -8.373 -14.053
   60   HH21  ARG   7          1HH2      ARG   7  -2.939  -5.236 -13.111
   61   HH22  ARG   7          2HH2      ARG   7  -3.064  -6.533 -14.251
   62    H    VAL   8           H        VAL   8   3.224  -6.856  -8.132
   63    HA   VAL   8           HA       VAL   8   4.050  -7.109 -10.762
   64    HB   VAL   8           HB       VAL   8   5.746  -7.162  -8.263
   65   HG11  VAL   8          1HG1      VAL   8   6.443  -7.142 -11.151
   66   HG12  VAL   8          2HG1      VAL   8   7.412  -6.156 -10.055
   67   HG13  VAL   8          3HG1      VAL   8   7.275  -7.895  -9.791
   68   HG21  VAL   8          1HG2      VAL   8   4.166  -5.136  -9.309
   69   HG22  VAL   8          2HG2      VAL   8   5.474  -4.953  -8.141
   70   HG23  VAL   8          3HG2      VAL   8   5.795  -4.749  -9.863
   71    H    LYS   9           H        LYS   9   5.187  -9.190  -8.095
   72    HA   LYS   9           HA       LYS   9   6.021 -11.220  -9.973
   73    HB2  LYS   9          2HB       LYS   9   6.817 -12.422  -7.987
   74    HB3  LYS   9          3HB       LYS   9   7.388 -10.759  -8.001
   75    HG2  LYS   9          2HG       LYS   9   5.097 -10.508  -6.574
   76    HG3  LYS   9          3HG       LYS   9   5.614 -12.133  -6.115
   77    HD2  LYS   9          2HD       LYS   9   7.551  -9.847  -6.094
   78    HD3  LYS   9          3HD       LYS   9   6.455 -10.111  -4.736
   79    HE2  LYS   9          2HE       LYS   9   7.605 -11.892  -4.007
   80    HE3  LYS   9          3HE       LYS   9   7.831 -12.529  -5.635
   81    HZ1  LYS   9          1HZ       LYS   9   9.962 -11.990  -5.165
   82    HZ2  LYS   9          2HZ       LYS   9   9.550 -10.764  -4.076
   83    HZ3  LYS   9          3HZ       LYS   9   9.474 -10.476  -5.742
  Start of MODEL    7
    1    H1   THR   1           H        THR   1   2.304   0.968  -3.320
    2    HA   THR   1           HA       THR   1   3.118   0.588  -0.511
    3    HB   THR   1           HB       THR   1   0.621  -0.735  -1.186
    4    HG1  THR   1           HG1      THR   1  -0.448   0.891  -2.008
    5   HG21  THR   1          1HG2      THR   1   1.197  -0.529   1.087
    6   HG22  THR   1          2HG2      THR   1  -0.097   0.644   0.845
    7   HG23  THR   1          3HG2      THR   1   1.580   1.184   0.921
    8    H    VAL   2           H        VAL   2   2.070  -1.896  -0.061
    9    HA   VAL   2           HA       VAL   2   3.934  -3.563  -1.504
   10    HB   VAL   2           HB       VAL   2   1.919  -4.499   0.531
   11   HG11  VAL   2          1HG1      VAL   2   3.107  -6.219  -0.761
   12   HG12  VAL   2          2HG1      VAL   2   4.647  -5.541  -0.229
   13   HG13  VAL   2          3HG1      VAL   2   3.544  -6.256   0.947
   14   HG21  VAL   2          1HG2      VAL   2   3.126  -2.604   1.480
   15   HG22  VAL   2          2HG2      VAL   2   3.621  -4.112   2.250
   16   HG23  VAL   2          3HG2      VAL   2   4.663  -3.353   1.046
   17    H    TYR   3           H        TYR   3   0.616  -2.756  -1.726
   18    HA   TYR   3           HA       TYR   3  -0.623  -5.000  -2.686
   19    HB2  TYR   3          2HB       TYR   3  -2.226  -3.596  -3.660
   20    HB3  TYR   3          3HB       TYR   3  -1.549  -2.614  -2.366
   21    HD1  TYR   3           HD1      TYR   3   0.555  -1.150  -3.138
   22    HD2  TYR   3           HD2      TYR   3  -2.508  -2.592  -5.715
   23    HE1  TYR   3           HE1      TYR   3   1.091   0.622  -4.757
   24    HE2  TYR   3           HE2      TYR   3  -1.981  -0.824  -7.341
   25    HH   TYR   3           HH       TYR   3   0.791   1.285  -6.929
   26    H    VAL   4           H        VAL   4   1.699  -2.955  -4.324
   27    HA   VAL   4           HA       VAL   4   1.318  -4.209  -6.892
   28    HB   VAL   4           HB       VAL   4   3.552  -2.946  -7.361
   29   HG11  VAL   4          1HG1      VAL   4   2.004  -1.797  -8.475
   30   HG12  VAL   4          2HG1      VAL   4   0.784  -2.104  -7.238
   31   HG13  VAL   4          3HG1      VAL   4   1.893  -0.744  -7.066
   32   HG21  VAL   4          1HG2      VAL   4   3.567  -2.584  -4.689
   33   HG22  VAL   4          2HG2      VAL   4   4.366  -1.502  -5.829
   34   HG23  VAL   4          3HG2      VAL   4   2.768  -1.099  -5.203
   35    H    TYR   5           H        TYR   5   3.634  -4.410  -4.238
   36    HA   TYR   5           HA       TYR   5   5.549  -6.031  -5.478
   37    HB2  TYR   5          2HB       TYR   5   4.745  -5.666  -2.600
   38    HB3  TYR   5          3HB       TYR   5   6.030  -6.775  -3.064
   39    HD1  TYR   5           HD1      TYR   5   4.984  -3.218  -3.190
   40    HD2  TYR   5           HD2      TYR   5   8.202  -5.982  -3.520
   41    HE1  TYR   5           HE1      TYR   5   6.581  -1.348  -3.203
   42    HE2  TYR   5           HE2      TYR   5   9.808  -4.120  -3.532
   43    HH   TYR   5           HH       TYR   5   8.744  -0.777  -3.667
   44    H    SER   6           H        SER   6   2.430  -6.773  -4.146
   45    HA   SER   6           HA       SER   6   2.928  -9.642  -4.195
   46    HB2  SER   6          2HB       SER   6   1.557  -8.440  -2.392
   47    HB3  SER   6          3HB       SER   6   0.288  -8.305  -3.609
   48    HG   SER   6           HG       SER   6   1.483 -10.793  -3.044
   49    H    ARG   7           H        ARG   7   1.391  -7.165  -6.083
   50    HA   ARG   7           HA       ARG   7  -0.162  -8.955  -7.701
   51    HB2  ARG   7          2HB       ARG   7  -1.183  -7.017  -8.130
   52    HB3  ARG   7          3HB       ARG   7   0.131  -6.114  -7.390
   53    HG2  ARG   7          2HG       ARG   7   1.354  -6.164  -9.510
   54    HG3  ARG   7          3HG       ARG   7   0.019  -7.051 -10.249
   55    HD2  ARG   7          2HD       ARG   7  -1.080  -4.771  -8.992
   56    HD3  ARG   7          3HD       ARG   7   0.334  -4.235  -9.898
   57    HE   ARG   7           HE       ARG   7  -2.157  -5.117 -10.972
   58   HH11  ARG   7          1HH1      ARG   7   1.270  -4.986 -11.571
   59   HH12  ARG   7          2HH1      ARG   7   1.102  -5.041 -13.295
   60   HH21  ARG   7          1HH2      ARG   7  -2.390  -5.190 -13.240
   61   HH22  ARG   7          2HH2      ARG   7  -0.980  -5.157 -14.243
   62    H    VAL   8           H        VAL   8   2.924  -7.259  -8.045
   63    HA   VAL   8           HA       VAL   8   3.513  -7.808 -10.685
   64    HB   VAL   8           HB       VAL   8   5.418  -7.750  -8.341
   65   HG11  VAL   8          1HG1      VAL   8   5.851  -8.017 -11.267
   66   HG12  VAL   8          2HG1      VAL   8   6.960  -6.989 -10.357
   67   HG13  VAL   8          3HG1      VAL   8   6.771  -8.688  -9.920
   68   HG21  VAL   8          1HG2      VAL   8   3.855  -5.730  -9.220
   69   HG22  VAL   8          2HG2      VAL   8   5.443  -5.499  -8.489
   70   HG23  VAL   8          3HG2      VAL   8   5.274  -5.507 -10.244
   71    H    LYS   9           H        LYS   9   4.767  -9.711  -7.938
   72    HA   LYS   9           HA       LYS   9   4.947 -12.031  -9.732
   73    HB2  LYS   9          2HB       LYS   9   6.547 -12.951  -8.136
   74    HB3  LYS   9          3HB       LYS   9   7.043 -11.343  -8.649
   75    HG2  LYS   9          2HG       LYS   9   5.686 -10.661  -6.465
   76    HG3  LYS   9          3HG       LYS   9   6.144 -12.301  -5.998
   77    HD2  LYS   9          2HD       LYS   9   8.502 -11.739  -6.521
   78    HD3  LYS   9          3HD       LYS   9   8.000 -10.079  -6.853
   79    HE2  LYS   9          2HE       LYS   9   7.024 -10.089  -4.495
   80    HE3  LYS   9          3HE       LYS   9   7.953 -11.565  -4.240
   81    HZ1  LYS   9          1HZ       LYS   9   8.837  -8.917  -4.081
   82    HZ2  LYS   9          2HZ       LYS   9   9.642  -9.645  -5.378
   83    HZ3  LYS   9          3HZ       LYS   9   9.728 -10.334  -3.835
  Start of MODEL    8
    1    H1   THR   1           H        THR   1   2.323   1.031  -3.338
    2    HA   THR   1           HA       THR   1   2.949   0.611  -0.487
    3    HB   THR   1           HB       THR   1   0.496  -0.691  -1.341
    4    HG1  THR   1           HG1      THR   1   0.346   1.189  -2.673
    5   HG21  THR   1          1HG2      THR   1   0.862  -0.533   0.960
    6   HG22  THR   1          2HG2      THR   1  -0.333   0.727   0.651
    7   HG23  THR   1          3HG2      THR   1   1.365   1.154   0.859
    8    H    VAL   2           H        VAL   2   1.863  -1.872  -0.138
    9    HA   VAL   2           HA       VAL   2   3.811  -3.531  -1.476
   10    HB   VAL   2           HB       VAL   2   1.663  -4.482   0.410
   11   HG11  VAL   2          1HG1      VAL   2   2.926  -6.192  -0.822
   12   HG12  VAL   2          2HG1      VAL   2   4.430  -5.528  -0.182
   13   HG13  VAL   2          3HG1      VAL   2   3.249  -6.252   0.910
   14   HG21  VAL   2          1HG2      VAL   2   4.371  -3.356   1.118
   15   HG22  VAL   2          2HG2      VAL   2   2.813  -2.604   1.460
   16   HG23  VAL   2          3HG2      VAL   2   3.249  -4.123   2.241
   17    H    TYR   3           H        TYR   3   0.518  -2.705  -1.906
   18    HA   TYR   3           HA       TYR   3  -0.664  -4.931  -2.973
   19    HB2  TYR   3          2HB       TYR   3  -2.193  -3.507  -4.033
   20    HB3  TYR   3          3HB       TYR   3  -1.599  -2.544  -2.685
   21    HD1  TYR   3           HD1      TYR   3   0.557  -1.081  -3.299
   22    HD2  TYR   3           HD2      TYR   3  -2.335  -2.477  -6.090
   23    HE1  TYR   3           HE1      TYR   3   1.206   0.708  -4.856
   24    HE2  TYR   3           HE2      TYR   3  -1.694  -0.692  -7.656
   25    HH   TYR   3           HH       TYR   3   0.999   1.486  -6.956
   26    H    VAL   4           H        VAL   4   1.769  -2.877  -4.429
   27    HA   VAL   4           HA       VAL   4   1.553  -4.099  -7.032
   28    HB   VAL   4           HB       VAL   4   3.818  -2.841  -7.337
   29   HG11  VAL   4          1HG1      VAL   4   2.351  -1.672  -8.537
   30   HG12  VAL   4          2HG1      VAL   4   1.051  -1.986  -7.386
   31   HG13  VAL   4          3HG1      VAL   4   2.153  -0.634  -7.126
   32   HG21  VAL   4          1HG2      VAL   4   3.659  -2.511  -4.666
   33   HG22  VAL   4          2HG2      VAL   4   4.535  -1.418  -5.738
   34   HG23  VAL   4          3HG2      VAL   4   2.900  -1.016  -5.213
   35    H    TYR   5           H        TYR   5   3.688  -4.342  -4.234
   36    HA   TYR   5           HA       TYR   5   5.674  -5.957  -5.366
   37    HB2  TYR   5          2HB       TYR   5   4.684  -5.620  -2.543
   38    HB3  TYR   5          3HB       TYR   5   5.990  -6.734  -2.933
   39    HD1  TYR   5           HD1      TYR   5   4.982  -3.163  -3.216
   40    HD2  TYR   5           HD2      TYR   5   8.189  -5.958  -3.107
   41    HE1  TYR   5           HE1      TYR   5   6.590  -1.305  -3.102
   42    HE2  TYR   5           HE2      TYR   5   9.805  -4.108  -2.992
   43    HH   TYR   5           HH       TYR   5   8.807  -0.823  -2.498
   44    H    SER   6           H        SER   6   2.471  -6.701  -4.251
   45    HA   SER   6           HA       SER   6   2.960  -9.571  -4.304
   46    HB2  SER   6          2HB       SER   6   1.541  -8.701  -2.517
   47    HB3  SER   6          3HB       SER   6   0.446  -7.993  -3.704
   48    HG   SER   6           HG       SER   6   1.006 -10.764  -3.433
   49    H    ARG   7           H        ARG   7   1.561  -7.064  -6.258
   50    HA   ARG   7           HA       ARG   7   0.111  -8.827  -7.997
   51    HB2  ARG   7          2HB       ARG   7  -0.872  -6.878  -8.468
   52    HB3  ARG   7          3HB       ARG   7   0.394  -5.991  -7.631
   53    HG2  ARG   7          2HG       ARG   7   1.754  -6.022  -9.667
   54    HG3  ARG   7          3HG       ARG   7   0.467  -6.892 -10.503
   55    HD2  ARG   7          2HD       ARG   7  -0.727  -4.640  -9.311
   56    HD3  ARG   7          3HD       ARG   7   0.765  -4.076 -10.062
   57    HE   ARG   7           HE       ARG   7  -0.146  -4.495 -12.129
   58   HH11  ARG   7          1HH1      ARG   7  -2.117  -5.965  -9.664
   59   HH12  ARG   7          2HH1      ARG   7  -3.409  -6.358 -10.748
   60   HH21  ARG   7          1HH2      ARG   7  -1.841  -5.006 -13.566
   61   HH22  ARG   7          2HH2      ARG   7  -3.251  -5.813 -12.968
   62    H    VAL   8           H        VAL   8   3.220  -7.142  -8.116
   63    HA   VAL   8           HA       VAL   8   3.980  -7.661 -10.718
   64    HB   VAL   8           HB       VAL   8   5.726  -7.641  -8.253
   65   HG11  VAL   8          1HG1      VAL   8   7.352  -6.827 -10.231
   66   HG12  VAL   8          2HG1      VAL   8   7.234  -8.505  -9.699
   67   HG13  VAL   8          3HG1      VAL   8   6.341  -7.965 -11.121
   68   HG21  VAL   8          1HG2      VAL   8   4.233  -5.603  -9.185
   69   HG22  VAL   8          2HG2      VAL   8   5.788  -5.386  -8.381
   70   HG23  VAL   8          3HG2      VAL   8   5.698  -5.376 -10.142
   71    H    LYS   9           H        LYS   9   5.042  -9.603  -7.918
   72    HA   LYS   9           HA       LYS   9   6.087 -11.730  -9.363
   73    HB2  LYS   9          2HB       LYS   9   4.992 -11.472  -6.584
   74    HB3  LYS   9          3HB       LYS   9   5.475 -13.050  -7.191
   75    HG2  LYS   9          2HG       LYS   9   7.579 -12.605  -6.685
   76    HG3  LYS   9          3HG       LYS   9   7.558 -11.219  -7.778
   77    HD2  LYS   9          2HD       LYS   9   6.654  -9.823  -5.972
   78    HD3  LYS   9          3HD       LYS   9   6.700 -11.211  -4.883
   79    HE2  LYS   9          2HE       LYS   9   9.146 -10.191  -6.304
   80    HE3  LYS   9          3HE       LYS   9   8.633  -9.561  -4.739
   81    HZ1  LYS   9          1HZ       LYS   9  10.306 -11.559  -4.937
   82    HZ2  LYS   9          2HZ       LYS   9   8.879 -12.461  -5.031
   83    HZ3  LYS   9          3HZ       LYS   9   9.173 -11.483  -3.682
  Start of MODEL    9
    1    H1   THR   1           H        THR   1   2.174  -0.029   0.476
    2    HA   THR   1           HA       THR   1   1.597   0.565  -2.349
    3    HB   THR   1           HB       THR   1   4.417   0.230  -1.703
    4    HG1  THR   1           HG1      THR   1   2.927   2.261  -0.367
    5   HG21  THR   1          1HG2      THR   1   4.679   1.963  -3.177
    6   HG22  THR   1          2HG2      THR   1   3.222   2.793  -2.631
    7   HG23  THR   1          3HG2      THR   1   3.093   1.385  -3.684
    8    H    VAL   2           H        VAL   2   2.159  -1.959  -0.196
    9    HA   VAL   2           HA       VAL   2   3.716  -3.766  -1.613
   10    HB   VAL   2           HB       VAL   2   1.303  -4.560   0.010
   11   HG11  VAL   2          1HG1      VAL   2   2.606  -6.538   0.526
   12   HG12  VAL   2          2HG1      VAL   2   2.470  -6.344  -1.223
   13   HG13  VAL   2          3HG1      VAL   2   3.969  -5.910  -0.400
   14   HG21  VAL   2          1HG2      VAL   2   3.996  -3.583   0.916
   15   HG22  VAL   2          2HG2      VAL   2   2.400  -3.018   1.410
   16   HG23  VAL   2          3HG2      VAL   2   2.975  -4.602   1.930
   17    H    TYR   3           H        TYR   3   0.536  -2.637  -2.268
   18    HA   TYR   3           HA       TYR   3  -0.806  -4.583  -3.542
   19    HB2  TYR   3          2HB       TYR   3  -0.420  -1.929  -4.913
   20    HB3  TYR   3          3HB       TYR   3  -1.857  -2.945  -4.884
   21    HD1  TYR   3           HD1      TYR   3   0.086  -0.432  -3.092
   22    HD2  TYR   3           HD2      TYR   3  -3.304  -2.997  -2.906
   23    HE1  TYR   3           HE1      TYR   3  -0.778   0.859  -1.186
   24    HE2  TYR   3           HE2      TYR   3  -4.178  -1.712  -0.999
   25    HH   TYR   3           HH       TYR   3  -3.970   0.267   0.138
   26    H    VAL   4           H        VAL   4   1.538  -2.540  -5.296
   27    HA   VAL   4           HA       VAL   4   1.608  -4.101  -7.618
   28    HB   VAL   4           HB       VAL   4   3.879  -2.994  -7.982
   29   HG11  VAL   4          1HG1      VAL   4   1.891  -0.871  -7.394
   30   HG12  VAL   4          2HG1      VAL   4   2.844  -1.161  -8.851
   31   HG13  VAL   4          3HG1      VAL   4   1.420  -2.146  -8.517
   32   HG21  VAL   4          1HG2      VAL   4   4.391  -2.672  -5.590
   33   HG22  VAL   4          2HG2      VAL   4   4.475  -1.168  -6.507
   34   HG23  VAL   4          3HG2      VAL   4   3.076  -1.501  -5.486
   35    H    TYR   5           H        TYR   5   3.612  -4.191  -4.704
   36    HA   TYR   5           HA       TYR   5   5.540  -6.011  -5.555
   37    HB2  TYR   5          2HB       TYR   5   4.369  -5.563  -2.804
   38    HB3  TYR   5          3HB       TYR   5   5.786  -6.560  -3.116
   39    HD1  TYR   5           HD1      TYR   5   7.922  -5.587  -3.367
   40    HD2  TYR   5           HD2      TYR   5   4.465  -3.105  -3.354
   41    HE1  TYR   5           HE1      TYR   5   9.359  -3.596  -3.222
   42    HE2  TYR   5           HE2      TYR   5   5.893  -1.108  -3.210
   43    HH   TYR   5           HH       TYR   5   9.072  -1.179  -2.347
   44    H    SER   6           H        SER   6   2.221  -6.490  -4.748
   45    HA   SER   6           HA       SER   6   2.527  -9.371  -4.452
   46    HB2  SER   6          2HB       SER   6   0.941  -8.051  -3.014
   47    HB3  SER   6          3HB       SER   6  -0.029  -7.753  -4.456
   48    HG   SER   6           HG       SER   6   0.352 -10.113  -3.014
   49    H    ARG   7           H        ARG   7   1.518  -7.016  -6.804
   50    HA   ARG   7           HA       ARG   7   0.201  -8.883  -8.536
   51    HB2  ARG   7          2HB       ARG   7  -0.600  -6.953  -9.320
   52    HB3  ARG   7          3HB       ARG   7   0.601  -6.041  -8.416
   53    HG2  ARG   7          2HG       ARG   7   2.200  -6.344 -10.245
   54    HG3  ARG   7          3HG       ARG   7   0.980  -7.239 -11.152
   55    HD2  ARG   7          2HD       ARG   7   0.736  -4.375 -10.236
   56    HD3  ARG   7          3HD       ARG   7   1.145  -4.894 -11.871
   57    HE   ARG   7           HE       ARG   7  -1.463  -4.859 -10.665
   58   HH11  ARG   7          1HH1      ARG   7   0.534  -6.308 -13.121
   59   HH12  ARG   7          2HH1      ARG   7  -0.803  -6.771 -14.120
   60   HH21  ARG   7          1HH2      ARG   7  -3.232  -5.464 -11.971
   61   HH22  ARG   7          2HH2      ARG   7  -2.945  -6.290 -13.465
   62    H    VAL   8           H        VAL   8   3.394  -7.364  -8.418
   63    HA   VAL   8           HA       VAL   8   4.442  -8.178 -10.835
   64    HB   VAL   8           HB       VAL   8   5.964  -8.147  -8.227
   65   HG11  VAL   8          1HG1      VAL   8   7.688  -7.242 -10.067
   66   HG12  VAL   8          2HG1      VAL   8   7.532  -8.949  -9.649
   67   HG13  VAL   8          3HG1      VAL   8   6.719  -8.312 -11.079
   68   HG21  VAL   8          1HG2      VAL   8   4.608  -6.028  -9.565
   69   HG22  VAL   8          2HG2      VAL   8   5.600  -5.959  -8.109
   70   HG23  VAL   8          3HG2      VAL   8   6.347  -5.761  -9.694
   71    H    LYS   9           H        LYS   9   5.021  -9.892  -7.759
   72    HA   LYS   9           HA       LYS   9   5.397 -12.365  -9.297
   73    HB2  LYS   9          2HB       LYS   9   6.472 -13.213  -7.201
   74    HB3  LYS   9          3HB       LYS   9   7.299 -11.845  -7.935
   75    HG2  LYS   9          2HG       LYS   9   5.359 -10.922  -6.031
   76    HG3  LYS   9          3HG       LYS   9   6.438 -12.106  -5.289
   77    HD2  LYS   9          2HD       LYS   9   8.272 -10.673  -6.561
   78    HD3  LYS   9          3HD       LYS   9   7.038  -9.419  -6.412
   79    HE2  LYS   9          2HE       LYS   9   7.809  -9.053  -4.356
   80    HE3  LYS   9          3HE       LYS   9   7.119 -10.612  -3.906
   81    HZ1  LYS   9          1HZ       LYS   9   9.830 -10.400  -5.063
   82    HZ2  LYS   9          2HZ       LYS   9   9.162 -11.672  -4.172
   83    HZ3  LYS   9          3HZ       LYS   9   9.564 -10.221  -3.402
  Start of MODEL   10
    1    H1   THR   1           H        THR   1   2.322   0.054   0.558
    2    HA   THR   1           HA       THR   1   1.611   0.519  -2.252
    3    HB   THR   1           HB       THR   1   4.462   0.231  -1.634
    4    HG1  THR   1           HG1      THR   1   2.860   2.148  -0.306
    5   HG21  THR   1          1HG2      THR   1   4.615   1.560  -3.424
    6   HG22  THR   1          2HG2      THR   1   3.569   2.777  -2.691
    7   HG23  THR   1          3HG2      THR   1   2.864   1.423  -3.574
    8    H    VAL   2           H        VAL   2   2.289  -1.970  -0.093
    9    HA   VAL   2           HA       VAL   2   3.812  -3.772  -1.563
   10    HB   VAL   2           HB       VAL   2   1.501  -4.578   0.198
   11   HG11  VAL   2          1HG1      VAL   2   2.613  -6.369  -1.062
   12   HG12  VAL   2          2HG1      VAL   2   4.159  -5.895  -0.354
   13   HG13  VAL   2          3HG1      VAL   2   2.872  -6.526   0.675
   14   HG21  VAL   2          1HG2      VAL   2   4.228  -3.558   0.946
   15   HG22  VAL   2          2HG2      VAL   2   2.654  -2.995   1.509
   16   HG23  VAL   2          3HG2      VAL   2   3.266  -4.566   2.028
   17    H    TYR   3           H        TYR   3   0.593  -2.692  -2.077
   18    HA   TYR   3           HA       TYR   3  -0.795  -4.672  -3.242
   19    HB2  TYR   3          2HB       TYR   3  -0.491  -2.050  -4.693
   20    HB3  TYR   3          3HB       TYR   3  -1.919  -3.070  -4.569
   21    HD1  TYR   3           HD1      TYR   3   0.090  -0.499  -2.944
   22    HD2  TYR   3           HD2      TYR   3  -3.260  -3.086  -2.514
   23    HE1  TYR   3           HE1      TYR   3  -0.686   0.835  -1.029
   24    HE2  TYR   3           HE2      TYR   3  -4.047  -1.758  -0.598
   25    HH   TYR   3           HH       TYR   3  -3.808   0.424   0.352
   26    H    VAL   4           H        VAL   4   1.445  -2.658  -5.158
   27    HA   VAL   4           HA       VAL   4   1.414  -4.279  -7.441
   28    HB   VAL   4           HB       VAL   4   3.645  -3.162  -7.956
   29   HG11  VAL   4          1HG1      VAL   4   2.535  -1.389  -8.826
   30   HG12  VAL   4          2HG1      VAL   4   1.128  -2.322  -8.311
   31   HG13  VAL   4          3HG1      VAL   4   1.731  -1.004  -7.305
   32   HG21  VAL   4          1HG2      VAL   4   3.395  -2.492  -5.179
   33   HG22  VAL   4          2HG2      VAL   4   4.749  -2.215  -6.275
   34   HG23  VAL   4          3HG2      VAL   4   3.459  -1.020  -6.148
   35    H    TYR   5           H        TYR   5   3.568  -4.271  -4.634
   36    HA   TYR   5           HA       TYR   5   5.465  -6.099  -5.531
   37    HB2  TYR   5          2HB       TYR   5   4.430  -5.591  -2.737
   38    HB3  TYR   5          3HB       TYR   5   5.841  -6.580  -3.095
   39    HD1  TYR   5           HD1      TYR   5   7.949  -5.591  -3.479
   40    HD2  TYR   5           HD2      TYR   5   4.470  -3.146  -3.354
   41    HE1  TYR   5           HE1      TYR   5   9.369  -3.583  -3.458
   42    HE2  TYR   5           HE2      TYR   5   5.879  -1.131  -3.333
   43    HH   TYR   5           HH       TYR   5   9.047  -1.094  -4.171
   44    H    SER   6           H        SER   6   2.194  -6.583  -4.560
   45    HA   SER   6           HA       SER   6   2.542  -9.452  -4.198
   46    HB2  SER   6          2HB       SER   6   0.876  -7.716  -2.967
   47    HB3  SER   6          3HB       SER   6  -0.186  -8.294  -4.251
   48    HG   SER   6           HG       SER   6  -0.123  -9.518  -2.184
   49    H    ARG   7           H        ARG   7   1.364  -7.168  -6.549
   50    HA   ARG   7           HA       ARG   7  -0.005  -9.094  -8.166
   51    HB2  ARG   7          2HB       ARG   7  -0.869  -7.194  -8.959
   52    HB3  ARG   7          3HB       ARG   7   0.364  -6.246  -8.139
   53    HG2  ARG   7          2HG       ARG   7   1.875  -6.575 -10.036
   54    HG3  ARG   7          3HG       ARG   7   0.623  -7.508 -10.860
   55    HD2  ARG   7          2HD       ARG   7  -0.545  -5.068 -10.042
   56    HD3  ARG   7          3HD       ARG   7   1.005  -4.680 -10.788
   57    HE   ARG   7           HE       ARG   7  -1.340  -5.727 -12.092
   58   HH11  ARG   7          1HH1      ARG   7   2.118  -5.356 -12.247
   59   HH12  ARG   7          2HH1      ARG   7   2.189  -5.516 -13.971
   60   HH21  ARG   7          1HH2      ARG   7  -1.260  -5.938 -14.362
   61   HH22  ARG   7          2HH2      ARG   7   0.267  -5.846 -15.173
   62    H    VAL   8           H        VAL   8   3.171  -7.537  -8.252
   63    HA   VAL   8           HA       VAL   8   4.105  -8.400 -10.697
   64    HB   VAL   8           HB       VAL   8   5.753  -8.287  -8.168
   65   HG11  VAL   8          1HG1      VAL   8   7.384  -7.424 -10.107
   66   HG12  VAL   8          2HG1      VAL   8   7.253  -9.122  -9.647
   67   HG13  VAL   8          3HG1      VAL   8   6.372  -8.517 -11.051
   68   HG21  VAL   8          1HG2      VAL   8   4.319  -6.217  -9.509
   69   HG22  VAL   8          2HG2      VAL   8   5.364  -6.102  -8.093
   70   HG23  VAL   8          3HG2      VAL   8   6.049  -5.939  -9.710
   71    H    LYS   9           H        LYS   9   4.861 -10.033  -7.615
   72    HA   LYS   9           HA       LYS   9   5.757 -12.407  -8.876
   73    HB2  LYS   9          2HB       LYS   9   4.954 -11.804  -6.030
   74    HB3  LYS   9          3HB       LYS   9   5.582 -13.366  -6.538
   75    HG2  LYS   9          2HG       LYS   9   7.617 -12.586  -6.151
   76    HG3  LYS   9          3HG       LYS   9   7.401 -11.498  -7.524
   77    HD2  LYS   9          2HD       LYS   9   6.062 -10.183  -5.536
   78    HD3  LYS   9          3HD       LYS   9   7.392 -10.933  -4.650
   79    HE2  LYS   9          2HE       LYS   9   8.998  -9.749  -5.792
   80    HE3  LYS   9          3HE       LYS   9   7.977  -9.529  -7.213
   81    HZ1  LYS   9          1HZ       LYS   9   6.822  -8.246  -4.975
   82    HZ2  LYS   9          2HZ       LYS   9   7.320  -7.574  -6.445
   83    HZ3  LYS   9          3HZ       LYS   9   8.419  -7.720  -5.167
  Start of MODEL   11
    1    H1   THR   1           H        THR   1   1.918  -0.475   0.693
    2    HA   THR   1           HA       THR   1   1.338   0.138  -2.119
    3    HB   THR   1           HB       THR   1   4.149   0.096  -1.181
    4    HG1  THR   1           HG1      THR   1   2.203   1.943  -0.247
    5   HG21  THR   1          1HG2      THR   1   3.870   0.822  -3.386
    6   HG22  THR   1          2HG2      THR   1   4.036   2.323  -2.475
    7   HG23  THR   1          3HG2      THR   1   2.441   1.776  -2.990
    8    H    VAL   2           H        VAL   2   1.670  -2.518  -0.315
    9    HA   VAL   2           HA       VAL   2   3.582  -4.005  -1.864
   10    HB   VAL   2           HB       VAL   2   1.495  -5.207  -0.060
   11   HG11  VAL   2          1HG1      VAL   2   4.334  -6.063  -0.590
   12   HG12  VAL   2          2HG1      VAL   2   3.061  -6.977   0.221
   13   HG13  VAL   2          3HG1      VAL   2   2.950  -6.653  -1.509
   14   HG21  VAL   2          1HG2      VAL   2   4.115  -3.942   0.737
   15   HG22  VAL   2          2HG2      VAL   2   2.499  -3.410   1.203
   16   HG23  VAL   2          3HG2      VAL   2   3.122  -4.953   1.788
   17    H    TYR   3           H        TYR   3   0.230  -3.277  -2.101
   18    HA   TYR   3           HA       TYR   3  -0.928  -5.392  -3.351
   19    HB2  TYR   3          2HB       TYR   3  -2.411  -3.854  -4.445
   20    HB3  TYR   3          3HB       TYR   3  -2.003  -3.178  -2.872
   21    HD1  TYR   3           HD1      TYR   3  -2.375  -2.430  -6.257
   22    HD2  TYR   3           HD2      TYR   3   0.138  -1.574  -2.932
   23    HE1  TYR   3           HE1      TYR   3  -1.651  -0.348  -7.348
   24    HE2  TYR   3           HE2      TYR   3   0.868   0.512  -4.013
   25    HH   TYR   3           HH       TYR   3   1.019   1.407  -6.369
   26    H    VAL   4           H        VAL   4   1.366  -3.119  -4.754
   27    HA   VAL   4           HA       VAL   4   1.177  -4.310  -7.384
   28    HB   VAL   4           HB       VAL   4   3.225  -2.779  -7.789
   29   HG11  VAL   4          1HG1      VAL   4   1.375  -0.767  -7.396
   30   HG12  VAL   4          2HG1      VAL   4   1.531  -1.774  -8.837
   31   HG13  VAL   4          3HG1      VAL   4   0.384  -2.215  -7.572
   32   HG21  VAL   4          1HG2      VAL   4   3.938  -1.377  -6.185
   33   HG22  VAL   4          2HG2      VAL   4   2.309  -1.085  -5.574
   34   HG23  VAL   4          3HG2      VAL   4   3.190  -2.532  -5.082
   35    H    TYR   5           H        TYR   5   3.386  -4.354  -4.642
   36    HA   TYR   5           HA       TYR   5   5.567  -5.625  -5.807
   37    HB2  TYR   5          2HB       TYR   5   4.477  -5.522  -3.020
   38    HB3  TYR   5          3HB       TYR   5   5.819  -6.601  -3.383
   39    HD1  TYR   5           HD1      TYR   5   4.807  -3.040  -3.907
   40    HD2  TYR   5           HD2      TYR   5   7.964  -5.784  -3.130
   41    HE1  TYR   5           HE1      TYR   5   6.373  -1.159  -3.666
   42    HE2  TYR   5           HE2      TYR   5   9.539  -3.911  -2.885
   43    HH   TYR   5           HH       TYR   5   9.471  -1.304  -3.916
   44    H    SER   6           H        SER   6   2.452  -6.860  -4.986
   45    HA   SER   6           HA       SER   6   3.265  -9.632  -5.003
   46    HB2  SER   6          2HB       SER   6   1.429  -9.128  -3.572
   47    HB3  SER   6          3HB       SER   6   0.577  -8.264  -4.852
   48    HG   SER   6           HG       SER   6  -0.384 -10.169  -4.958
   49    H    ARG   7           H        ARG   7   2.088  -7.286  -7.264
   50    HA   ARG   7           HA       ARG   7   1.187  -9.149  -9.237
   51    HB2  ARG   7          2HB       ARG   7   2.052  -6.345  -9.866
   52    HB3  ARG   7          3HB       ARG   7   0.765  -7.295 -10.596
   53    HG2  ARG   7          2HG       ARG   7  -0.588  -7.060  -8.609
   54    HG3  ARG   7          3HG       ARG   7   0.720  -6.204  -7.790
   55    HD2  ARG   7          2HD       ARG   7   0.553  -4.362  -9.302
   56    HD3  ARG   7          3HD       ARG   7  -0.567  -5.245 -10.339
   57    HE   ARG   7           HE       ARG   7  -1.199  -3.811  -7.934
   58   HH11  ARG   7          1HH1      ARG   7  -2.167  -6.402 -10.049
   59   HH12  ARG   7          2HH1      ARG   7  -3.834  -6.336  -9.579
   60   HH21  ARG   7          1HH2      ARG   7  -3.390  -3.715  -7.308
   61   HH22  ARG   7          2HH2      ARG   7  -4.528  -4.807  -8.021
   62    H    VAL   8           H        VAL   8   4.069  -7.067  -8.982
   63    HA   VAL   8           HA       VAL   8   5.407  -7.752 -11.261
   64    HB   VAL   8           HB       VAL   8   6.735  -7.459  -8.565
   65   HG11  VAL   8          1HG1      VAL   8   8.440  -6.318 -10.239
   66   HG12  VAL   8          2HG1      VAL   8   8.466  -8.055  -9.927
   67   HG13  VAL   8          3HG1      VAL   8   7.684  -7.430 -11.380
   68   HG21  VAL   8          1HG2      VAL   8   5.674  -5.470  -8.563
   69   HG22  VAL   8          2HG2      VAL   8   6.939  -5.019  -9.706
   70   HG23  VAL   8          3HG2      VAL   8   5.354  -5.518 -10.297
   71    H    LYS   9           H        LYS   9   6.036  -9.343  -8.129
   72    HA   LYS   9           HA       LYS   9   7.384 -11.538  -9.362
   73    HB2  LYS   9          2HB       LYS   9   7.454 -12.490  -7.099
   74    HB3  LYS   9          3HB       LYS   9   7.967 -10.808  -7.107
   75    HG2  LYS   9          2HG       LYS   9   5.490 -10.322  -6.497
   76    HG3  LYS   9          3HG       LYS   9   5.470 -12.019  -6.011
   77    HD2  LYS   9          2HD       LYS   9   7.588 -11.450  -4.673
   78    HD3  LYS   9          3HD       LYS   9   7.122  -9.764  -4.914
   79    HE2  LYS   9          2HE       LYS   9   4.840 -10.462  -3.985
   80    HE3  LYS   9          3HE       LYS   9   5.651 -11.930  -3.441
   81    HZ1  LYS   9          1HZ       LYS   9   6.429 -10.835  -1.699
   82    HZ2  LYS   9          2HZ       LYS   9   5.589  -9.449  -2.184
   83    HZ3  LYS   9          3HZ       LYS   9   7.184  -9.693  -2.693
  Start of MODEL   12
    1    H1   THR   1           H        THR   1   1.718  -0.103   0.552
    2    HA   THR   1           HA       THR   1   1.250   0.382  -2.306
    3    HB   THR   1           HB       THR   1   4.028   0.221  -1.287
    4    HG1  THR   1           HG1      THR   1   3.851   2.373  -0.441
    5   HG21  THR   1          1HG2      THR   1   2.477   1.911  -3.226
    6   HG22  THR   1          2HG2      THR   1   3.838   0.833  -3.539
    7   HG23  THR   1          3HG2      THR   1   4.099   2.365  -2.706
    8    H    VAL   2           H        VAL   2   1.368  -2.181  -0.348
    9    HA   VAL   2           HA       VAL   2   3.221  -3.869  -1.756
   10    HB   VAL   2           HB       VAL   2   1.018  -4.835   0.053
   11   HG11  VAL   2          1HG1      VAL   2   2.413  -6.449  -1.273
   12   HG12  VAL   2          2HG1      VAL   2   3.808  -5.896  -0.345
   13   HG13  VAL   2          3HG1      VAL   2   2.457  -6.680   0.475
   14   HG21  VAL   2          1HG2      VAL   2   2.103  -3.034   1.239
   15   HG22  VAL   2          2HG2      VAL   2   2.609  -4.576   1.929
   16   HG23  VAL   2          3HG2      VAL   2   3.693  -3.694   0.853
   17    H    TYR   3           H        TYR   3  -0.073  -2.953  -2.128
   18    HA   TYR   3           HA       TYR   3  -1.329  -5.061  -3.291
   19    HB2  TYR   3          2HB       TYR   3  -2.686  -3.500  -4.510
   20    HB3  TYR   3          3HB       TYR   3  -2.275  -2.761  -2.966
   21    HD1  TYR   3           HD1      TYR   3  -0.036  -1.298  -3.055
   22    HD2  TYR   3           HD2      TYR   3  -2.519  -2.185  -6.394
   23    HE1  TYR   3           HE1      TYR   3   0.850   0.673  -4.229
   24    HE2  TYR   3           HE2      TYR   3  -1.639  -0.217  -7.578
   25    HH   TYR   3           HH       TYR   3   1.018   1.245  -6.996
   26    H    VAL   4           H        VAL   4   1.134  -3.013  -4.754
   27    HA   VAL   4           HA       VAL   4   0.937  -4.337  -7.318
   28    HB   VAL   4           HB       VAL   4   3.088  -2.963  -7.748
   29   HG11  VAL   4          1HG1      VAL   4   1.360  -0.820  -7.518
   30   HG12  VAL   4          2HG1      VAL   4   1.489  -1.914  -8.897
   31   HG13  VAL   4          3HG1      VAL   4   0.285  -2.212  -7.643
   32   HG21  VAL   4          1HG2      VAL   4   3.000  -2.563  -5.061
   33   HG22  VAL   4          2HG2      VAL   4   3.850  -1.520  -6.201
   34   HG23  VAL   4          3HG2      VAL   4   2.228  -1.093  -5.656
   35    H    TYR   5           H        TYR   5   3.071  -4.364  -4.517
   36    HA   TYR   5           HA       TYR   5   5.191  -5.837  -5.553
   37    HB2  TYR   5          2HB       TYR   5   4.051  -5.507  -2.802
   38    HB3  TYR   5          3HB       TYR   5   5.339  -6.675  -3.074
   39    HD1  TYR   5           HD1      TYR   5   7.513  -5.960  -2.788
   40    HD2  TYR   5           HD2      TYR   5   4.541  -3.104  -3.844
   41    HE1  TYR   5           HE1      TYR   5   9.185  -4.164  -2.612
   42    HE2  TYR   5           HE2      TYR   5   6.205  -1.300  -3.672
   43    HH   TYR   5           HH       TYR   5   8.328  -0.850  -2.616
   44    H    SER   6           H        SER   6   1.986  -6.818  -4.746
   45    HA   SER   6           HA       SER   6   2.616  -9.633  -4.574
   46    HB2  SER   6          2HB       SER   6   0.549  -8.111  -3.616
   47    HB3  SER   6          3HB       SER   6  -0.197  -8.886  -5.013
   48    HG   SER   6           HG       SER   6  -0.051 -10.780  -4.060
   49    H    ARG   7           H        ARG   7   1.652  -7.359  -7.004
   50    HA   ARG   7           HA       ARG   7   0.675  -9.275  -8.887
   51    HB2  ARG   7          2HB       ARG   7   1.752  -6.581  -9.657
   52    HB3  ARG   7          3HB       ARG   7   0.422  -7.485 -10.368
   53    HG2  ARG   7          2HG       ARG   7  -0.963  -7.039  -8.438
   54    HG3  ARG   7          3HG       ARG   7   0.379  -6.218  -7.638
   55    HD2  ARG   7          2HD       ARG   7   0.358  -4.454  -9.225
   56    HD3  ARG   7          3HD       ARG   7  -0.733  -5.338 -10.291
   57    HE   ARG   7           HE       ARG   7  -1.814  -4.771  -7.679
   58   HH11  ARG   7          1HH1      ARG   7  -1.411  -3.638 -10.946
   59   HH12  ARG   7          2HH1      ARG   7  -2.776  -2.573 -10.883
   60   HH21  ARG   7          1HH2      ARG   7  -3.614  -3.373  -7.584
   61   HH22  ARG   7          2HH2      ARG   7  -4.028  -2.422  -8.971
   62    H    VAL   8           H        VAL   8   3.687  -7.378  -8.686
   63    HA   VAL   8           HA       VAL   8   5.028  -8.302 -10.876
   64    HB   VAL   8           HB       VAL   8   6.310  -7.916  -8.169
   65   HG11  VAL   8          1HG1      VAL   8   8.140  -7.018  -9.838
   66   HG12  VAL   8          2HG1      VAL   8   8.012  -8.738  -9.461
   67   HG13  VAL   8          3HG1      VAL   8   7.326  -8.108 -10.959
   68   HG21  VAL   8          1HG2      VAL   8   5.363  -5.872  -8.337
   69   HG22  VAL   8          2HG2      VAL   8   6.709  -5.576  -9.437
   70   HG23  VAL   8          3HG2      VAL   8   5.124  -6.006 -10.079
   71    H    LYS   9           H        LYS   9   5.474  -9.717  -7.629
   72    HA   LYS   9           HA       LYS   9   6.574 -12.128  -8.778
   73    HB2  LYS   9          2HB       LYS   9   6.173 -11.077  -6.006
   74    HB3  LYS   9          3HB       LYS   9   6.456 -12.798  -6.234
   75    HG2  LYS   9          2HG       LYS   9   8.630 -12.488  -6.557
   76    HG3  LYS   9          3HG       LYS   9   8.348 -11.194  -7.724
   77    HD2  LYS   9          2HD       LYS   9   9.400  -9.995  -6.093
   78    HD3  LYS   9          3HD       LYS   9   7.737  -9.850  -5.521
   79    HE2  LYS   9          2HE       LYS   9   9.210 -10.434  -3.685
   80    HE3  LYS   9          3HE       LYS   9   8.101 -11.761  -4.023
   81    HZ1  LYS   9          1HZ       LYS   9  10.807 -11.696  -5.203
   82    HZ2  LYS   9          2HZ       LYS   9   9.783 -13.023  -4.978
   83    HZ3  LYS   9          3HZ       LYS   9  10.548 -12.312  -3.648
  Start of MODEL   13
    1    H1   THR   1           H        THR   1   2.461   1.040  -3.211
    2    HA   THR   1           HA       THR   1   3.084   0.538  -0.373
    3    HB   THR   1           HB       THR   1   0.611  -0.705  -1.257
    4    HG1  THR   1           HG1      THR   1  -0.550   1.316  -1.354
    5   HG21  THR   1          1HG2      THR   1   1.516   1.063   0.991
    6   HG22  THR   1          2HG2      THR   1   0.973  -0.614   1.046
    7   HG23  THR   1          3HG2      THR   1  -0.191   0.681   0.772
    8    H    VAL   2           H        VAL   2   1.962  -1.938  -0.087
    9    HA   VAL   2           HA       VAL   2   3.883  -3.590  -1.470
   10    HB   VAL   2           HB       VAL   2   1.724  -4.557   0.394
   11   HG11  VAL   2          1HG1      VAL   2   4.473  -5.627  -0.232
   12   HG12  VAL   2          2HG1      VAL   2   3.286  -6.362   0.847
   13   HG13  VAL   2          3HG1      VAL   2   2.959  -6.253  -0.883
   14   HG21  VAL   2          1HG2      VAL   2   4.449  -3.490   1.126
   15   HG22  VAL   2          2HG2      VAL   2   2.903  -2.724   1.490
   16   HG23  VAL   2          3HG2      VAL   2   3.317  -4.269   2.231
   17    H    TYR   3           H        TYR   3   0.603  -2.704  -1.874
   18    HA   TYR   3           HA       TYR   3  -0.614  -4.884  -2.996
   19    HB2  TYR   3          2HB       TYR   3  -2.123  -3.410  -4.017
   20    HB3  TYR   3          3HB       TYR   3  -1.513  -2.492  -2.645
   21    HD1  TYR   3           HD1      TYR   3  -2.251  -2.327  -6.046
   22    HD2  TYR   3           HD2      TYR   3   0.665  -1.047  -3.224
   23    HE1  TYR   3           HE1      TYR   3  -1.586  -0.511  -7.566
   24    HE2  TYR   3           HE2      TYR   3   1.337   0.774  -4.736
   25    HH   TYR   3           HH       TYR   3  -0.315   1.996  -6.992
   26    H    VAL   4           H        VAL   4   1.848  -2.830  -4.402
   27    HA   VAL   4           HA       VAL   4   1.610  -3.979  -7.036
   28    HB   VAL   4           HB       VAL   4   3.894  -2.750  -7.311
   29   HG11  VAL   4          1HG1      VAL   4   2.263  -0.524  -7.037
   30   HG12  VAL   4          2HG1      VAL   4   2.443  -1.526  -8.478
   31   HG13  VAL   4          3HG1      VAL   4   1.142  -1.852  -7.333
   32   HG21  VAL   4          1HG2      VAL   4   4.635  -1.382  -5.677
   33   HG22  VAL   4          2HG2      VAL   4   3.008  -0.966  -5.138
   34   HG23  VAL   4          3HG2      VAL   4   3.744  -2.487  -4.630
   35    H    TYR   5           H        TYR   5   3.744  -4.331  -4.248
   36    HA   TYR   5           HA       TYR   5   5.700  -5.950  -5.428
   37    HB2  TYR   5          2HB       TYR   5   4.731  -5.653  -2.594
   38    HB3  TYR   5          3HB       TYR   5   6.008  -6.789  -3.012
   39    HD1  TYR   5           HD1      TYR   5   8.227  -6.051  -3.369
   40    HD2  TYR   5           HD2      TYR   5   5.083  -3.204  -3.029
   41    HE1  TYR   5           HE1      TYR   5   9.888  -4.243  -3.227
   42    HE2  TYR   5           HE2      TYR   5   6.736  -1.388  -2.887
   43    HH   TYR   5           HH       TYR   5  10.189  -2.056  -2.711
   44    H    SER   6           H        SER   6   2.488  -6.662  -4.326
   45    HA   SER   6           HA       SER   6   2.928  -9.540  -4.442
   46    HB2  SER   6          2HB       SER   6   1.002  -7.785  -3.182
   47    HB3  SER   6          3HB       SER   6   0.187  -9.049  -4.102
   48    HG   SER   6           HG       SER   6   1.487 -10.574  -2.963
   49    H    ARG   7           H        ARG   7   1.604  -6.965  -6.347
   50    HA   ARG   7           HA       ARG   7   0.111  -8.670  -8.118
   51    HB2  ARG   7          2HB       ARG   7  -0.867  -6.669  -8.392
   52    HB3  ARG   7          3HB       ARG   7   0.528  -5.811  -7.752
   53    HG2  ARG   7          2HG       ARG   7   0.175  -5.066  -9.979
   54    HG3  ARG   7          3HG       ARG   7   1.621  -6.078  -9.978
   55    HD2  ARG   7          2HD       ARG   7   0.715  -7.463 -11.461
   56    HD3  ARG   7          3HD       ARG   7  -0.706  -7.691 -10.442
   57    HE   ARG   7           HE       ARG   7  -0.465  -5.952 -12.728
   58   HH11  ARG   7          1HH1      ARG   7  -2.215  -6.643  -9.799
   59   HH12  ARG   7          2HH1      ARG   7  -3.655  -5.829 -10.313
   60   HH21  ARG   7          1HH2      ARG   7  -2.355  -4.878 -13.416
   61   HH22  ARG   7          2HH2      ARG   7  -3.734  -4.826 -12.371
   62    H    VAL   8           H        VAL   8   3.252  -7.060  -8.157
   63    HA   VAL   8           HA       VAL   8   4.000  -7.484 -10.789
   64    HB   VAL   8           HB       VAL   8   5.735  -7.556  -8.318
   65   HG11  VAL   8          1HG1      VAL   8   7.443  -6.777 -10.181
   66   HG12  VAL   8          2HG1      VAL   8   7.174  -8.485  -9.829
   67   HG13  VAL   8          3HG1      VAL   8   6.380  -7.733 -11.213
   68   HG21  VAL   8          1HG2      VAL   8   5.683  -5.325  -8.320
   69   HG22  VAL   8          2HG2      VAL   8   5.915  -5.240 -10.066
   70   HG23  VAL   8          3HG2      VAL   8   4.297  -5.465  -9.402
   71    H    LYS   9           H        LYS   9   5.028  -9.533  -8.053
   72    HA   LYS   9           HA       LYS   9   5.297 -11.773  -9.935
   73    HB2  LYS   9          2HB       LYS   9   6.765 -12.794  -8.287
   74    HB3  LYS   9          3HB       LYS   9   7.313 -11.164  -8.655
   75    HG2  LYS   9          2HG       LYS   9   5.822 -10.580  -6.549
   76    HG3  LYS   9          3HG       LYS   9   6.165 -12.265  -6.153
   77    HD2  LYS   9          2HD       LYS   9   8.480 -11.889  -6.074
   78    HD3  LYS   9          3HD       LYS   9   8.346 -10.351  -6.930
   79    HE2  LYS   9          2HE       LYS   9   8.320  -9.332  -4.955
   80    HE3  LYS   9          3HE       LYS   9   6.756 -10.082  -4.645
   81    HZ1  LYS   9          1HZ       LYS   9   9.386 -11.291  -3.983
   82    HZ2  LYS   9          2HZ       LYS   9   7.869 -11.952  -3.633
   83    HZ3  LYS   9          3HZ       LYS   9   8.363 -10.522  -2.876
  Start of MODEL   14
    1    H1   THR   1           H        THR   1   2.437   1.078  -3.214
    2    HA   THR   1           HA       THR   1   3.038   0.594  -0.368
    3    HB   THR   1           HB       THR   1   0.573  -0.656  -1.263
    4    HG1  THR   1           HG1      THR   1   0.313   1.168  -2.552
    5   HG21  THR   1          1HG2      THR   1   1.456   1.131   0.980
    6   HG22  THR   1          2HG2      THR   1   0.920  -0.548   1.042
    7   HG23  THR   1          3HG2      THR   1  -0.248   0.740   0.750
    8    H    VAL   2           H        VAL   2   1.914  -1.880  -0.075
    9    HA   VAL   2           HA       VAL   2   3.847  -3.540  -1.433
   10    HB   VAL   2           HB       VAL   2   1.673  -4.496   0.421
   11   HG11  VAL   2          1HG1      VAL   2   3.232  -6.297   0.897
   12   HG12  VAL   2          2HG1      VAL   2   2.919  -6.201  -0.837
   13   HG13  VAL   2          3HG1      VAL   2   4.428  -5.570  -0.176
   14   HG21  VAL   2          1HG2      VAL   2   4.393  -3.425   1.167
   15   HG22  VAL   2          2HG2      VAL   2   2.844  -2.656   1.514
   16   HG23  VAL   2          3HG2      VAL   2   3.252  -4.197   2.268
   17    H    TYR   3           H        TYR   3   0.570  -2.658  -1.868
   18    HA   TYR   3           HA       TYR   3  -0.638  -4.845  -2.985
   19    HB2  TYR   3          2HB       TYR   3  -2.139  -3.379  -4.028
   20    HB3  TYR   3          3HB       TYR   3  -1.541  -2.452  -2.656
   21    HD1  TYR   3           HD1      TYR   3  -2.251  -2.308  -6.065
   22    HD2  TYR   3           HD2      TYR   3   0.641  -1.009  -3.228
   23    HE1  TYR   3           HE1      TYR   3  -1.575  -0.501  -7.591
   24    HE2  TYR   3           HE2      TYR   3   1.325   0.802  -4.745
   25    HH   TYR   3           HH       TYR   3  -0.149   1.164  -7.955
   26    H    VAL   4           H        VAL   4   1.834  -2.799  -4.386
   27    HA   VAL   4           HA       VAL   4   1.618  -3.965  -7.013
   28    HB   VAL   4           HB       VAL   4   3.904  -2.736  -7.279
   29   HG11  VAL   4          1HG1      VAL   4   1.151  -1.841  -7.329
   30   HG12  VAL   4          2HG1      VAL   4   2.270  -0.508  -7.031
   31   HG13  VAL   4          3HG1      VAL   4   2.463  -1.520  -8.463
   32   HG21  VAL   4          1HG2      VAL   4   4.632  -1.359  -5.647
   33   HG22  VAL   4          2HG2      VAL   4   3.001  -0.940  -5.124
   34   HG23  VAL   4          3HG2      VAL   4   3.732  -2.457  -4.601
   35    H    TYR   5           H        TYR   5   3.730  -4.299  -4.207
   36    HA   TYR   5           HA       TYR   5   5.695  -5.924  -5.362
   37    HB2  TYR   5          2HB       TYR   5   4.704  -5.611  -2.537
   38    HB3  TYR   5          3HB       TYR   5   5.986  -6.748  -2.939
   39    HD1  TYR   5           HD1      TYR   5   5.056  -3.155  -3.102
   40    HD2  TYR   5           HD2      TYR   5   8.205  -6.016  -3.169
   41    HE1  TYR   5           HE1      TYR   5   6.704  -1.335  -2.958
   42    HE2  TYR   5           HE2      TYR   5   9.862  -4.204  -3.024
   43    HH   TYR   5           HH       TYR   5   9.232  -1.210  -2.049
   44    H    SER   6           H        SER   6   2.475  -6.630  -4.281
   45    HA   SER   6           HA       SER   6   2.916  -9.508  -4.374
   46    HB2  SER   6          2HB       SER   6   1.332  -8.059  -2.759
   47    HB3  SER   6          3HB       SER   6   0.175  -8.410  -4.042
   48    HG   SER   6           HG       SER   6   1.622 -10.240  -2.440
   49    H    ARG   7           H        ARG   7   1.606  -6.946  -6.306
   50    HA   ARG   7           HA       ARG   7   0.127  -8.663  -8.077
   51    HB2  ARG   7          2HB       ARG   7  -0.850  -6.664  -8.372
   52    HB3  ARG   7          3HB       ARG   7   0.540  -5.801  -7.725
   53    HG2  ARG   7          2HG       ARG   7   0.204  -5.070  -9.960
   54    HG3  ARG   7          3HG       ARG   7   1.650  -6.082  -9.942
   55    HD2  ARG   7          2HD       ARG   7   0.756  -7.476 -11.423
   56    HD3  ARG   7          3HD       ARG   7  -0.672  -7.698 -10.413
   57    HE   ARG   7           HE       ARG   7  -0.415  -5.973 -12.708
   58   HH11  ARG   7          1HH1      ARG   7  -2.186  -6.647  -9.788
   59   HH12  ARG   7          2HH1      ARG   7  -3.623  -5.838 -10.318
   60   HH21  ARG   7          1HH2      ARG   7  -2.301  -4.904 -13.417
   61   HH22  ARG   7          2HH2      ARG   7  -3.688  -4.847 -12.383
   62    H    VAL   8           H        VAL   8   3.268  -7.052  -8.102
   63    HA   VAL   8           HA       VAL   8   4.035  -7.492 -10.726
   64    HB   VAL   8           HB       VAL   8   5.751  -7.548  -8.241
   65   HG11  VAL   8          1HG1      VAL   8   6.429  -7.691 -11.140
   66   HG12  VAL   8          2HG1      VAL   8   7.500  -6.808 -10.050
   67   HG13  VAL   8          3HG1      VAL   8   7.167  -8.517  -9.768
   68   HG21  VAL   8          1HG2      VAL   8   5.845  -5.296  -8.332
   69   HG22  VAL   8          2HG2      VAL   8   5.810  -5.259 -10.095
   70   HG23  VAL   8          3HG2      VAL   8   4.312  -5.469  -9.188
   71    H    LYS   9           H        LYS   9   5.043  -9.524  -7.970
   72    HA   LYS   9           HA       LYS   9   5.995 -11.641  -9.550
   73    HB2  LYS   9          2HB       LYS   9   5.127 -11.466  -6.672
   74    HB3  LYS   9          3HB       LYS   9   5.697 -12.975  -7.373
   75    HG2  LYS   9          2HG       LYS   9   7.760 -12.350  -6.880
   76    HG3  LYS   9          3HG       LYS   9   7.607 -11.061  -8.076
   77    HD2  LYS   9          2HD       LYS   9   7.258  -9.458  -6.502
   78    HD3  LYS   9          3HD       LYS   9   6.420 -10.561  -5.409
   79    HE2  LYS   9          2HE       LYS   9   9.350 -10.885  -5.910
   80    HE3  LYS   9          3HE       LYS   9   8.780  -9.653  -4.785
   81    HZ1  LYS   9          1HZ       LYS   9   9.237 -11.628  -3.565
   82    HZ2  LYS   9          2HZ       LYS   9   8.315 -12.578  -4.618
   83    HZ3  LYS   9          3HZ       LYS   9   7.556 -11.447  -3.615
  Start of MODEL   15
    1    H1   THR   1           H        THR   1   1.387   0.431   0.484
    2    HA   THR   1           HA       THR   1   2.193   0.620  -2.255
    3    HB   THR   1           HB       THR   1   4.323   0.001  -0.343
    4    HG1  THR   1           HG1      THR   1   4.000   2.141   0.679
    5   HG21  THR   1          1HG2      THR   1   5.445   1.345  -1.728
    6   HG22  THR   1          2HG2      THR   1   4.301   2.663  -1.471
    7   HG23  THR   1          3HG2      THR   1   3.982   1.445  -2.705
    8    H    VAL   2           H        VAL   2   1.349  -1.974  -0.365
    9    HA   VAL   2           HA       VAL   2   3.280  -3.834  -1.509
   10    HB   VAL   2           HB       VAL   2   0.941  -4.547   0.251
   11   HG11  VAL   2          1HG1      VAL   2   3.617  -5.892  -0.083
   12   HG12  VAL   2          2HG1      VAL   2   2.202  -6.508   0.773
   13   HG13  VAL   2          3HG1      VAL   2   2.169  -6.342  -0.983
   14   HG21  VAL   2          1HG2      VAL   2   2.220  -2.808   1.379
   15   HG22  VAL   2          2HG2      VAL   2   2.460  -4.367   2.168
   16   HG23  VAL   2          3HG2      VAL   2   3.711  -3.712   1.111
   17    H    TYR   3           H        TYR   3   0.052  -2.728  -2.013
   18    HA   TYR   3           HA       TYR   3  -1.245  -4.814  -3.203
   19    HB2  TYR   3          2HB       TYR   3  -2.072  -2.870  -4.840
   20    HB3  TYR   3          3HB       TYR   3  -2.590  -2.968  -3.161
   21    HD1  TYR   3           HD1      TYR   3   0.145  -1.479  -5.227
   22    HD2  TYR   3           HD2      TYR   3  -2.405  -1.078  -1.844
   23    HE1  TYR   3           HE1      TYR   3   1.041   0.776  -4.826
   24    HE2  TYR   3           HE2      TYR   3  -1.516   1.179  -1.435
   25    HH   TYR   3           HH       TYR   3   0.749   2.399  -2.022
   26    H    VAL   4           H        VAL   4   1.388  -2.912  -4.509
   27    HA   VAL   4           HA       VAL   4   1.180  -4.139  -7.131
   28    HB   VAL   4           HB       VAL   4   3.399  -2.858  -7.474
   29   HG11  VAL   4          1HG1      VAL   4   1.288  -0.881  -6.912
   30   HG12  VAL   4          2HG1      VAL   4   2.180  -1.202  -8.401
   31   HG13  VAL   4          3HG1      VAL   4   0.820  -2.229  -7.947
   32   HG21  VAL   4          1HG2      VAL   4   3.223  -2.508  -4.765
   33   HG22  VAL   4          2HG2      VAL   4   4.215  -1.541  -5.855
   34   HG23  VAL   4          3HG2      VAL   4   2.614  -0.973  -5.384
   35    H    TYR   5           H        TYR   5   3.214  -4.334  -4.265
   36    HA   TYR   5           HA       TYR   5   5.288  -5.895  -5.287
   37    HB2  TYR   5          2HB       TYR   5   4.116  -5.563  -2.544
   38    HB3  TYR   5          3HB       TYR   5   5.389  -6.746  -2.826
   39    HD1  TYR   5           HD1      TYR   5   7.511  -6.039  -2.295
   40    HD2  TYR   5           HD2      TYR   5   4.715  -3.178  -3.743
   41    HE1  TYR   5           HE1      TYR   5   9.208  -4.274  -2.066
   42    HE2  TYR   5           HE2      TYR   5   6.404  -1.405  -3.519
   43    HH   TYR   5           HH       TYR   5   8.590  -0.977  -3.167
   44    H    SER   6           H        SER   6   2.043  -6.740  -4.370
   45    HA   SER   6           HA       SER   6   2.588  -9.592  -4.424
   46    HB2  SER   6          2HB       SER   6   0.817  -8.201  -2.976
   47    HB3  SER   6          3HB       SER   6  -0.206  -8.568  -4.365
   48    HG   SER   6           HG       SER   6   1.297 -10.551  -3.018
   49    H    ARG   7           H        ARG   7   1.352  -7.107  -6.506
   50    HA   ARG   7           HA       ARG   7   0.123  -8.905  -8.383
   51    HB2  ARG   7          2HB       ARG   7  -0.903  -6.954  -8.803
   52    HB3  ARG   7          3HB       ARG   7   0.379  -6.026  -8.036
   53    HG2  ARG   7          2HG       ARG   7   0.236  -5.329 -10.301
   54    HG3  ARG   7          3HG       ARG   7   1.711  -6.282 -10.131
   55    HD2  ARG   7          2HD       ARG   7   1.013  -7.548 -11.819
   56    HD3  ARG   7          3HD       ARG   7  -0.298  -8.114 -10.785
   57    HE   ARG   7           HE       ARG   7  -0.868  -5.618 -12.080
   58   HH11  ARG   7          1HH1      ARG   7  -0.917  -9.083 -12.418
   59   HH12  ARG   7          2HH1      ARG   7  -2.168  -9.079 -13.618
   60   HH21  ARG   7          1HH2      ARG   7  -2.515  -5.600 -13.659
   61   HH22  ARG   7          2HH2      ARG   7  -3.075  -7.097 -14.323
   62    H    VAL   8           H        VAL   8   3.186  -7.172  -8.134
   63    HA   VAL   8           HA       VAL   8   4.219  -7.591 -10.664
   64    HB   VAL   8           HB       VAL   8   5.724  -7.638  -8.045
   65   HG11  VAL   8          1HG1      VAL   8   6.587  -7.836 -10.845
   66   HG12  VAL   8          2HG1      VAL   8   7.449  -6.634  -9.882
   67   HG13  VAL   8          3HG1      VAL   8   7.412  -8.320  -9.364
   68   HG21  VAL   8          1HG2      VAL   8   6.087  -5.227  -9.475
   69   HG22  VAL   8          2HG2      VAL   8   4.354  -5.548  -9.420
   70   HG23  VAL   8          3HG2      VAL   8   5.284  -5.464  -7.923
   71    H    LYS   9           H        LYS   9   5.027  -9.592  -7.821
   72    HA   LYS   9           HA       LYS   9   6.099 -11.699  -9.395
   73    HB2  LYS   9          2HB       LYS   9   5.372 -11.399  -6.498
   74    HB3  LYS   9          3HB       LYS   9   5.837 -12.970  -7.137
   75    HG2  LYS   9          2HG       LYS   9   7.937 -12.392  -6.728
   76    HG3  LYS   9          3HG       LYS   9   7.801 -11.253  -8.070
   77    HD2  LYS   9          2HD       LYS   9   7.363  -9.452  -6.654
   78    HD3  LYS   9          3HD       LYS   9   6.896 -10.500  -5.312
   79    HE2  LYS   9          2HE       LYS   9   9.052 -10.889  -4.689
   80    HE3  LYS   9          3HE       LYS   9   9.669 -10.745  -6.335
   81    HZ1  LYS   9          1HZ       LYS   9   9.063  -8.612  -4.395
   82    HZ2  LYS   9          2HZ       LYS   9   9.062  -8.277  -6.053
   83    HZ3  LYS   9          3HZ       LYS   9  10.467  -8.855  -5.308
  Start of MODEL   16
    1    H1   THR   1           H        THR   1   1.465   0.418   0.531
    2    HA   THR   1           HA       THR   1   2.149   0.593  -2.226
    3    HB   THR   1           HB       THR   1   4.421   0.053  -0.498
    4    HG1  THR   1           HG1      THR   1   4.008   1.386   1.115
    5   HG21  THR   1          1HG2      THR   1   3.526   2.517  -2.000
    6   HG22  THR   1          2HG2      THR   1   4.550   1.232  -2.640
    7   HG23  THR   1          3HG2      THR   1   5.132   2.248  -1.322
    8    H    VAL   2           H        VAL   2   1.492  -2.042  -0.319
    9    HA   VAL   2           HA       VAL   2   3.441  -3.819  -1.560
   10    HB   VAL   2           HB       VAL   2   1.214  -4.632   0.298
   11   HG11  VAL   2          1HG1      VAL   2   3.922  -5.869  -0.164
   12   HG12  VAL   2          2HG1      VAL   2   2.572  -6.545   0.750
   13   HG13  VAL   2          3HG1      VAL   2   2.454  -6.372  -1.002
   14   HG21  VAL   2          1HG2      VAL   2   2.473  -2.850   1.380
   15   HG22  VAL   2          2HG2      VAL   2   2.809  -4.402   2.146
   16   HG23  VAL   2          3HG2      VAL   2   3.984  -3.693   1.038
   17    H    TYR   3           H        TYR   3   0.152  -2.838  -1.911
   18    HA   TYR   3           HA       TYR   3  -1.115  -4.967  -3.055
   19    HB2  TYR   3          2HB       TYR   3  -2.090  -3.050  -4.641
   20    HB3  TYR   3          3HB       TYR   3  -2.527  -3.175  -2.941
   21    HD1  TYR   3           HD1      TYR   3   0.052  -1.571  -5.120
   22    HD2  TYR   3           HD2      TYR   3  -2.354  -1.285  -1.622
   23    HE1  TYR   3           HE1      TYR   3   0.878   0.715  -4.746
   24    HE2  TYR   3           HE2      TYR   3  -1.536   1.003  -1.240
   25    HH   TYR   3           HH       TYR   3  -0.564   2.881  -2.712
   26    H    VAL   4           H        VAL   4   1.380  -2.958  -4.467
   27    HA   VAL   4           HA       VAL   4   1.102  -4.180  -7.084
   28    HB   VAL   4           HB       VAL   4   3.252  -2.812  -7.518
   29   HG11  VAL   4          1HG1      VAL   4   1.932  -1.196  -8.375
   30   HG12  VAL   4          2HG1      VAL   4   0.634  -2.282  -7.876
   31   HG13  VAL   4          3HG1      VAL   4   1.092  -0.923  -6.849
   32   HG21  VAL   4          1HG2      VAL   4   3.185  -2.482  -4.801
   33   HG22  VAL   4          2HG2      VAL   4   4.089  -1.472  -5.930
   34   HG23  VAL   4          3HG2      VAL   4   2.490  -0.969  -5.383
   35    H    TYR   5           H        TYR   5   3.270  -4.309  -4.314
   36    HA   TYR   5           HA       TYR   5   5.355  -5.783  -5.438
   37    HB2  TYR   5          2HB       TYR   5   4.296  -5.509  -2.643
   38    HB3  TYR   5          3HB       TYR   5   5.599  -6.640  -2.989
   39    HD1  TYR   5           HD1      TYR   5   4.746  -3.097  -3.851
   40    HD2  TYR   5           HD2      TYR   5   7.715  -5.855  -2.554
   41    HE1  TYR   5           HE1      TYR   5   6.374  -1.260  -3.691
   42    HE2  TYR   5           HE2      TYR   5   9.350  -4.026  -2.389
   43    HH   TYR   5           HH       TYR   5   9.079  -1.183  -3.820
   44    H    SER   6           H        SER   6   2.189  -6.757  -4.383
   45    HA   SER   6           HA       SER   6   2.841  -9.586  -4.478
   46    HB2  SER   6          2HB       SER   6   1.293  -9.177  -2.785
   47    HB3  SER   6          3HB       SER   6   0.400  -8.000  -3.748
   48    HG   SER   6           HG       SER   6  -0.857  -9.584  -4.278
   49    H    ARG   7           H        ARG   7   1.417  -7.142  -6.488
   50    HA   ARG   7           HA       ARG   7   0.175  -8.978  -8.318
   51    HB2  ARG   7          2HB       ARG   7  -0.943  -7.066  -8.679
   52    HB3  ARG   7          3HB       ARG   7   0.336  -6.092  -7.965
   53    HG2  ARG   7          2HG       ARG   7   0.063  -5.391 -10.217
   54    HG3  ARG   7          3HG       ARG   7   1.581  -6.287 -10.120
   55    HD2  ARG   7          2HD       ARG   7   0.856  -7.569 -11.783
   56    HD3  ARG   7          3HD       ARG   7  -0.382  -8.194 -10.694
   57    HE   ARG   7           HE       ARG   7  -1.453  -5.883 -11.640
   58   HH11  ARG   7          1HH1      ARG   7  -0.106  -8.725 -13.133
   59   HH12  ARG   7          2HH1      ARG   7  -1.108  -8.619 -14.542
   60   HH21  ARG   7          1HH2      ARG   7  -2.777  -5.732 -13.491
   61   HH22  ARG   7          2HH2      ARG   7  -2.626  -6.915 -14.746
   62    H    VAL   8           H        VAL   8   3.177  -7.126  -8.196
   63    HA   VAL   8           HA       VAL   8   4.111  -7.494 -10.773
   64    HB   VAL   8           HB       VAL   8   5.733  -7.494  -8.224
   65   HG11  VAL   8          1HG1      VAL   8   6.476  -7.668 -11.054
   66   HG12  VAL   8          2HG1      VAL   8   7.320  -6.408 -10.150
   67   HG13  VAL   8          3HG1      VAL   8   7.397  -8.086  -9.609
   68   HG21  VAL   8          1HG2      VAL   8   5.353  -5.309  -8.088
   69   HG22  VAL   8          2HG2      VAL   8   5.850  -5.074  -9.764
   70   HG23  VAL   8          3HG2      VAL   8   4.173  -5.473  -9.389
   71    H    LYS   9           H        LYS   9   5.123  -9.474  -7.982
   72    HA   LYS   9           HA       LYS   9   6.347 -11.491  -9.466
   73    HB2  LYS   9          2HB       LYS   9   5.173 -11.393  -6.705
   74    HB3  LYS   9          3HB       LYS   9   5.807 -12.902  -7.348
   75    HG2  LYS   9          2HG       LYS   9   7.878 -12.296  -6.861
   76    HG3  LYS   9          3HG       LYS   9   7.702 -10.799  -7.780
   77    HD2  LYS   9          2HD       LYS   9   6.975  -9.599  -5.914
   78    HD3  LYS   9          3HD       LYS   9   6.556 -11.063  -5.021
   79    HE2  LYS   9          2HE       LYS   9   8.671 -11.382  -4.296
   80    HE3  LYS   9          3HE       LYS   9   9.386 -10.804  -5.801
   81    HZ1  LYS   9          1HZ       LYS   9   8.182  -8.614  -4.616
   82    HZ2  LYS   9          2HZ       LYS   9   9.839  -8.921  -4.756
   83    HZ3  LYS   9          3HZ       LYS   9   9.002  -9.413  -3.370
  Start of MODEL   17
    1    H1   THR   1           H        THR   1   0.839   0.094   0.659
    2    HA   THR   1           HA       THR   1   1.828   0.780  -1.953
    3    HB   THR   1           HB       THR   1   2.603   1.682   0.381
    4    HG1  THR   1           HG1      THR   1   4.839   1.811  -0.672
    5   HG21  THR   1          1HG2      THR   1   3.218  -0.682   1.116
    6   HG22  THR   1          2HG2      THR   1   4.424   0.575   1.394
    7   HG23  THR   1          3HG2      THR   1   4.606  -0.538   0.038
    8    H    VAL   2           H        VAL   2   1.792  -2.043   0.077
    9    HA   VAL   2           HA       VAL   2   3.836  -3.428  -1.423
   10    HB   VAL   2           HB       VAL   2   1.911  -4.683   0.525
   11   HG11  VAL   2          1HG1      VAL   2   3.627  -6.319   0.835
   12   HG12  VAL   2          2HG1      VAL   2   3.367  -6.131  -0.901
   13   HG13  VAL   2          3HG1      VAL   2   4.768  -5.383  -0.131
   14   HG21  VAL   2          1HG2      VAL   2   4.500  -3.264   1.147
   15   HG22  VAL   2          2HG2      VAL   2   2.883  -2.729   1.606
   16   HG23  VAL   2          3HG2      VAL   2   3.548  -4.212   2.290
   17    H    TYR   3           H        TYR   3   0.417  -3.026  -1.563
   18    HA   TYR   3           HA       TYR   3  -0.542  -5.313  -2.697
   19    HB2  TYR   3          2HB       TYR   3  -2.259  -3.996  -3.725
   20    HB3  TYR   3          3HB       TYR   3  -1.844  -3.220  -2.200
   21    HD1  TYR   3           HD1      TYR   3  -2.490  -2.650  -5.581
   22    HD2  TYR   3           HD2      TYR   3   0.070  -1.371  -2.433
   23    HE1  TYR   3           HE1      TYR   3  -2.087  -0.537  -6.775
   24    HE2  TYR   3           HE2      TYR   3   0.479   0.745  -3.617
   25    HH   TYR   3           HH       TYR   3   0.057   1.261  -6.659
   26    H    VAL   4           H        VAL   4   1.359  -2.793  -4.268
   27    HA   VAL   4           HA       VAL   4   1.155  -3.936  -6.886
   28    HB   VAL   4           HB       VAL   4   3.177  -2.375  -7.310
   29   HG11  VAL   4          1HG1      VAL   4   1.276  -0.426  -6.679
   30   HG12  VAL   4          2HG1      VAL   4   1.487  -1.256  -8.222
   31   HG13  VAL   4          3HG1      VAL   4   0.355  -1.888  -7.027
   32   HG21  VAL   4          1HG2      VAL   4   3.196  -2.240  -4.570
   33   HG22  VAL   4          2HG2      VAL   4   3.988  -1.100  -5.658
   34   HG23  VAL   4          3HG2      VAL   4   2.381  -0.744  -5.025
   35    H    TYR   5           H        TYR   5   3.532  -4.033  -4.277
   36    HA   TYR   5           HA       TYR   5   5.600  -5.321  -5.652
   37    HB2  TYR   5          2HB       TYR   5   4.821  -5.232  -2.746
   38    HB3  TYR   5          3HB       TYR   5   6.208  -6.167  -3.292
   39    HD1  TYR   5           HD1      TYR   5   4.779  -2.725  -3.460
   40    HD2  TYR   5           HD2      TYR   5   8.284  -5.138  -3.456
   41    HE1  TYR   5           HE1      TYR   5   6.168  -0.697  -3.380
   42    HE2  TYR   5           HE2      TYR   5   9.682  -3.117  -3.374
   43    HH   TYR   5           HH       TYR   5   9.677  -0.863  -3.628
   44    H    SER   6           H        SER   6   2.627  -6.527  -4.323
   45    HA   SER   6           HA       SER   6   3.467  -9.304  -4.583
   46    HB2  SER   6          2HB       SER   6   2.116  -8.707  -2.637
   47    HB3  SER   6          3HB       SER   6   0.836  -8.101  -3.687
   48    HG   SER   6           HG       SER   6   1.072 -10.523  -2.785
   49    H    ARG   7           H        ARG   7   1.613  -6.909  -6.274
   50    HA   ARG   7           HA       ARG   7   0.234  -8.759  -7.981
   51    HB2  ARG   7          2HB       ARG   7  -1.010  -6.889  -8.092
   52    HB3  ARG   7          3HB       ARG   7   0.329  -5.867  -7.588
   53    HG2  ARG   7          2HG       ARG   7  -0.378  -5.185  -9.765
   54    HG3  ARG   7          3HG       ARG   7   1.202  -5.957  -9.908
   55    HD2  ARG   7          2HD       ARG   7  -0.365  -8.095 -10.287
   56    HD3  ARG   7          3HD       ARG   7  -1.445  -6.838 -10.892
   57    HE   ARG   7           HE       ARG   7   1.101  -6.482 -12.022
   58   HH11  ARG   7          1HH1      ARG   7  -1.601  -8.675 -12.134
   59   HH12  ARG   7          2HH1      ARG   7  -1.304  -9.164 -13.769
   60   HH21  ARG   7          1HH2      ARG   7   1.502  -7.118 -14.175
   61   HH22  ARG   7          2HH2      ARG   7   0.462  -8.279 -14.929
   62    H    VAL   8           H        VAL   8   3.073  -6.662  -8.287
   63    HA   VAL   8           HA       VAL   8   3.660  -6.983 -10.960
   64    HB   VAL   8           HB       VAL   8   5.615  -6.842  -8.662
   65   HG11  VAL   8          1HG1      VAL   8   6.975  -7.525 -10.384
   66   HG12  VAL   8          2HG1      VAL   8   5.973  -6.763 -11.621
   67   HG13  VAL   8          3HG1      VAL   8   7.019  -5.775 -10.600
   68   HG21  VAL   8          1HG2      VAL   8   5.167  -4.495 -10.361
   69   HG22  VAL   8          2HG2      VAL   8   3.774  -4.976  -9.392
   70   HG23  VAL   8          3HG2      VAL   8   5.312  -4.616  -8.607
   71    H    LYS   9           H        LYS   9   5.204  -8.880  -8.362
   72    HA   LYS   9           HA       LYS   9   6.195 -10.850 -10.150
   73    HB2  LYS   9          2HB       LYS   9   7.000 -11.983  -8.225
   74    HB3  LYS   9          3HB       LYS   9   7.140 -10.264  -7.877
   75    HG2  LYS   9          2HG       LYS   9   4.682 -10.778  -6.877
   76    HG3  LYS   9          3HG       LYS   9   5.486 -12.325  -6.600
   77    HD2  LYS   9          2HD       LYS   9   7.035  -9.914  -5.892
   78    HD3  LYS   9          3HD       LYS   9   5.617 -10.243  -4.894
   79    HE2  LYS   9          2HE       LYS   9   7.211 -12.621  -5.419
   80    HE3  LYS   9          3HE       LYS   9   8.122 -11.359  -4.591
   81    HZ1  LYS   9          1HZ       LYS   9   6.918 -11.595  -2.728
   82    HZ2  LYS   9          2HZ       LYS   9   6.563 -13.128  -3.347
   83    HZ3  LYS   9          3HZ       LYS   9   5.464 -11.859  -3.550
  Start of MODEL   18
    1    H1   THR   1           H        THR   1   1.092   0.129   0.219
    2    HA   THR   1           HA       THR   1   1.928   0.606  -2.512
    3    HB   THR   1           HB       THR   1   3.939  -0.016  -0.414
    4    HG1  THR   1           HG1      THR   1   3.498   1.718   0.780
    5   HG21  THR   1          1HG2      THR   1   4.754   2.260  -1.497
    6   HG22  THR   1          2HG2      THR   1   3.650   1.765  -2.781
    7   HG23  THR   1          3HG2      THR   1   4.988   0.715  -2.314
    8    H    VAL   2           H        VAL   2   1.129  -2.092  -0.757
    9    HA   VAL   2           HA       VAL   2   3.131  -3.835  -1.974
   10    HB   VAL   2           HB       VAL   2   0.850  -4.709  -0.213
   11   HG11  VAL   2          1HG1      VAL   2   2.220  -6.621   0.237
   12   HG12  VAL   2          2HG1      VAL   2   2.136  -6.407  -1.513
   13   HG13  VAL   2          3HG1      VAL   2   3.581  -5.913  -0.631
   14   HG21  VAL   2          1HG2      VAL   2   2.384  -4.529   1.693
   15   HG22  VAL   2          2HG2      VAL   2   3.586  -3.770   0.649
   16   HG23  VAL   2          3HG2      VAL   2   2.055  -2.955   0.969
   17    H    TYR   3           H        TYR   3  -0.122  -2.805  -2.417
   18    HA   TYR   3           HA       TYR   3  -1.409  -4.871  -3.631
   19    HB2  TYR   3          2HB       TYR   3  -2.272  -2.956  -5.248
   20    HB3  TYR   3          3HB       TYR   3  -2.725  -2.990  -3.548
   21    HD1  TYR   3           HD1      TYR   3  -0.104  -1.581  -5.805
   22    HD2  TYR   3           HD2      TYR   3  -2.420  -1.082  -2.271
   23    HE1  TYR   3           HE1      TYR   3   0.830   0.676  -5.518
   24    HE2  TYR   3           HE2      TYR   3  -1.493   1.176  -1.975
   25    HH   TYR   3           HH       TYR   3   0.458   2.698  -4.424
   26    H    VAL   4           H        VAL   4   1.215  -2.955  -4.943
   27    HA   VAL   4           HA       VAL   4   1.023  -4.260  -7.539
   28    HB   VAL   4           HB       VAL   4   3.148  -2.852  -7.966
   29   HG11  VAL   4          1HG1      VAL   4   0.547  -2.418  -8.457
   30   HG12  VAL   4          2HG1      VAL   4   0.893  -1.017  -7.442
   31   HG13  VAL   4          3HG1      VAL   4   1.820  -1.288  -8.918
   32   HG21  VAL   4          1HG2      VAL   4   3.010  -2.412  -5.279
   33   HG22  VAL   4          2HG2      VAL   4   3.885  -1.396  -6.425
   34   HG23  VAL   4          3HG2      VAL   4   2.253  -0.955  -5.922
   35    H    TYR   5           H        TYR   5   3.078  -4.226  -4.687
   36    HA   TYR   5           HA       TYR   5   5.250  -5.675  -5.673
   37    HB2  TYR   5          2HB       TYR   5   4.075  -5.304  -2.940
   38    HB3  TYR   5          3HB       TYR   5   5.396  -6.442  -3.176
   39    HD1  TYR   5           HD1      TYR   5   4.582  -2.956  -4.278
   40    HD2  TYR   5           HD2      TYR   5   7.474  -5.617  -2.645
   41    HE1  TYR   5           HE1      TYR   5   6.194  -1.105  -4.132
   42    HE2  TYR   5           HE2      TYR   5   9.094  -3.772  -2.494
   43    HH   TYR   5           HH       TYR   5   8.405  -0.606  -3.846
   44    H    SER   6           H        SER   6   2.047  -6.675  -4.941
   45    HA   SER   6           HA       SER   6   2.720  -9.480  -4.675
   46    HB2  SER   6          2HB       SER   6   0.871  -8.790  -3.350
   47    HB3  SER   6          3HB       SER   6   0.108  -7.967  -4.710
   48    HG   SER   6           HG       SER   6   0.543 -10.768  -4.574
   49    H    ARG   7           H        ARG   7   1.764  -7.269  -7.156
   50    HA   ARG   7           HA       ARG   7   0.811  -9.234  -9.005
   51    HB2  ARG   7          2HB       ARG   7   1.859  -6.546  -9.827
   52    HB3  ARG   7          3HB       ARG   7   0.539  -7.478 -10.521
   53    HG2  ARG   7          2HG       ARG   7  -0.854  -7.002  -8.606
   54    HG3  ARG   7          3HG       ARG   7   0.479  -6.156  -7.817
   55    HD2  ARG   7          2HD       ARG   7  -0.635  -4.375  -8.713
   56    HD3  ARG   7          3HD       ARG   7   0.453  -4.752 -10.048
   57    HE   ARG   7           HE       ARG   7  -1.360  -5.355 -11.307
   58   HH11  ARG   7          1HH1      ARG   7  -2.296  -5.214  -7.957
   59   HH12  ARG   7          2HH1      ARG   7  -3.984  -5.428  -8.285
   60   HH21  ARG   7          1HH2      ARG   7  -3.579  -5.637 -11.751
   61   HH22  ARG   7          2HH2      ARG   7  -4.713  -5.670 -10.443
   62    H    VAL   8           H        VAL   8   3.798  -7.296  -8.825
   63    HA   VAL   8           HA       VAL   8   5.162  -8.253 -10.989
   64    HB   VAL   8           HB       VAL   8   6.425  -7.782  -8.287
   65   HG11  VAL   8          1HG1      VAL   8   7.454  -8.062 -11.058
   66   HG12  VAL   8          2HG1      VAL   8   8.237  -6.888  -9.999
   67   HG13  VAL   8          3HG1      VAL   8   8.160  -8.587  -9.530
   68   HG21  VAL   8          1HG2      VAL   8   5.212  -5.939 -10.241
   69   HG22  VAL   8          2HG2      VAL   8   5.457  -5.753  -8.505
   70   HG23  VAL   8          3HG2      VAL   8   6.794  -5.469  -9.619
   71    H    LYS   9           H        LYS   9   5.607  -9.581  -7.706
   72    HA   LYS   9           HA       LYS   9   6.974 -11.888  -8.571
   73    HB2  LYS   9          2HB       LYS   9   5.418 -11.474  -6.011
   74    HB3  LYS   9          3HB       LYS   9   6.620 -12.725  -6.296
   75    HG2  LYS   9          2HG       LYS   9   7.355  -9.844  -6.591
   76    HG3  LYS   9          3HG       LYS   9   7.278 -10.590  -4.993
   77    HD2  LYS   9          2HD       LYS   9   8.700 -12.371  -6.651
   78    HD3  LYS   9          3HD       LYS   9   9.344 -10.758  -6.969
   79    HE2  LYS   9          2HE       LYS   9  10.641 -11.333  -5.185
   80    HE3  LYS   9          3HE       LYS   9   9.280 -10.610  -4.329
   81    HZ1  LYS   9          1HZ       LYS   9   8.735 -13.328  -4.786
   82    HZ2  LYS   9          2HZ       LYS   9   8.929 -12.527  -3.310
   83    HZ3  LYS   9          3HZ       LYS   9  10.271 -13.202  -4.088
  Start of MODEL   19
    1    H1   THR   1           H        THR   1   1.262   0.334   0.168
    2    HA   THR   1           HA       THR   1   2.041   0.478  -2.548
    3    HB   THR   1           HB       THR   1   4.262  -0.123  -0.785
    4    HG1  THR   1           HG1      THR   1   3.891   1.820   0.521
    5   HG21  THR   1          1HG2      THR   1   4.837   1.130  -2.627
    6   HG22  THR   1          2HG2      THR   1   4.656   2.403  -1.419
    7   HG23  THR   1          3HG2      THR   1   3.358   2.089  -2.570
    8    H    VAL   2           H        VAL   2   1.274  -2.170  -0.706
    9    HA   VAL   2           HA       VAL   2   3.220  -3.961  -1.945
   10    HB   VAL   2           HB       VAL   2   0.988  -4.772  -0.093
   11   HG11  VAL   2          1HG1      VAL   2   2.217  -6.511  -1.393
   12   HG12  VAL   2          2HG1      VAL   2   3.694  -6.012  -0.567
   13   HG13  VAL   2          3HG1      VAL   2   2.351  -6.687   0.356
   14   HG21  VAL   2          1HG2      VAL   2   2.583  -4.563   1.759
   15   HG22  VAL   2          2HG2      VAL   2   3.758  -3.840   0.661
   16   HG23  VAL   2          3HG2      VAL   2   2.246  -3.003   1.009
   17    H    TYR   3           H        TYR   3  -0.036  -2.910  -2.309
   18    HA   TYR   3           HA       TYR   3  -1.380  -4.989  -3.434
   19    HB2  TYR   3          2HB       TYR   3  -2.276  -3.104  -5.067
   20    HB3  TYR   3          3HB       TYR   3  -2.675  -3.095  -3.353
   21    HD1  TYR   3           HD1      TYR   3  -0.114  -1.763  -5.723
   22    HD2  TYR   3           HD2      TYR   3  -2.313  -1.161  -2.131
   23    HE1  TYR   3           HE1      TYR   3   0.850   0.490  -5.518
   24    HE2  TYR   3           HE2      TYR   3  -1.356   1.095  -1.916
   25    HH   TYR   3           HH       TYR   3  -0.346   2.808  -3.329
   26    H    VAL   4           H        VAL   4   1.219  -3.130  -4.872
   27    HA   VAL   4           HA       VAL   4   0.933  -4.493  -7.430
   28    HB   VAL   4           HB       VAL   4   3.056  -3.116  -7.956
   29   HG11  VAL   4          1HG1      VAL   4   0.445  -2.667  -8.374
   30   HG12  VAL   4          2HG1      VAL   4   0.837  -1.247  -7.403
   31   HG13  VAL   4          3HG1      VAL   4   1.712  -1.561  -8.902
   32   HG21  VAL   4          1HG2      VAL   4   2.243  -1.164  -5.930
   33   HG22  VAL   4          2HG2      VAL   4   3.008  -2.613  -5.275
   34   HG23  VAL   4          3HG2      VAL   4   3.855  -1.634  -6.472
   35    H    TYR   5           H        TYR   5   3.077  -4.414  -4.645
   36    HA   TYR   5           HA       TYR   5   5.204  -5.906  -5.665
   37    HB2  TYR   5          2HB       TYR   5   4.119  -5.461  -2.906
   38    HB3  TYR   5          3HB       TYR   5   5.422  -6.618  -3.157
   39    HD1  TYR   5           HD1      TYR   5   7.522  -5.800  -2.708
   40    HD2  TYR   5           HD2      TYR   5   4.606  -3.150  -4.312
   41    HE1  TYR   5           HE1      TYR   5   9.163  -3.969  -2.651
   42    HE2  TYR   5           HE2      TYR   5   6.239  -1.312  -4.261
   43    HH   TYR   5           HH       TYR   5   9.433  -1.731  -2.825
   44    H    SER   6           H        SER   6   2.016  -6.858  -4.809
   45    HA   SER   6           HA       SER   6   2.672  -9.662  -4.500
   46    HB2  SER   6          2HB       SER   6   0.618  -8.105  -3.559
   47    HB3  SER   6          3HB       SER   6  -0.156  -8.962  -4.891
   48    HG   SER   6           HG       SER   6  -0.213 -10.059  -2.816
   49    H    ARG   7           H        ARG   7   1.658  -7.499  -7.001
   50    HA   ARG   7           HA       ARG   7   0.629  -9.497  -8.772
   51    HB2  ARG   7          2HB       ARG   7   1.675  -6.838  -9.689
   52    HB3  ARG   7          3HB       ARG   7   0.325  -7.773 -10.319
   53    HG2  ARG   7          2HG       ARG   7  -1.002  -7.239  -8.373
   54    HG3  ARG   7          3HG       ARG   7   0.363  -6.389  -7.646
   55    HD2  ARG   7          2HD       ARG   7  -0.766  -4.619  -8.548
   56    HD3  ARG   7          3HD       ARG   7   0.280  -5.034  -9.905
   57    HE   ARG   7           HE       ARG   7  -2.207  -6.416 -10.028
   58   HH11  ARG   7          1HH1      ARG   7  -0.686  -3.344 -10.635
   59   HH12  ARG   7          2HH1      ARG   7  -1.823  -2.874 -11.854
   60   HH21  ARG   7          1HH2      ARG   7  -3.711  -5.809 -11.632
   61   HH22  ARG   7          2HH2      ARG   7  -3.544  -4.276 -12.420
   62    H    VAL   8           H        VAL   8   3.638  -7.584  -8.731
   63    HA   VAL   8           HA       VAL   8   4.923  -8.604 -10.915
   64    HB   VAL   8           HB       VAL   8   6.276  -8.084  -8.265
   65   HG11  VAL   8          1HG1      VAL   8   8.059  -7.260 -10.014
   66   HG12  VAL   8          2HG1      VAL   8   7.942  -8.964  -9.572
   67   HG13  VAL   8          3HG1      VAL   8   7.217  -8.390 -11.074
   68   HG21  VAL   8          1HG2      VAL   8   4.937  -6.288 -10.141
   69   HG22  VAL   8          2HG2      VAL   8   5.426  -6.021  -8.468
   70   HG23  VAL   8          3HG2      VAL   8   6.597  -5.822  -9.771
   71    H    LYS   9           H        LYS   9   5.461  -9.861  -7.617
   72    HA   LYS   9           HA       LYS   9   6.790 -12.193  -8.456
   73    HB2  LYS   9          2HB       LYS   9   5.486 -11.320  -5.907
   74    HB3  LYS   9          3HB       LYS   9   6.009 -12.990  -6.078
   75    HG2  LYS   9          2HG       LYS   9   8.032 -12.358  -5.447
   76    HG3  LYS   9          3HG       LYS   9   8.166 -11.434  -6.945
   77    HD2  LYS   9          2HD       LYS   9   7.575  -9.445  -5.923
   78    HD3  LYS   9          3HD       LYS   9   6.738 -10.256  -4.597
   79    HE2  LYS   9          2HE       LYS   9   8.783  -9.290  -3.770
   80    HE3  LYS   9          3HE       LYS   9   8.927 -11.047  -3.757
   81    HZ1  LYS   9          1HZ       LYS   9  10.869  -9.671  -4.659
   82    HZ2  LYS   9          2HZ       LYS   9   9.919  -9.468  -6.043
   83    HZ3  LYS   9          3HZ       LYS   9  10.373 -11.021  -5.550
  Start of MODEL   20
    1    H1   THR   1           H        THR   1   1.921  -0.402   0.844
    2    HA   THR   1           HA       THR   1   1.547   0.378  -1.963
    3    HB   THR   1           HB       THR   1   4.292   0.014  -0.919
    4    HG1  THR   1           HG1      THR   1   4.199   1.585   0.525
    5   HG21  THR   1          1HG2      THR   1   2.831   1.934  -2.702
    6   HG22  THR   1          2HG2      THR   1   4.189   0.876  -3.085
    7   HG23  THR   1          3HG2      THR   1   4.441   2.311  -2.092
    8    H    VAL   2           H        VAL   2   1.528  -2.359  -0.247
    9    HA   VAL   2           HA       VAL   2   3.358  -3.984  -1.746
   10    HB   VAL   2           HB       VAL   2   1.036  -5.019  -0.135
   11   HG11  VAL   2          1HG1      VAL   2   3.794  -6.164  -0.519
   12   HG12  VAL   2          2HG1      VAL   2   2.374  -6.962   0.160
   13   HG13  VAL   2          3HG1      VAL   2   2.424  -6.558  -1.556
   14   HG21  VAL   2          1HG2      VAL   2   2.125  -3.407   1.280
   15   HG22  VAL   2          2HG2      VAL   2   2.573  -5.026   1.816
   16   HG23  VAL   2          3HG2      VAL   2   3.711  -4.062   0.875
   17    H    TYR   3           H        TYR   3   0.118  -2.900  -2.159
   18    HA   TYR   3           HA       TYR   3  -1.153  -4.834  -3.584
   19    HB2  TYR   3          2HB       TYR   3  -2.412  -3.110  -4.677
   20    HB3  TYR   3          3HB       TYR   3  -2.037  -2.544  -3.053
   21    HD1  TYR   3           HD1      TYR   3  -2.151  -1.606  -6.402
   22    HD2  TYR   3           HD2      TYR   3   0.268  -1.174  -2.928
   23    HE1  TYR   3           HE1      TYR   3  -1.166   0.439  -7.350
   24    HE2  TYR   3           HE2      TYR   3   1.258   0.873  -3.866
   25    HH   TYR   3           HH       TYR   3   0.390   2.681  -5.666
   26    H    VAL   4           H        VAL   4   1.428  -2.726  -4.726
   27    HA   VAL   4           HA       VAL   4   1.298  -3.739  -7.426
   28    HB   VAL   4           HB       VAL   4   3.535  -2.452  -7.602
   29   HG11  VAL   4          1HG1      VAL   4   1.915  -0.255  -7.159
   30   HG12  VAL   4          2HG1      VAL   4   2.053  -1.167  -8.663
   31   HG13  VAL   4          3HG1      VAL   4   0.777  -1.555  -7.509
   32   HG21  VAL   4          1HG2      VAL   4   3.781  -2.405  -5.077
   33   HG22  VAL   4          2HG2      VAL   4   4.052  -0.879  -5.920
   34   HG23  VAL   4          3HG2      VAL   4   2.529  -1.163  -5.078
   35    H    TYR   5           H        TYR   5   3.316  -4.207  -4.574
   36    HA   TYR   5           HA       TYR   5   5.399  -5.665  -5.679
   37    HB2  TYR   5          2HB       TYR   5   4.122  -5.610  -2.973
   38    HB3  TYR   5          3HB       TYR   5   5.336  -6.836  -3.324
   39    HD1  TYR   5           HD1      TYR   5   4.806  -3.146  -3.517
   40    HD2  TYR   5           HD2      TYR   5   7.577  -6.333  -2.998
   41    HE1  TYR   5           HE1      TYR   5   6.582  -1.515  -3.029
   42    HE2  TYR   5           HE2      TYR   5   9.360  -4.711  -2.508
   43    HH   TYR   5           HH       TYR   5   8.742  -1.440  -1.858
   44    H    SER   6           H        SER   6   2.116  -6.601  -5.049
   45    HA   SER   6           HA       SER   6   2.593  -9.429  -5.257
   46    HB2  SER   6          2HB       SER   6   0.539  -7.907  -4.248
   47    HB3  SER   6          3HB       SER   6  -0.149  -8.503  -5.758
   48    HG   SER   6           HG       SER   6   0.471  -9.855  -3.447
   49    H    ARG   7           H        ARG   7   1.829  -6.824  -7.426
   50    HA   ARG   7           HA       ARG   7   1.028  -8.553  -9.594
   51    HB2  ARG   7          2HB       ARG   7   1.824  -5.728 -10.084
   52    HB3  ARG   7          3HB       ARG   7   0.474  -6.644 -10.739
   53    HG2  ARG   7          2HG       ARG   7   0.681  -5.450  -7.984
   54    HG3  ARG   7          3HG       ARG   7  -0.360  -4.912  -9.304
   55    HD2  ARG   7          2HD       ARG   7  -0.532  -7.697  -8.199
   56    HD3  ARG   7          3HD       ARG   7  -1.398  -6.355  -7.452
   57    HE   ARG   7           HE       ARG   7  -1.971  -6.352 -10.187
   58   HH11  ARG   7          1HH1      ARG   7  -2.532  -8.315  -7.368
   59   HH12  ARG   7          2HH1      ARG   7  -4.029  -8.962  -7.955
   60   HH21  ARG   7          1HH2      ARG   7  -3.939  -7.196 -10.972
   61   HH22  ARG   7          2HH2      ARG   7  -4.828  -8.325 -10.006
   62    H    VAL   8           H        VAL   8   3.928  -6.903  -8.533
   63    HA   VAL   8           HA       VAL   8   5.470  -7.001 -10.837
   64    HB   VAL   8           HB       VAL   8   6.484  -7.465  -8.030
   65   HG11  VAL   8          1HG1      VAL   8   7.760  -6.901 -10.639
   66   HG12  VAL   8          2HG1      VAL   8   8.408  -6.053  -9.233
   67   HG13  VAL   8          3HG1      VAL   8   8.359  -7.817  -9.256
   68   HG21  VAL   8          1HG2      VAL   8   5.513  -5.463  -7.656
   69   HG22  VAL   8          2HG2      VAL   8   6.937  -4.849  -8.496
   70   HG23  VAL   8          3HG2      VAL   8   5.423  -5.065  -9.372
   71    H    LYS   9           H        LYS   9   5.689  -9.344  -8.153
   72    HA   LYS   9           HA       LYS   9   7.059 -11.262  -9.764
   73    HB2  LYS   9          2HB       LYS   9   5.816 -11.401  -7.019
   74    HB3  LYS   9          3HB       LYS   9   6.627 -12.772  -7.764
   75    HG2  LYS   9          2HG       LYS   9   8.547 -12.023  -6.968
   76    HG3  LYS   9          3HG       LYS   9   8.387 -10.592  -7.990
   77    HD2  LYS   9          2HD       LYS   9   8.577  -9.626  -5.911
   78    HD3  LYS   9          3HD       LYS   9   6.823  -9.764  -6.055
   79    HE2  LYS   9          2HE       LYS   9   7.356 -12.146  -4.958
   80    HE3  LYS   9          3HE       LYS   9   8.716 -11.229  -4.311
   81    HZ1  LYS   9          1HZ       LYS   9   6.763 -11.199  -2.849
   82    HZ2  LYS   9          2HZ       LYS   9   5.866 -10.431  -4.060
   83    HZ3  LYS   9          3HZ       LYS   9   7.194  -9.646  -3.365