*HEADER    DE NOVO PROTEIN                         05-SEP-17   6AWK              
*TITLE     PAWL-DERIVED PEPTIDE PLP-12                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLP-12;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SENECIO VULGARIS;                               
*SOURCE   4 ORGANISM_TAXID: 76276                                                
*KEYWDS    ORBITIDE, CYCLIC PEPTIDE, PLANT PEPTIDE, BURIED PEPTIDE, DE NOVO      
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.FISHER,J.S.MYLNE,M.J.HOWARD                                         
*REVDAT   1   07-MAR-18 6AWK    0                                                
# Restraints file 1: FVGGTSFD9.tbl
ASSI	((	resid	7	and	name	HN	))	(	resid	7	and	name	HD#	)									
ASSI	((	resid	4	and	name	HN	))	((	resid	5	and	name	HN	))									
ASSI	((	resid	5	and	name	HN	))	((	resid	6	and	name	HN	))									
ASSI	((	resid	7	and	name	HN	))	((	resid	6	and	name	HB2	))									
ASSI	((	resid	2	and	name	HN	))	(	resid	2	and	name	HG1#)	6									
ASSI	((	resid	7	and	name	HN	))	((	resid	6	and	name	HN	))									
ASSI	((	resid	1	and	name	HN	))	(	resid	1	and	name	HD#	)									
ASSI	((	resid	2	and	name	HN	))	(	resid	1	and	name	HD#	)									
ASSI	((	resid	2	and	name	HN	))	((	resid	3	and	name	HN	))									
ASSI	((	resid	2	and	name	HN	))	((	resid	1	and	name	HN	))									
ASSI	((	resid	1	and	name	HN	))	((	resid	8	and	name	HA	))									
ASSI	((	resid	6	and	name	HN	))	((	resid	5	and	name	HA	))									
ASSI	((	resid	1	and	name	HN	))	((	resid	1	and	name	HA	))									
ASSI	((	resid	6	and	name	HN	))	((	resid	5	and	name	HB	))									
ASSI	((	resid	6	and	name	HN	))	((	resid	6	and	name	HA	))									
ASSI	((	resid	6	and	name	HN	))	((	resid	6	and	name	HB2	))									
ASSI	((	resid	1	and	name	HN	))	((	resid	1	and	name	HB2	))									
ASSI	((	resid	1	and	name	HN	))	((	resid	1	and	name	HB1	))									
ASSI	((	resid	2	and	name	HN	))	((	resid	1	and	name	HB1	))									
ASSI	((	resid	7	and	name	HN	))	((	resid	7	and	name	HB2	))									
ASSI	((	resid	7	and	name	HN	))	((	resid	7	and	name	HB1	))									
ASSI	((	resid	2	and	name	HN	))	((	resid	2	and	name	HB	))									
ASSI	((	resid	3	and	name	HN	))	((	resid	2	and	name	HB	))									
ASSI	((	resid	5	and	name	HN	))	((	resid	5	and	name	HG1	))									
ASSI	((	resid	2	and	name	HN	))	(	resid	2	and	name	HG2#)	6									
ASSI	(	resid	2	and	name	HG2#)	(		resid	1	and	name	HD#	)									
ASSI	(	resid	7	and	name	HD#	)	((	resid	7	and	name	HB2	))									
ASSI	((	resid	7	and	name	HB1	))	((	resid	7	and	name	HZ	))									
ASSI	(	resid	1	and	name	HD#	)	((	resid	1	and	name	HB2	))									
ASSI	(	resid	1	and	name	HD#	)	((	resid	1	and	name	HB1	))									
ASSI	(	resid	7	and	name	HD#	)	((	resid	6	and	name	HB2	))									
ASSI	((	resid	3	and	name	HN	))	((	resid	2	and	name	HA	))									
ASSI	((	resid	3	and	name	HN	))	((	resid	3	and	name	HA2	))									
ASSI	((	resid	4	and	name	HN	))	((	resid	3	and	name	HA2	))									
ASSI	((	resid	4	and	name	HN	))	((	resid	4	and	name	HA2	))									
ASSI	((	resid	4	and	name	HN	))	((	resid	4	and	name	HA1	))									
ASSI	((	resid	4	and	name	HN	))	((	resid	3	and	name	HA1	))									
ASSI	((	resid	7	and	name	HN	))	((	resid	6	and	name	HA	))									
ASSI	((	resid	3	and	name	HN	))	((	resid	3	and	name	HA1	))									
ASSI	((	resid	5	and	name	HN	))	((	resid	5	and	name	HB	))									
ASSI	((	resid	7	and	name	HN	))	((	resid	7	and	name	HA	))									
ASSI	((	resid	5	and	name	HN	))	((	resid	5	and	name	HA	))									
ASSI	((	resid	7	and	name	HA	))	((	resid	8	and	name	HN	))									
ASSI	(	resid	7	and	name	HD#	)	((	resid	7	and	name	HA	))									
ASSI	(	resid	1	and	name	HD#	)	((	resid	1	and	name	HA	))									
ASSI	(	resid	2	and	name	HG1#)	((		resid	3	and	name	HN	))									
ASSI	((	resid	2	and	name	HN	))	((	resid	1	and	name	HB2	))									
ASSI	(	resid	7	and	name	HD#	)	((	resid	5	and	name	HB	))									
ASSI	((	resid	2	and	name	HN	))	((	resid	2	and	name	HA	))									
ASSI	((	resid	2	and	name	HN	))	((	resid	1	and	name	HA	))									
ASSI	((	resid	7	and	name	HN	))	((	resid	5	and	name	HB	))									
ASSI	(	resid	2	and	name	HG2#)	((		resid	2	and	name	HA	))									
ASSI	(	resid	2	and	name	HG1#)	((		resid	2	and	name	HA	))									
ASSI	((	resid	2	and	name	HB	))	((	resid	2	and	name	HA	))									
ASSI	((	resid	6	and	name	HB2	))	((	resid	6	and	name	HA	))									
ASSI	(	resid	2	and	name	HG1#)	((		resid	3	and	name	HA2	))									
ASSI	(	resid	2	and	name	HG1#)	((		resid	2	and	name	HB	))									
ASSI	(	resid	2	and	name	HG2#)	((		resid	2	and	name	HB	))									
ASSI	((	resid	5	and	name	HB	))	((	resid	5	and	name	HG1	))									
ASSI	(	resid	2	and	name	HG1#)	(		resid	1	and	name	HD#	)									
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           H        PHE   1   6.281  -7.503  -4.957
    2    HA   PHE   1           HA       PHE   1   4.657  -8.096  -2.545
    3    HB2  PHE   1          1HB       PHE   1   6.143  -5.991  -2.218
    4    HB3  PHE   1          2HB       PHE   1   5.197  -5.290  -3.560
    5    HD1  PHE   1           HD1      PHE   1   3.024  -4.297  -3.201
    6    HD2  PHE   1           HD2      PHE   1   4.874  -6.661  -0.099
    7    HE1  PHE   1           HE1      PHE   1   1.230  -3.635  -1.657
    8    HE2  PHE   1           HE2      PHE   1   3.223  -5.852   1.488
    9    HZ   PHE   1           HZ       PHE   1   1.326  -4.384   0.747
   10    H    VAL   2           H        VAL   2   2.328  -7.817  -3.051
   11    HA   VAL   2           HA       VAL   2   1.833  -8.038  -5.932
   12    HB   VAL   2           HB       VAL   2  -0.118  -8.065  -3.566
   13   HG11  VAL   2          1HG1      VAL   2  -0.514  -8.918  -6.495
   14   HG12  VAL   2          2HG1      VAL   2  -1.299  -7.523  -5.633
   15   HG13  VAL   2          3HG1      VAL   2  -1.664  -9.177  -5.159
   16   HG21  VAL   2          1HG2      VAL   2   1.664  -9.870  -3.615
   17   HG22  VAL   2          2HG2      VAL   2   0.941 -10.443  -5.155
   18   HG23  VAL   2          3HG2      VAL   2   0.007 -10.423  -3.625
   19    H    GLY   3           H        GLY   3   1.265  -6.388  -7.255
   20    HA2  GLY   3          1HA       GLY   3  -0.401  -4.453  -7.437
   21    HA3  GLY   3          2HA       GLY   3   0.342  -3.883  -5.926
   22    H    GLY   4           H        GLY   4   2.350  -5.323  -8.626
   23    HA2  GLY   4          1HA       GLY   4   2.897  -2.765  -9.770
   24    HA3  GLY   4          2HA       GLY   4   4.092  -3.211  -8.529
   25    H    THR   5           H        THR   5   5.178  -2.810 -10.874
   26    HA   THR   5           HA       THR   5   4.971  -5.084 -12.679
   27    HB   THR   5           HB       THR   5   7.019  -2.800 -12.602
   28    HG1  THR   5           HG1      THR   5   5.306  -1.645 -13.232
   29   HG21  THR   5          1HG2      THR   5   6.078  -4.543 -14.924
   30   HG22  THR   5          2HG2      THR   5   7.639  -4.743 -14.062
   31   HG23  THR   5          3HG2      THR   5   7.279  -3.236 -14.990
   32    H    SER   6           H        SER   6   5.742  -6.986 -12.092
   33    HA   SER   6           HA       SER   6   7.119  -8.580 -11.212
   34    HB2  SER   6          1HB       SER   6   9.509  -8.417 -11.961
   35    HB3  SER   6          2HB       SER   6   8.317  -8.135 -13.258
   36    HG   SER   6           HG       SER   6   9.653  -6.106 -11.837
   37    H    PHE   7           H        PHE   7   6.517  -6.842  -9.040
   38    HA   PHE   7           HA       PHE   7   9.151  -6.693  -7.586
   39    HB2  PHE   7          1HB       PHE   7   6.487  -5.591  -6.678
   40    HB3  PHE   7          2HB       PHE   7   8.051  -5.418  -5.852
   41    HD1  PHE   7           HD1      PHE   7   9.910  -4.721  -8.046
   42    HD2  PHE   7           HD2      PHE   7   5.800  -3.490  -7.328
   43    HE1  PHE   7           HE1      PHE   7  10.282  -2.610  -9.327
   44    HE2  PHE   7           HE2      PHE   7   6.151  -1.407  -8.695
   45    HZ   PHE   7           HZ       PHE   7   8.436  -0.951  -9.665
   46    H    ASP   8           H        ASP   8   9.010  -7.369  -5.233
   47    HA   ASP   8           HA       ASP   8   7.831 -10.043  -5.065
   48    HB2  ASP   8          1HB       ASP   8   9.765  -8.499  -3.280
   49    HB3  ASP   8          2HB       ASP   8   9.195 -10.093  -2.881
  Start of MODEL    2
    1    H1   PHE   1           H        PHE   1   6.279  -7.440  -4.773
    2    HA   PHE   1           HA       PHE   1   4.430  -8.735  -2.884
    3    HB2  PHE   1          1HB       PHE   1   5.707  -7.004  -1.662
    4    HB3  PHE   1          2HB       PHE   1   5.113  -5.780  -2.802
    5    HD1  PHE   1           HD1      PHE   1   3.608  -8.599  -0.777
    6    HD2  PHE   1           HD2      PHE   1   3.274  -4.460  -2.034
    7    HE1  PHE   1           HE1      PHE   1   1.490  -8.343   0.494
    8    HE2  PHE   1           HE2      PHE   1   1.239  -4.206  -0.726
    9    HZ   PHE   1           HZ       PHE   1   0.282  -6.137   0.546
   10    H    VAL   2           H        VAL   2   2.166  -7.900  -3.201
   11    HA   VAL   2           HA       VAL   2   1.569  -7.650  -6.037
   12    HB   VAL   2           HB       VAL   2  -0.241  -7.703  -3.558
   13   HG11  VAL   2          1HG1      VAL   2  -2.070  -8.229  -5.200
   14   HG12  VAL   2          2HG1      VAL   2  -0.931  -7.841  -6.515
   15   HG13  VAL   2          3HG1      VAL   2  -1.402  -6.595  -5.319
   16   HG21  VAL   2          1HG2      VAL   2   0.748  -9.871  -5.435
   17   HG22  VAL   2          2HG2      VAL   2  -0.778 -10.071  -4.538
   18   HG23  VAL   2          3HG2      VAL   2   0.738  -9.831  -3.661
   19    H    GLY   3           H        GLY   3   1.075  -5.911  -7.129
   20    HA2  GLY   3          1HA       GLY   3  -0.291  -3.706  -6.877
   21    HA3  GLY   3          2HA       GLY   3   0.852  -3.331  -5.575
   22    H    GLY   4           H        GLY   4   1.994  -4.958  -8.507
   23    HA2  GLY   4          1HA       GLY   4   2.615  -2.726 -10.063
   24    HA3  GLY   4          2HA       GLY   4   4.009  -3.089  -9.030
   25    H    THR   5           H        THR   5   4.923  -3.528 -11.217
   26    HA   THR   5           HA       THR   5   4.457  -6.358 -11.954
   27    HB   THR   5           HB       THR   5   5.662  -5.672 -14.182
   28    HG1  THR   5           HG1      THR   5   5.561  -3.544 -14.682
   29   HG21  THR   5          1HG2      THR   5   3.282  -6.321 -13.933
   30   HG22  THR   5          2HG2      THR   5   3.628  -5.211 -15.252
   31   HG23  THR   5          3HG2      THR   5   2.897  -4.592 -13.743
   32    H    SER   6           H        SER   6   6.239  -7.625 -11.983
   33    HA   SER   6           HA       SER   6   8.289  -8.365 -11.308
   34    HB2  SER   6          1HB       SER   6   9.376  -5.682 -12.255
   35    HB3  SER   6          2HB       SER   6  10.212  -7.266 -12.180
   36    HG   SER   6           HG       SER   6   9.483  -6.917 -14.261
   37    H    PHE   7           H        PHE   7   6.875  -7.465  -9.106
   38    HA   PHE   7           HA       PHE   7   9.084  -6.400  -7.381
   39    HB2  PHE   7          1HB       PHE   7   6.053  -5.955  -7.211
   40    HB3  PHE   7          2HB       PHE   7   7.168  -5.706  -5.842
   41    HD1  PHE   7           HD1      PHE   7   5.870  -4.354  -8.920
   42    HD2  PHE   7           HD2      PHE   7   8.975  -3.977  -5.980
   43    HE1  PHE   7           HE1      PHE   7   6.291  -1.976  -9.650
   44    HE2  PHE   7           HE2      PHE   7   9.469  -1.731  -6.702
   45    HZ   PHE   7           HZ       PHE   7   8.118  -0.641  -8.577
   46    H    ASP   8           H        ASP   8   8.770  -7.256  -5.076
   47    HA   ASP   8           HA       ASP   8   8.022 -10.153  -5.099
   48    HB2  ASP   8          1HB       ASP   8   9.437  -8.308  -3.122
   49    HB3  ASP   8          2HB       ASP   8   8.944  -9.972  -2.714
  Start of MODEL    3
    1    H1   PHE   1           H        PHE   1   5.897  -8.185  -5.270
    2    HA   PHE   1           HA       PHE   1   4.912  -8.144  -2.526
    3    HB2  PHE   1          1HB       PHE   1   6.752  -6.342  -2.720
    4    HB3  PHE   1          2HB       PHE   1   5.685  -5.509  -3.854
    5    HD1  PHE   1           HD1      PHE   1   4.072  -3.946  -2.998
    6    HD2  PHE   1           HD2      PHE   1   5.734  -6.942  -0.418
    7    HE1  PHE   1           HE1      PHE   1   2.971  -2.897  -1.049
    8    HE2  PHE   1           HE2      PHE   1   4.523  -5.919   1.532
    9    HZ   PHE   1           HZ       PHE   1   3.143  -3.861   1.189
   10    H    VAL   2           H        VAL   2   2.824  -6.802  -2.600
   11    HA   VAL   2           HA       VAL   2   1.365  -7.466  -5.003
   12    HB   VAL   2           HB       VAL   2  -0.594  -6.175  -3.877
   13   HG11  VAL   2          1HG1      VAL   2  -0.968  -7.882  -2.228
   14   HG12  VAL   2          2HG1      VAL   2   0.782  -8.102  -1.900
   15   HG13  VAL   2          3HG1      VAL   2   0.056  -8.676  -3.425
   16   HG21  VAL   2          1HG2      VAL   2  -0.352  -5.239  -1.677
   17   HG22  VAL   2          2HG2      VAL   2   0.981  -4.562  -2.620
   18   HG23  VAL   2          3HG2      VAL   2   1.280  -5.883  -1.461
   19    H    GLY   3           H        GLY   3   0.441  -6.228  -6.609
   20    HA2  GLY   3          1HA       GLY   3   0.112  -3.734  -7.295
   21    HA3  GLY   3          2HA       GLY   3   1.856  -3.649  -7.013
   22    H    GLY   4           H        GLY   4   1.476  -2.850  -9.314
   23    HA2  GLY   4          1HA       GLY   4   1.227  -5.082 -11.223
   24    HA3  GLY   4          2HA       GLY   4   1.208  -3.330 -11.611
   25    H    THR   5           H        THR   5   3.706  -4.394  -9.505
   26    HA   THR   5           HA       THR   5   5.638  -3.888 -11.720
   27    HB   THR   5           HB       THR   5   7.261  -3.440  -9.822
   28    HG1  THR   5           HG1      THR   5   5.992  -3.179  -7.731
   29   HG21  THR   5          1HG2      THR   5   5.676  -1.669 -10.838
   30   HG22  THR   5          2HG2      THR   5   6.426  -1.306  -9.269
   31   HG23  THR   5          3HG2      THR   5   4.734  -1.838  -9.330
   32    H    SER   6           H        SER   6   7.834  -5.093 -11.434
   33    HA   SER   6           HA       SER   6   7.246  -7.913 -11.514
   34    HB2  SER   6          1HB       SER   6   9.652  -8.049 -12.099
   35    HB3  SER   6          2HB       SER   6   8.778  -6.796 -13.022
   36    HG   SER   6           HG       SER   6  10.768  -6.507 -11.071
   37    H    PHE   7           H        PHE   7   7.869  -5.787  -8.998
   38    HA   PHE   7           HA       PHE   7   9.732  -7.240  -7.326
   39    HB2  PHE   7          1HB       PHE   7   7.525  -5.143  -6.783
   40    HB3  PHE   7          2HB       PHE   7   8.482  -5.877  -5.510
   41    HD1  PHE   7           HD1      PHE   7   8.811  -3.780  -8.526
   42    HD2  PHE   7           HD2      PHE   7  10.693  -5.289  -4.953
   43    HE1  PHE   7           HE1      PHE   7  10.674  -2.121  -8.836
   44    HE2  PHE   7           HE2      PHE   7  12.607  -3.614  -5.363
   45    HZ   PHE   7           HZ       PHE   7  12.498  -2.045  -7.230
   46    H    ASP   8           H        ASP   8   9.453  -8.371  -5.478
   47    HA   ASP   8           HA       ASP   8   7.150 -10.201  -5.628
   48    HB2  ASP   8          1HB       ASP   8   9.627 -10.106  -3.842
   49    HB3  ASP   8          2HB       ASP   8   8.408 -11.409  -3.816
  Start of MODEL    4
    1    H1   PHE   1           H        PHE   1   6.474  -6.982  -5.003
    2    HA   PHE   1           HA       PHE   1   4.838  -7.125  -2.570
    3    HB2  PHE   1          1HB       PHE   1   6.345  -5.220  -3.007
    4    HB3  PHE   1          2HB       PHE   1   5.393  -4.821  -4.462
    5    HD1  PHE   1           HD1      PHE   1   3.775  -3.250  -4.315
    6    HD2  PHE   1           HD2      PHE   1   4.891  -5.401  -0.781
    7    HE1  PHE   1           HE1      PHE   1   2.228  -1.805  -2.982
    8    HE2  PHE   1           HE2      PHE   1   3.412  -3.970   0.540
    9    HZ   PHE   1           HZ       PHE   1   2.038  -2.178  -0.573
   10    H    VAL   2           H        VAL   2   2.620  -6.294  -2.651
   11    HA   VAL   2           HA       VAL   2   1.059  -7.688  -4.607
   12    HB   VAL   2           HB       VAL   2   0.184  -5.593  -2.516
   13   HG11  VAL   2          1HG1      VAL   2  -1.613  -5.997  -4.156
   14   HG12  VAL   2          2HG1      VAL   2  -2.058  -6.813  -2.669
   15   HG13  VAL   2          3HG1      VAL   2  -1.386  -7.770  -4.017
   16   HG21  VAL   2          1HG2      VAL   2   0.707  -8.590  -2.364
   17   HG22  VAL   2          2HG2      VAL   2  -0.397  -7.793  -1.218
   18   HG23  VAL   2          3HG2      VAL   2   1.286  -7.313  -1.259
   19    H    GLY   3           H        GLY   3   0.641  -7.063  -6.556
   20    HA2  GLY   3          1HA       GLY   3  -0.150  -5.655  -8.230
   21    HA3  GLY   3          2HA       GLY   3  -0.157  -4.312  -7.057
   22    H    GLY   4           H        GLY   4   2.878  -5.716  -6.804
   23    HA2  GLY   4          1HA       GLY   4   3.999  -3.302  -8.065
   24    HA3  GLY   4          2HA       GLY   4   4.841  -4.661  -7.285
   25    H    THR   5           H        THR   5   4.932  -3.115 -10.056
   26    HA   THR   5           HA       THR   5   4.675  -5.377 -11.854
   27    HB   THR   5           HB       THR   5   5.859  -3.791 -13.432
   28    HG1  THR   5           HG1      THR   5   6.859  -2.555 -11.733
   29   HG21  THR   5          1HG2      THR   5   3.886  -2.343 -13.658
   30   HG22  THR   5          2HG2      THR   5   3.366  -2.683 -12.007
   31   HG23  THR   5          3HG2      THR   5   3.302  -4.004 -13.249
   32    H    SER   6           H        SER   6   6.065  -6.951 -12.077
   33    HA   SER   6           HA       SER   6   7.897  -8.259 -11.874
   34    HB2  SER   6          1HB       SER   6   9.490  -5.733 -12.331
   35    HB3  SER   6          2HB       SER   6  10.012  -7.426 -12.589
   36    HG   SER   6           HG       SER   6   9.362  -6.348 -14.499
   37    H    PHE   7           H        PHE   7   6.853  -6.995  -9.429
   38    HA   PHE   7           HA       PHE   7   9.282  -7.226  -7.692
   39    HB2  PHE   7          1HB       PHE   7   6.853  -5.470  -7.256
   40    HB3  PHE   7          2HB       PHE   7   8.230  -5.642  -6.150
   41    HD1  PHE   7           HD1      PHE   7   6.812  -3.242  -7.954
   42    HD2  PHE   7           HD2      PHE   7  10.487  -5.446  -8.053
   43    HE1  PHE   7           HE1      PHE   7   7.964  -1.297  -9.037
   44    HE2  PHE   7           HE2      PHE   7  11.624  -3.518  -9.158
   45    HZ   PHE   7           HZ       PHE   7  10.339  -1.451  -9.654
   46    H    ASP   8           H        ASP   8   8.752  -7.993  -5.410
   47    HA   ASP   8           HA       ASP   8   6.720 -10.112  -5.655
   48    HB2  ASP   8          1HB       ASP   8   7.899 -11.183  -3.981
   49    HB3  ASP   8          2HB       ASP   8   9.193 -10.195  -4.689
  Start of MODEL    5
    1    H1   PHE   1           H        PHE   1   6.908  -8.077  -4.271
    2    HA   PHE   1           HA       PHE   1   4.610  -8.757  -2.596
    3    HB2  PHE   1          1HB       PHE   1   6.956  -8.110  -1.786
    4    HB3  PHE   1          2HB       PHE   1   6.604  -6.464  -2.293
    5    HD1  PHE   1           HD1      PHE   1   5.265  -4.969  -1.080
    6    HD2  PHE   1           HD2      PHE   1   5.689  -9.073   0.142
    7    HE1  PHE   1           HE1      PHE   1   4.243  -4.437   1.101
    8    HE2  PHE   1           HE2      PHE   1   4.587  -8.577   2.352
    9    HZ   PHE   1           HZ       PHE   1   3.866  -6.266   2.845
   10    H    VAL   2           H        VAL   2   5.328  -6.157  -4.844
   11    HA   VAL   2           HA       VAL   2   2.812  -4.794  -4.098
   12    HB   VAL   2           HB       VAL   2   5.117  -3.669  -5.816
   13   HG11  VAL   2          1HG1      VAL   2   2.808  -2.165  -4.391
   14   HG12  VAL   2          2HG1      VAL   2   2.846  -2.543  -6.151
   15   HG13  VAL   2          3HG1      VAL   2   4.048  -1.439  -5.415
   16   HG21  VAL   2          1HG2      VAL   2   4.548  -3.377  -2.817
   17   HG22  VAL   2          2HG2      VAL   2   5.635  -2.306  -3.727
   18   HG23  VAL   2          3HG2      VAL   2   6.009  -4.031  -3.596
   19    H    GLY   3           H        GLY   3   1.111  -4.968  -5.445
   20    HA2  GLY   3          1HA       GLY   3   1.307  -6.750  -7.669
   21    HA3  GLY   3          2HA       GLY   3  -0.102  -5.778  -7.229
   22    H    GLY   4           H        GLY   4   1.103  -6.203 -10.007
   23    HA2  GLY   4          1HA       GLY   4   1.142  -4.770 -11.819
   24    HA3  GLY   4          2HA       GLY   4   1.015  -3.382 -10.702
   25    H    THR   5           H        THR   5   3.534  -5.383  -9.736
   26    HA   THR   5           HA       THR   5   5.502  -3.901 -11.392
   27    HB   THR   5           HB       THR   5   6.850  -3.351  -9.498
   28    HG1  THR   5           HG1      THR   5   5.059  -4.908  -7.957
   29   HG21  THR   5          1HG2      THR   5   3.971  -2.764  -8.748
   30   HG22  THR   5          2HG2      THR   5   5.080  -1.736  -9.678
   31   HG23  THR   5          3HG2      THR   5   5.389  -2.048  -7.970
   32    H    SER   6           H        SER   6   7.656  -4.913 -11.057
   33    HA   SER   6           HA       SER   6   7.349  -7.842 -11.143
   34    HB2  SER   6          1HB       SER   6   9.754  -6.107 -11.672
   35    HB3  SER   6          2HB       SER   6   9.607  -7.811 -12.050
   36    HG   SER   6           HG       SER   6   9.187  -6.285 -13.837
   37    H    PHE   7           H        PHE   7   7.584  -5.974  -8.574
   38    HA   PHE   7           HA       PHE   7   9.889  -7.188  -7.253
   39    HB2  PHE   7          1HB       PHE   7   8.957  -4.677  -7.194
   40    HB3  PHE   7          2HB       PHE   7   7.954  -5.364  -5.896
   41    HD1  PHE   7           HD1      PHE   7   8.796  -5.790  -3.740
   42    HD2  PHE   7           HD2      PHE   7  11.495  -4.767  -6.890
   43    HE1  PHE   7           HE1      PHE   7  10.690  -5.599  -2.090
   44    HE2  PHE   7           HE2      PHE   7  13.342  -4.569  -5.326
   45    HZ   PHE   7           HZ       PHE   7  12.966  -4.965  -2.925
   46    H    ASP   8           H        ASP   8   6.806  -8.150  -7.818
   47    HA   ASP   8           HA       ASP   8   5.561  -9.814  -7.074
   48    HB2  ASP   8          1HB       ASP   8   7.712 -11.042  -6.824
   49    HB3  ASP   8          2HB       ASP   8   7.838 -10.537  -5.142
  Start of MODEL    6
    1    H1   PHE   1           H        PHE   1   6.132  -7.503  -4.518
    2    HA   PHE   1           HA       PHE   1   4.256  -9.421  -3.181
    3    HB2  PHE   1          1HB       PHE   1   5.412  -8.185  -1.335
    4    HB3  PHE   1          2HB       PHE   1   4.974  -6.644  -2.083
    5    HD1  PHE   1           HD1      PHE   1   3.088  -5.548  -1.272
    6    HD2  PHE   1           HD2      PHE   1   3.343  -9.865  -0.894
    7    HE1  PHE   1           HE1      PHE   1   0.938  -5.559  -0.031
    8    HE2  PHE   1           HE2      PHE   1   1.188  -9.852   0.394
    9    HZ   PHE   1           HZ       PHE   1  -0.045  -7.751   0.819
   10    H    VAL   2           H        VAL   2   1.988  -8.375  -3.408
   11    HA   VAL   2           HA       VAL   2   1.673  -7.579  -6.074
   12    HB   VAL   2           HB       VAL   2  -0.022  -8.807  -4.772
   13   HG11  VAL   2          1HG1      VAL   2  -1.532  -7.664  -3.229
   14   HG12  VAL   2          2HG1      VAL   2  -0.618  -6.150  -3.380
   15   HG13  VAL   2          3HG1      VAL   2   0.133  -7.586  -2.668
   16   HG21  VAL   2          1HG2      VAL   2  -0.799  -7.727  -6.861
   17   HG22  VAL   2          2HG2      VAL   2  -1.242  -6.276  -5.957
   18   HG23  VAL   2          3HG2      VAL   2  -2.065  -7.814  -5.627
   19    H    GLY   3           H        GLY   3   1.021  -5.591  -7.127
   20    HA2  GLY   3          1HA       GLY   3   0.394  -3.141  -6.148
   21    HA3  GLY   3          2HA       GLY   3   2.092  -3.265  -5.603
   22    H    GLY   4           H        GLY   4   2.627  -4.969  -8.119
   23    HA2  GLY   4          1HA       GLY   4   2.082  -3.481 -10.438
   24    HA3  GLY   4          2HA       GLY   4   3.565  -2.832  -9.756
   25    H    THR   5           H        THR   5   4.005  -3.694 -12.119
   26    HA   THR   5           HA       THR   5   4.440  -6.555 -12.322
   27    HB   THR   5           HB       THR   5   5.783  -5.785 -14.429
   28    HG1  THR   5           HG1      THR   5   6.237  -3.689 -13.688
   29   HG21  THR   5          1HG2      THR   5   3.765  -5.297 -15.670
   30   HG22  THR   5          2HG2      THR   5   2.920  -4.707 -14.248
   31   HG23  THR   5          3HG2      THR   5   3.315  -6.425 -14.392
   32    H    SER   6           H        SER   6   6.434  -7.626 -12.198
   33    HA   SER   6           HA       SER   6   8.325  -8.179 -11.069
   34    HB2  SER   6          1HB       SER   6  10.342  -6.976 -11.714
   35    HB3  SER   6          2HB       SER   6   9.224  -7.183 -13.082
   36    HG   SER   6           HG       SER   6   9.542  -4.851 -11.489
   37    H    PHE   7           H        PHE   7   6.940  -7.734  -9.071
   38    HA   PHE   7           HA       PHE   7   8.744  -6.184  -7.204
   39    HB2  PHE   7          1HB       PHE   7   5.751  -6.108  -7.530
   40    HB3  PHE   7          2HB       PHE   7   6.477  -5.934  -5.932
   41    HD1  PHE   7           HD1      PHE   7   7.847  -3.882  -5.432
   42    HD2  PHE   7           HD2      PHE   7   5.878  -4.386  -9.231
   43    HE1  PHE   7           HE1      PHE   7   8.186  -1.509  -5.871
   44    HE2  PHE   7           HE2      PHE   7   6.171  -1.923  -9.709
   45    HZ   PHE   7           HZ       PHE   7   7.366  -0.494  -8.031
   46    H    ASP   8           H        ASP   8   8.578  -7.105  -4.981
   47    HA   ASP   8           HA       ASP   8   8.447 -10.017  -4.989
   48    HB2  ASP   8          1HB       ASP   8   9.048  -7.946  -2.827
   49    HB3  ASP   8          2HB       ASP   8   9.109  -9.686  -2.559
  Start of MODEL    7
    1    H1   PHE   1           H        PHE   1   5.824  -7.628  -5.875
    2    HA   PHE   1           HA       PHE   1   4.758  -8.287  -3.220
    3    HB2  PHE   1          1HB       PHE   1   6.523  -6.513  -3.017
    4    HB3  PHE   1          2HB       PHE   1   5.659  -5.529  -4.192
    5    HD1  PHE   1           HD1      PHE   1   4.278  -3.892  -3.316
    6    HD2  PHE   1           HD2      PHE   1   5.129  -7.309  -0.939
    7    HE1  PHE   1           HE1      PHE   1   2.956  -2.876  -1.515
    8    HE2  PHE   1           HE2      PHE   1   3.838  -6.206   0.953
    9    HZ   PHE   1           HZ       PHE   1   2.662  -4.030   0.628
   10    H    VAL   2           H        VAL   2   2.663  -7.065  -2.895
   11    HA   VAL   2           HA       VAL   2   1.062  -7.573  -5.217
   12    HB   VAL   2           HB       VAL   2   0.258  -7.954  -2.879
   13   HG11  VAL   2          1HG1      VAL   2   1.142  -5.862  -1.836
   14   HG12  VAL   2          2HG1      VAL   2  -0.566  -6.121  -1.497
   15   HG13  VAL   2          3HG1      VAL   2  -0.094  -4.933  -2.727
   16   HG21  VAL   2          1HG2      VAL   2  -2.066  -7.312  -3.259
   17   HG22  VAL   2          2HG2      VAL   2  -1.341  -7.801  -4.804
   18   HG23  VAL   2          3HG2      VAL   2  -1.576  -6.099  -4.447
   19    H    GLY   3           H        GLY   3  -0.091  -6.130  -6.540
   20    HA2  GLY   3          1HA       GLY   3  -0.538  -4.172  -7.664
   21    HA3  GLY   3          2HA       GLY   3  -0.120  -3.314  -6.172
   22    H    GLY   4           H        GLY   4   2.243  -5.299  -7.717
   23    HA2  GLY   4          1HA       GLY   4   3.398  -3.034  -9.198
   24    HA3  GLY   4          2HA       GLY   4   4.341  -3.646  -7.836
   25    H    THR   5           H        THR   5   4.148  -3.797 -11.077
   26    HA   THR   5           HA       THR   5   4.437  -6.664 -11.592
   27    HB   THR   5           HB       THR   5   5.626  -5.713 -13.675
   28    HG1  THR   5           HG1      THR   5   6.136  -3.741 -12.451
   29   HG21  THR   5          1HG2      THR   5   3.291  -6.298 -13.759
   30   HG22  THR   5          2HG2      THR   5   3.619  -4.784 -14.641
   31   HG23  THR   5          3HG2      THR   5   2.882  -4.693 -13.020
   32    H    SER   6           H        SER   6   6.155  -7.877 -11.312
   33    HA   SER   6           HA       SER   6   8.150  -8.735 -10.874
   34    HB2  SER   6          1HB       SER   6   9.499  -6.259 -11.968
   35    HB3  SER   6          2HB       SER   6  10.074  -7.962 -11.974
   36    HG   SER   6           HG       SER   6   8.780  -6.818 -13.864
   37    H    PHE   7           H        PHE   7   7.047  -6.488  -8.901
   38    HA   PHE   7           HA       PHE   7   9.583  -5.811  -7.548
   39    HB2  PHE   7          1HB       PHE   7   6.723  -5.020  -7.185
   40    HB3  PHE   7          2HB       PHE   7   7.943  -4.734  -5.920
   41    HD1  PHE   7           HD1      PHE   7  10.090  -3.478  -6.577
   42    HD2  PHE   7           HD2      PHE   7   6.484  -3.487  -9.000
   43    HE1  PHE   7           HE1      PHE   7  10.798  -1.318  -7.692
   44    HE2  PHE   7           HE2      PHE   7   7.197  -1.397 -10.065
   45    HZ   PHE   7           HZ       PHE   7   9.378  -0.287  -9.371
   46    H    ASP   8           H        ASP   8   7.626  -8.364  -7.754
   47    HA   ASP   8           HA       ASP   8   6.974 -10.165  -6.532
   48    HB2  ASP   8          1HB       ASP   8   9.520 -10.318  -6.299
   49    HB3  ASP   8          2HB       ASP   8   9.287  -9.587  -4.690
  Start of MODEL    8
    1    H1   PHE   1           H        PHE   1   6.254  -7.346  -5.973
    2    HA   PHE   1           HA       PHE   1   5.344  -6.488  -3.247
    3    HB2  PHE   1          1HB       PHE   1   6.698  -4.594  -4.167
    4    HB3  PHE   1          2HB       PHE   1   5.835  -4.727  -5.685
    5    HD1  PHE   1           HD1      PHE   1   5.134  -4.017  -2.047
    6    HD2  PHE   1           HD2      PHE   1   3.996  -3.419  -6.159
    7    HE1  PHE   1           HE1      PHE   1   3.375  -2.426  -1.303
    8    HE2  PHE   1           HE2      PHE   1   2.198  -1.818  -5.414
    9    HZ   PHE   1           HZ       PHE   1   1.891  -1.285  -3.006
   10    H    VAL   2           H        VAL   2   3.164  -6.925  -3.075
   11    HA   VAL   2           HA       VAL   2   1.754  -7.839  -5.436
   12    HB   VAL   2           HB       VAL   2   0.504  -7.042  -2.773
   13   HG11  VAL   2          1HG1      VAL   2  -0.372  -9.033  -4.909
   14   HG12  VAL   2          2HG1      VAL   2  -1.041  -7.424  -4.644
   15   HG13  VAL   2          3HG1      VAL   2  -1.218  -8.651  -3.396
   16   HG21  VAL   2          1HG2      VAL   2   2.186  -8.557  -2.090
   17   HG22  VAL   2          2HG2      VAL   2   1.976  -9.608  -3.527
   18   HG23  VAL   2          3HG2      VAL   2   0.702  -9.567  -2.255
   19    H    GLY   3           H        GLY   3   0.939  -6.585  -6.963
   20    HA2  GLY   3          1HA       GLY   3  -0.818  -4.834  -7.368
   21    HA3  GLY   3          2HA       GLY   3   0.016  -3.862  -6.139
   22    H    GLY   4           H        GLY   4   2.683  -5.146  -7.396
   23    HA2  GLY   4          1HA       GLY   4   2.777  -3.230  -9.722
   24    HA3  GLY   4          2HA       GLY   4   4.000  -3.226  -8.469
   25    H    THR   5           H        THR   5   4.402  -3.620 -11.327
   26    HA   THR   5           HA       THR   5   4.741  -6.500 -11.784
   27    HB   THR   5           HB       THR   5   5.857  -5.773 -13.885
   28    HG1  THR   5           HG1      THR   5   6.893  -3.930 -13.248
   29   HG21  THR   5          1HG2      THR   5   3.463  -3.970 -13.584
   30   HG22  THR   5          2HG2      THR   5   3.249  -5.735 -13.545
   31   HG23  THR   5          3HG2      THR   5   3.989  -4.957 -14.959
   32    H    SER   6           H        SER   6   6.194  -5.160  -9.481
   33    HA   SER   6           HA       SER   6   9.039  -5.357 -10.220
   34    HB2  SER   6          1HB       SER   6   7.826  -5.194  -7.442
   35    HB3  SER   6          2HB       SER   6   9.454  -4.685  -7.944
   36    HG   SER   6           HG       SER   6   8.525  -3.025  -9.143
   37    H    PHE   7           H        PHE   7   6.543  -7.514  -9.501
   38    HA   PHE   7           HA       PHE   7   6.373  -9.704  -8.874
   39    HB2  PHE   7          1HB       PHE   7   9.283  -9.792  -9.703
   40    HB3  PHE   7          2HB       PHE   7   8.262 -11.205  -9.439
   41    HD1  PHE   7           HD1      PHE   7   9.302  -8.633 -11.803
   42    HD2  PHE   7           HD2      PHE   7   6.258 -11.511 -10.994
   43    HE1  PHE   7           HE1      PHE   7   8.579  -8.467 -14.152
   44    HE2  PHE   7           HE2      PHE   7   5.500 -11.414 -13.452
   45    HZ   PHE   7           HZ       PHE   7   6.682  -9.922 -14.986
   46    H    ASP   8           H        ASP   8   7.708  -7.651  -6.850
   47    HA   ASP   8           HA       ASP   8   7.997  -9.800  -4.791
   48    HB2  ASP   8          1HB       ASP   8  10.176  -8.660  -5.760
   49    HB3  ASP   8          2HB       ASP   8   9.721  -7.347  -4.648
  Start of MODEL    9
    1    H1   PHE   1           H        PHE   1   4.950  -7.562  -5.932
    2    HA   PHE   1           HA       PHE   1   5.268  -7.011  -3.009
    3    HB2  PHE   1          1HB       PHE   1   6.760  -5.518  -4.559
    4    HB3  PHE   1          2HB       PHE   1   5.249  -4.790  -5.031
    5    HD1  PHE   1           HD1      PHE   1   7.163  -5.672  -1.907
    6    HD2  PHE   1           HD2      PHE   1   4.499  -2.932  -3.805
    7    HE1  PHE   1           HE1      PHE   1   7.292  -4.170   0.053
    8    HE2  PHE   1           HE2      PHE   1   4.638  -1.447  -1.797
    9    HZ   PHE   1           HZ       PHE   1   6.086  -2.062   0.139
   10    H    VAL   2           H        VAL   2   3.321  -5.218  -2.648
   11    HA   VAL   2           HA       VAL   2   0.882  -6.409  -3.496
   12    HB   VAL   2           HB       VAL   2   1.313  -3.549  -2.434
   13   HG11  VAL   2          1HG1      VAL   2  -1.276  -5.177  -2.350
   14   HG12  VAL   2          2HG1      VAL   2  -0.929  -3.952  -3.562
   15   HG13  VAL   2          3HG1      VAL   2  -1.069  -3.511  -1.887
   16   HG21  VAL   2          1HG2      VAL   2   0.764  -6.152  -0.995
   17   HG22  VAL   2          2HG2      VAL   2   0.490  -4.548  -0.267
   18   HG23  VAL   2          3HG2      VAL   2   2.123  -5.016  -0.752
   19    H    GLY   3           H        GLY   3  -0.306  -6.115  -5.318
   20    HA2  GLY   3          1HA       GLY   3  -1.094  -5.093  -7.220
   21    HA3  GLY   3          2HA       GLY   3  -0.062  -3.683  -6.943
   22    H    GLY   4           H        GLY   4   0.121  -4.102  -9.465
   23    HA2  GLY   4          1HA       GLY   4   1.875  -6.306 -10.182
   24    HA3  GLY   4          2HA       GLY   4   1.297  -5.009 -11.228
   25    H    THR   5           H        THR   5   4.022  -6.258  -9.634
   26    HA   THR   5           HA       THR   5   5.604  -3.825 -10.385
   27    HB   THR   5           HB       THR   5   6.991  -4.111  -8.375
   28    HG1  THR   5           HG1      THR   5   5.109  -5.822  -7.143
   29   HG21  THR   5          1HG2      THR   5   5.533  -3.300  -6.667
   30   HG22  THR   5          2HG2      THR   5   4.069  -3.954  -7.480
   31   HG23  THR   5          3HG2      THR   5   4.972  -2.598  -8.198
   32    H    SER   6           H        SER   6   8.083  -4.616 -10.223
   33    HA   SER   6           HA       SER   6   8.192  -6.998 -11.947
   34    HB2  SER   6          1HB       SER   6   9.265  -4.751 -12.417
   35    HB3  SER   6          2HB       SER   6  10.462  -5.187 -11.154
   36    HG   SER   6           HG       SER   6  11.039  -5.755 -13.421
   37    H    PHE   7           H        PHE   7   8.160  -6.741  -8.693
   38    HA   PHE   7           HA       PHE   7  10.158  -8.867  -8.299
   39    HB2  PHE   7          1HB       PHE   7  11.174  -7.582  -6.407
   40    HB3  PHE   7          2HB       PHE   7  11.579  -7.004  -7.995
   41    HD1  PHE   7           HD1      PHE   7   9.450  -6.197  -5.043
   42    HD2  PHE   7           HD2      PHE   7  10.965  -4.876  -8.829
   43    HE1  PHE   7           HE1      PHE   7   8.645  -3.855  -4.562
   44    HE2  PHE   7           HE2      PHE   7  10.308  -2.563  -8.334
   45    HZ   PHE   7           HZ       PHE   7   9.012  -2.043  -6.260
   46    H    ASP   8           H        ASP   8   7.203  -8.729  -8.006
   47    HA   ASP   8           HA       ASP   8   5.637  -9.623  -6.570
   48    HB2  ASP   8          1HB       ASP   8   7.366 -11.508  -6.410
   49    HB3  ASP   8          2HB       ASP   8   7.898 -10.794  -4.891
  Start of MODEL   10
    1    H1   PHE   1           H        PHE   1   5.567  -8.014  -5.070
    2    HA   PHE   1           HA       PHE   1   4.630  -8.211  -2.288
    3    HB2  PHE   1          1HB       PHE   1   4.623  -5.927  -1.766
    4    HB3  PHE   1          2HB       PHE   1   6.191  -6.122  -2.485
    5    HD1  PHE   1           HD1      PHE   1   5.961  -5.873  -5.320
    6    HD2  PHE   1           HD2      PHE   1   3.520  -3.972  -2.285
    7    HE1  PHE   1           HE1      PHE   1   5.429  -4.074  -6.875
    8    HE2  PHE   1           HE2      PHE   1   2.913  -2.204  -4.029
    9    HZ   PHE   1           HZ       PHE   1   3.854  -2.283  -6.266
   10    H    VAL   2           H        VAL   2   2.529  -6.723  -2.214
   11    HA   VAL   2           HA       VAL   2   0.867  -7.707  -4.431
   12    HB   VAL   2           HB       VAL   2  -0.062  -5.870  -2.161
   13   HG11  VAL   2          1HG1      VAL   2  -1.579  -6.035  -4.100
   14   HG12  VAL   2          2HG1      VAL   2  -2.269  -6.810  -2.694
   15   HG13  VAL   2          3HG1      VAL   2  -1.571  -7.821  -3.994
   16   HG21  VAL   2          1HG2      VAL   2  -0.694  -7.860  -0.907
   17   HG22  VAL   2          2HG2      VAL   2   1.020  -8.040  -1.352
   18   HG23  VAL   2          3HG2      VAL   2  -0.237  -8.923  -2.247
   19    H    GLY   3           H        GLY   3   1.587  -6.728  -6.244
   20    HA2  GLY   3          1HA       GLY   3   0.278  -4.453  -7.077
   21    HA3  GLY   3          2HA       GLY   3   1.862  -3.866  -6.480
   22    H    GLY   4           H        GLY   4   2.005  -3.299  -8.831
   23    HA2  GLY   4          1HA       GLY   4   2.579  -5.597 -10.593
   24    HA3  GLY   4          2HA       GLY   4   2.320  -3.935 -11.103
   25    H    THR   5           H        THR   5   4.139  -4.215 -12.412
   26    HA   THR   5           HA       THR   5   6.258  -3.736 -13.040
   27    HB   THR   5           HB       THR   5   7.003  -2.594 -10.341
   28    HG1  THR   5           HG1      THR   5   5.454  -1.188 -10.513
   29   HG21  THR   5          1HG2      THR   5   8.633  -2.499 -12.269
   30   HG22  THR   5          2HG2      THR   5   8.093  -0.887 -11.716
   31   HG23  THR   5          3HG2      THR   5   7.401  -1.577 -13.208
   32    H    SER   6           H        SER   6   5.610  -6.263 -11.534
   33    HA   SER   6           HA       SER   6   6.742  -8.209 -11.167
   34    HB2  SER   6          1HB       SER   6   9.024  -6.806 -12.587
   35    HB3  SER   6          2HB       SER   6   8.792  -8.577 -12.405
   36    HG   SER   6           HG       SER   6   6.563  -7.589 -13.424
   37    H    PHE   7           H        PHE   7   6.788  -6.570  -8.951
   38    HA   PHE   7           HA       PHE   7   9.399  -7.215  -7.721
   39    HB2  PHE   7          1HB       PHE   7   7.336  -5.023  -7.030
   40    HB3  PHE   7          2HB       PHE   7   8.686  -5.484  -5.978
   41    HD1  PHE   7           HD1      PHE   7  11.119  -5.398  -7.093
   42    HD2  PHE   7           HD2      PHE   7   7.707  -3.234  -8.532
   43    HE1  PHE   7           HE1      PHE   7  12.607  -3.894  -8.302
   44    HE2  PHE   7           HE2      PHE   7   9.178  -1.606  -9.586
   45    HZ   PHE   7           HZ       PHE   7  11.671  -1.938  -9.546
   46    H    ASP   8           H        ASP   8   9.185  -7.848  -5.501
   47    HA   ASP   8           HA       ASP   8   7.212 -10.027  -5.321
   48    HB2  ASP   8          1HB       ASP   8   9.756 -10.074  -4.826
   49    HB3  ASP   8          2HB       ASP   8   9.374  -9.286  -3.294
  Start of MODEL   11
    1    H1   PHE   1           H        PHE   1   6.539  -7.166  -4.544
    2    HA   PHE   1           HA       PHE   1   4.570  -7.922  -2.517
    3    HB2  PHE   1          1HB       PHE   1   4.629  -5.650  -1.770
    4    HB3  PHE   1          2HB       PHE   1   6.274  -6.200  -2.071
    5    HD1  PHE   1           HD1      PHE   1   7.617  -5.055  -3.709
    6    HD2  PHE   1           HD2      PHE   1   3.493  -4.119  -3.368
    7    HE1  PHE   1           HE1      PHE   1   7.983  -3.054  -5.165
    8    HE2  PHE   1           HE2      PHE   1   3.792  -2.111  -4.868
    9    HZ   PHE   1           HZ       PHE   1   6.084  -1.600  -5.699
   10    H    VAL   2           H        VAL   2   2.413  -6.746  -2.406
   11    HA   VAL   2           HA       VAL   2   0.963  -7.448  -4.720
   12    HB   VAL   2           HB       VAL   2  -0.097  -7.507  -2.528
   13   HG11  VAL   2          1HG1      VAL   2  -0.722  -5.511  -1.261
   14   HG12  VAL   2          2HG1      VAL   2  -0.019  -4.448  -2.515
   15   HG13  VAL   2          3HG1      VAL   2   1.038  -5.502  -1.533
   16   HG21  VAL   2          1HG2      VAL   2  -2.279  -6.328  -3.061
   17   HG22  VAL   2          2HG2      VAL   2  -1.660  -7.222  -4.461
   18   HG23  VAL   2          3HG2      VAL   2  -1.463  -5.465  -4.362
   19    H    GLY   3           H        GLY   3   0.470  -6.467  -6.555
   20    HA2  GLY   3          1HA       GLY   3  -0.094  -4.713  -7.954
   21    HA3  GLY   3          2HA       GLY   3   0.258  -3.580  -6.664
   22    H    GLY   4           H        GLY   4   2.947  -5.521  -6.811
   23    HA2  GLY   4          1HA       GLY   4   4.371  -3.503  -8.477
   24    HA3  GLY   4          2HA       GLY   4   5.080  -4.851  -7.533
   25    H    THR   5           H        THR   5   4.936  -3.900 -10.592
   26    HA   THR   5           HA       THR   5   3.914  -6.350 -11.788
   27    HB   THR   5           HB       THR   5   5.610  -4.109 -13.005
   28    HG1  THR   5           HG1      THR   5   3.277  -3.660 -13.818
   29   HG21  THR   5          1HG2      THR   5   5.522  -6.210 -14.357
   30   HG22  THR   5          2HG2      THR   5   4.722  -4.790 -15.147
   31   HG23  THR   5          3HG2      THR   5   3.749  -6.067 -14.405
   32    H    SER   6           H        SER   6   7.056  -4.846 -11.272
   33    HA   SER   6           HA       SER   6   8.448  -7.327 -12.149
   34    HB2  SER   6          1HB       SER   6   9.547  -4.581 -11.353
   35    HB3  SER   6          2HB       SER   6  10.496  -5.857 -12.130
   36    HG   SER   6           HG       SER   6   9.913  -4.994 -13.901
   37    H    PHE   7           H        PHE   7   7.110  -6.517  -9.356
   38    HA   PHE   7           HA       PHE   7   9.432  -7.199  -7.565
   39    HB2  PHE   7          1HB       PHE   7   7.103  -5.330  -7.017
   40    HB3  PHE   7          2HB       PHE   7   8.382  -5.719  -5.892
   41    HD1  PHE   7           HD1      PHE   7  10.802  -5.101  -6.672
   42    HD2  PHE   7           HD2      PHE   7   7.297  -3.453  -8.455
   43    HE1  PHE   7           HE1      PHE   7  12.152  -3.229  -7.607
   44    HE2  PHE   7           HE2      PHE   7   8.659  -1.562  -9.387
   45    HZ   PHE   7           HZ       PHE   7  11.053  -1.490  -8.931
   46    H    ASP   8           H        ASP   8   8.617  -8.151  -5.369
   47    HA   ASP   8           HA       ASP   8   6.575 -10.151  -6.155
   48    HB2  ASP   8          1HB       ASP   8   7.392 -11.479  -4.357
   49    HB3  ASP   8          2HB       ASP   8   8.805 -10.736  -5.119
  Start of MODEL   12
    1    H1   PHE   1           H        PHE   1   5.355  -7.878  -5.124
    2    HA   PHE   1           HA       PHE   1   5.079  -8.868  -2.338
    3    HB2  PHE   1          1HB       PHE   1   7.047  -7.241  -2.365
    4    HB3  PHE   1          2HB       PHE   1   5.953  -5.973  -2.846
    5    HD1  PHE   1           HD1      PHE   1   4.497  -4.916  -1.186
    6    HD2  PHE   1           HD2      PHE   1   6.779  -8.418  -0.123
    7    HE1  PHE   1           HE1      PHE   1   4.018  -4.459   1.207
    8    HE2  PHE   1           HE2      PHE   1   6.353  -7.958   2.297
    9    HZ   PHE   1           HZ       PHE   1   4.985  -5.993   2.974
   10    H    VAL   2           H        VAL   2   4.392  -5.963  -4.415
   11    HA   VAL   2           HA       VAL   2   1.504  -6.451  -4.165
   12    HB   VAL   2           HB       VAL   2   2.240  -5.222  -2.050
   13   HG11  VAL   2          1HG1      VAL   2   4.006  -3.819  -3.190
   14   HG12  VAL   2          2HG1      VAL   2   2.892  -2.883  -2.166
   15   HG13  VAL   2          3HG1      VAL   2   2.712  -2.851  -3.948
   16   HG21  VAL   2          1HG2      VAL   2   0.283  -3.771  -3.937
   17   HG22  VAL   2          2HG2      VAL   2   0.386  -3.530  -2.191
   18   HG23  VAL   2          3HG2      VAL   2  -0.094  -5.112  -2.805
   19    H    GLY   3           H        GLY   3   0.335  -5.522  -5.699
   20    HA2  GLY   3          1HA       GLY   3  -0.215  -4.161  -7.549
   21    HA3  GLY   3          2HA       GLY   3   1.375  -3.416  -7.359
   22    H    GLY   4           H        GLY   4   0.930  -3.627  -9.807
   23    HA2  GLY   4          1HA       GLY   4   1.485  -6.252 -10.964
   24    HA3  GLY   4          2HA       GLY   4   1.168  -4.743 -11.817
   25    H    THR   5           H        THR   5   3.651  -4.588  -9.372
   26    HA   THR   5           HA       THR   5   5.562  -3.822 -11.460
   27    HB   THR   5           HB       THR   5   7.058  -3.395  -9.537
   28    HG1  THR   5           HG1      THR   5   5.332  -3.770  -7.558
   29   HG21  THR   5          1HG2      THR   5   5.619  -1.724  -8.327
   30   HG22  THR   5          2HG2      THR   5   4.195  -2.375  -9.182
   31   HG23  THR   5          3HG2      THR   5   5.534  -1.628 -10.090
   32    H    SER   6           H        SER   6   7.840  -4.925 -11.352
   33    HA   SER   6           HA       SER   6   7.503  -7.753 -11.521
   34    HB2  SER   6          1HB       SER   6  10.024  -6.065 -11.658
   35    HB3  SER   6          2HB       SER   6   9.851  -7.765 -12.182
   36    HG   SER   6           HG       SER   6   8.333  -7.073 -13.722
   37    H    PHE   7           H        PHE   7   8.132  -5.554  -8.991
   38    HA   PHE   7           HA       PHE   7   9.729  -7.328  -7.337
   39    HB2  PHE   7          1HB       PHE   7   8.010  -4.890  -6.667
   40    HB3  PHE   7          2HB       PHE   7   9.050  -5.763  -5.510
   41    HD1  PHE   7           HD1      PHE   7   8.813  -3.131  -7.959
   42    HD2  PHE   7           HD2      PHE   7  11.577  -5.896  -6.148
   43    HE1  PHE   7           HE1      PHE   7  10.748  -1.655  -8.666
   44    HE2  PHE   7           HE2      PHE   7  13.540  -4.419  -6.779
   45    HZ   PHE   7           HZ       PHE   7  13.056  -2.321  -8.115
   46    H    ASP   8           H        ASP   8   8.945  -9.038  -6.244
   47    HA   ASP   8           HA       ASP   8   6.086  -9.578  -6.423
   48    HB2  ASP   8          1HB       ASP   8   6.696 -11.778  -5.636
   49    HB3  ASP   8          2HB       ASP   8   7.714 -11.299  -7.013
  Start of MODEL   13
    1    H1   PHE   1           H        PHE   1   4.677  -8.195  -5.033
    2    HA   PHE   1           HA       PHE   1   5.141  -6.426  -2.787
    3    HB2  PHE   1          1HB       PHE   1   6.176  -5.256  -4.862
    4    HB3  PHE   1          2HB       PHE   1   4.521  -5.179  -5.449
    5    HD1  PHE   1           HD1      PHE   1   6.581  -4.264  -2.429
    6    HD2  PHE   1           HD2      PHE   1   3.316  -3.238  -5.031
    7    HE1  PHE   1           HE1      PHE   1   6.431  -2.106  -1.279
    8    HE2  PHE   1           HE2      PHE   1   3.037  -1.082  -3.765
    9    HZ   PHE   1           HZ       PHE   1   4.595  -0.500  -1.916
   10    H    VAL   2           H        VAL   2   2.906  -4.813  -3.127
   11    HA   VAL   2           HA       VAL   2   0.785  -6.826  -2.891
   12    HB   VAL   2           HB       VAL   2   0.839  -4.406  -1.913
   13   HG11  VAL   2          1HG1      VAL   2  -0.420  -3.654  -4.603
   14   HG12  VAL   2          2HG1      VAL   2   1.261  -3.310  -4.175
   15   HG13  VAL   2          3HG1      VAL   2  -0.027  -2.596  -3.193
   16   HG21  VAL   2          1HG2      VAL   2  -1.729  -5.260  -3.314
   17   HG22  VAL   2          2HG2      VAL   2  -1.563  -4.334  -1.811
   18   HG23  VAL   2          3HG2      VAL   2  -1.097  -6.040  -1.853
   19    H    GLY   3           H        GLY   3   2.158  -5.179  -5.654
   20    HA2  GLY   3          1HA       GLY   3   1.579  -6.813  -7.640
   21    HA3  GLY   3          2HA       GLY   3  -0.039  -6.075  -7.422
   22    H    GLY   4           H        GLY   4   1.330  -5.756  -9.896
   23    HA2  GLY   4          1HA       GLY   4   1.621  -3.993 -11.376
   24    HA3  GLY   4          2HA       GLY   4   1.543  -2.848 -10.047
   25    H    THR   5           H        THR   5   3.785  -5.320  -9.402
   26    HA   THR   5           HA       THR   5   5.987  -3.600 -10.454
   27    HB   THR   5           HB       THR   5   7.300  -4.434  -8.347
   28    HG1  THR   5           HG1      THR   5   6.107  -6.149  -7.626
   29   HG21  THR   5          1HG2      THR   5   6.209  -2.915  -6.811
   30   HG22  THR   5          2HG2      THR   5   4.722  -2.944  -7.804
   31   HG23  THR   5          3HG2      THR   5   6.186  -2.219  -8.425
   32    H    SER   6           H        SER   6   8.056  -4.764 -10.904
   33    HA   SER   6           HA       SER   6   7.602  -7.415 -12.066
   34    HB2  SER   6          1HB       SER   6  10.100  -7.067 -12.570
   35    HB3  SER   6          2HB       SER   6   8.918  -5.988 -13.387
   36    HG   SER   6           HG       SER   6  10.735  -4.910 -12.332
   37    H    PHE   7           H        PHE   7   8.260  -6.299  -9.023
   38    HA   PHE   7           HA       PHE   7   9.701  -8.813  -8.243
   39    HB2  PHE   7          1HB       PHE   7   9.824  -6.055  -6.983
   40    HB3  PHE   7          2HB       PHE   7  10.545  -7.558  -6.326
   41    HD1  PHE   7           HD1      PHE   7  12.476  -8.548  -7.499
   42    HD2  PHE   7           HD2      PHE   7  10.825  -4.810  -8.850
   43    HE1  PHE   7           HE1      PHE   7  14.539  -8.137  -8.808
   44    HE2  PHE   7           HE2      PHE   7  12.816  -4.404 -10.216
   45    HZ   PHE   7           HZ       PHE   7  14.686  -6.043 -10.181
   46    H    ASP   8           H        ASP   8   9.028  -9.326  -5.820
   47    HA   ASP   8           HA       ASP   8   6.144  -9.532  -5.832
   48    HB2  ASP   8          1HB       ASP   8   6.307 -10.786  -3.836
   49    HB3  ASP   8          2HB       ASP   8   7.634 -11.298  -4.871
  Start of MODEL   14
    1    H1   PHE   1           H        PHE   1   5.492 -10.091  -5.017
    2    HA   PHE   1           HA       PHE   1   3.359  -9.466  -4.752
    3    HB2  PHE   1          1HB       PHE   1   2.574  -9.397  -2.507
    4    HB3  PHE   1          2HB       PHE   1   3.850 -10.598  -2.631
    5    HD1  PHE   1           HD1      PHE   1   2.912  -7.245  -1.264
    6    HD2  PHE   1           HD2      PHE   1   5.920 -10.314  -1.450
    7    HE1  PHE   1           HE1      PHE   1   4.040  -6.208   0.708
    8    HE2  PHE   1           HE2      PHE   1   7.143  -9.268   0.439
    9    HZ   PHE   1           HZ       PHE   1   6.196  -7.214   1.560
   10    H    VAL   2           H        VAL   2   5.270  -6.814  -5.019
   11    HA   VAL   2           HA       VAL   2   3.223  -4.827  -4.102
   12    HB   VAL   2           HB       VAL   2   5.750  -4.535  -5.831
   13   HG11  VAL   2          1HG1      VAL   2   3.977  -2.361  -4.644
   14   HG12  VAL   2          2HG1      VAL   2   4.092  -2.758  -6.366
   15   HG13  VAL   2          3HG1      VAL   2   5.509  -2.107  -5.535
   16   HG21  VAL   2          1HG2      VAL   2   6.771  -3.526  -3.907
   17   HG22  VAL   2          2HG2      VAL   2   6.174  -5.140  -3.476
   18   HG23  VAL   2          3HG2      VAL   2   5.282  -3.683  -2.951
   19    H    GLY   3           H        GLY   3   1.521  -4.284  -5.207
   20    HA2  GLY   3          1HA       GLY   3   0.702  -5.954  -7.385
   21    HA3  GLY   3          2HA       GLY   3  -0.115  -4.467  -6.832
   22    H    GLY   4           H        GLY   4   0.843  -5.805  -9.526
   23    HA2  GLY   4          1HA       GLY   4   0.876  -4.782 -11.619
   24    HA3  GLY   4          2HA       GLY   4   0.844  -3.221 -10.801
   25    H    THR   5           H        THR   5   3.434  -5.185  -9.608
   26    HA   THR   5           HA       THR   5   5.319  -4.069 -11.653
   27    HB   THR   5           HB       THR   5   6.871  -3.469  -9.869
   28    HG1  THR   5           HG1      THR   5   5.063  -4.885  -8.281
   29   HG21  THR   5          1HG2      THR   5   5.708  -1.619  -8.894
   30   HG22  THR   5          2HG2      THR   5   4.143  -2.463  -8.911
   31   HG23  THR   5          3HG2      THR   5   4.882  -1.888 -10.420
   32    H    SER   6           H        SER   6   7.566  -5.148 -11.282
   33    HA   SER   6           HA       SER   6   7.153  -8.080 -11.134
   34    HB2  SER   6          1HB       SER   6   9.644  -6.470 -11.824
   35    HB3  SER   6          2HB       SER   6   9.499  -8.225 -11.908
   36    HG   SER   6           HG       SER   6   7.637  -7.827 -13.331
   37    H    PHE   7           H        PHE   7   7.762  -5.693  -8.883
   38    HA   PHE   7           HA       PHE   7   9.912  -6.878  -7.374
   39    HB2  PHE   7          1HB       PHE   7   7.774  -4.935  -6.577
   40    HB3  PHE   7          2HB       PHE   7   9.222  -5.274  -5.660
   41    HD1  PHE   7           HD1      PHE   7   7.838  -2.901  -7.890
   42    HD2  PHE   7           HD2      PHE   7  11.502  -5.128  -7.203
   43    HE1  PHE   7           HE1      PHE   7   9.143  -1.108  -9.115
   44    HE2  PHE   7           HE2      PHE   7  12.794  -3.290  -8.490
   45    HZ   PHE   7           HZ       PHE   7  11.525  -1.326  -9.396
   46    H    ASP   8           H        ASP   8   9.415  -7.849  -5.091
   47    HA   ASP   8           HA       ASP   8   7.507  -9.925  -5.398
   48    HB2  ASP   8          1HB       ASP   8   8.948  -8.781  -3.018
   49    HB3  ASP   8          2HB       ASP   8   8.057 -10.347  -3.022
  Start of MODEL   15
    1    H1   PHE   1           H        PHE   1   6.857  -7.859  -4.179
    2    HA   PHE   1           HA       PHE   1   4.696  -7.953  -2.264
    3    HB2  PHE   1          1HB       PHE   1   7.037  -7.391  -1.644
    4    HB3  PHE   1          2HB       PHE   1   6.967  -5.990  -2.695
    5    HD1  PHE   1           HD1      PHE   1   6.553  -3.931  -1.776
    6    HD2  PHE   1           HD2      PHE   1   5.103  -7.442   0.306
    7    HE1  PHE   1           HE1      PHE   1   5.791  -2.516   0.122
    8    HE2  PHE   1           HE2      PHE   1   4.371  -6.022   2.180
    9    HZ   PHE   1           HZ       PHE   1   4.689  -3.566   2.088
   10    H    VAL   2           H        VAL   2   2.791  -6.853  -2.481
   11    HA   VAL   2           HA       VAL   2   1.227  -5.296  -3.091
   12    HB   VAL   2           HB       VAL   2   3.440  -3.641  -4.365
   13   HG11  VAL   2          1HG1      VAL   2   0.508  -3.064  -3.784
   14   HG12  VAL   2          2HG1      VAL   2   1.316  -3.031  -5.375
   15   HG13  VAL   2          3HG1      VAL   2   1.697  -1.779  -4.171
   16   HG21  VAL   2          1HG2      VAL   2   3.230  -2.223  -2.304
   17   HG22  VAL   2          2HG2      VAL   2   3.773  -3.846  -1.904
   18   HG23  VAL   2          3HG2      VAL   2   2.065  -3.410  -1.657
   19    H    GLY   3           H        GLY   3   3.606  -5.777  -5.737
   20    HA2  GLY   3          1HA       GLY   3   3.292  -6.810  -7.769
   21    HA3  GLY   3          2HA       GLY   3   1.576  -7.020  -7.430
   22    H    GLY   4           H        GLY   4   2.015  -6.558  -9.805
   23    HA2  GLY   4          1HA       GLY   4   1.131  -5.109 -11.456
   24    HA3  GLY   4          2HA       GLY   4   1.110  -3.790 -10.242
   25    H    THR   5           H        THR   5   3.987  -5.406  -9.952
   26    HA   THR   5           HA       THR   5   5.475  -3.704 -11.883
   27    HB   THR   5           HB       THR   5   7.045  -3.104 -10.046
   28    HG1  THR   5           HG1      THR   5   5.115  -3.900  -8.181
   29   HG21  THR   5          1HG2      THR   5   4.256  -2.308  -9.180
   30   HG22  THR   5          2HG2      THR   5   5.107  -1.528 -10.554
   31   HG23  THR   5          3HG2      THR   5   5.778  -1.435  -8.891
   32    H    SER   6           H        SER   6   8.001  -4.660 -11.425
   33    HA   SER   6           HA       SER   6   7.884  -7.549 -11.839
   34    HB2  SER   6          1HB       SER   6  10.265  -5.800 -11.029
   35    HB3  SER   6          2HB       SER   6  10.329  -7.442 -11.759
   36    HG   SER   6           HG       SER   6  10.413  -6.291 -13.531
   37    H    PHE   7           H        PHE   7   7.705  -5.641  -8.947
   38    HA   PHE   7           HA       PHE   7   9.089  -7.712  -7.263
   39    HB2  PHE   7          1HB       PHE   7   7.409  -5.269  -6.498
   40    HB3  PHE   7          2HB       PHE   7   8.517  -6.174  -5.467
   41    HD1  PHE   7           HD1      PHE   7   8.179  -3.345  -7.641
   42    HD2  PHE   7           HD2      PHE   7  11.034  -6.293  -6.191
   43    HE1  PHE   7           HE1      PHE   7   9.970  -1.796  -8.229
   44    HE2  PHE   7           HE2      PHE   7  12.908  -4.672  -6.748
   45    HZ   PHE   7           HZ       PHE   7  12.407  -2.424  -7.738
   46    H    ASP   8           H        ASP   8   7.995  -9.171  -6.084
   47    HA   ASP   8           HA       ASP   8   5.202  -9.737  -6.639
   48    HB2  ASP   8          1HB       ASP   8   7.177 -10.854  -4.644
   49    HB3  ASP   8          2HB       ASP   8   5.546 -11.511  -4.848
  Start of MODEL   16
    1    H1   PHE   1           H        PHE   1   6.753  -7.557  -4.928
    2    HA   PHE   1           HA       PHE   1   5.065  -7.517  -2.570
    3    HB2  PHE   1          1HB       PHE   1   7.124  -6.062  -3.029
    4    HB3  PHE   1          2HB       PHE   1   6.124  -5.188  -4.203
    5    HD1  PHE   1           HD1      PHE   1   5.766  -6.357  -0.644
    6    HD2  PHE   1           HD2      PHE   1   5.261  -3.134  -3.445
    7    HE1  PHE   1           HE1      PHE   1   4.801  -4.943   1.181
    8    HE2  PHE   1           HE2      PHE   1   4.295  -1.699  -1.622
    9    HZ   PHE   1           HZ       PHE   1   4.070  -2.570   0.699
   10    H    VAL   2           H        VAL   2   3.110  -5.941  -2.458
   11    HA   VAL   2           HA       VAL   2   1.147  -6.728  -4.298
   12    HB   VAL   2           HB       VAL   2  -0.301  -4.935  -3.370
   13   HG11  VAL   2          1HG1      VAL   2   1.432  -6.364  -1.356
   14   HG12  VAL   2          2HG1      VAL   2  -0.009  -7.019  -2.162
   15   HG13  VAL   2          3HG1      VAL   2  -0.174  -5.666  -1.023
   16   HG21  VAL   2          1HG2      VAL   2   2.236  -3.948  -1.957
   17   HG22  VAL   2          2HG2      VAL   2   0.597  -3.410  -1.593
   18   HG23  VAL   2          3HG2      VAL   2   1.291  -3.065  -3.184
   19    H    GLY   3           H        GLY   3   0.148  -5.714  -6.094
   20    HA2  GLY   3          1HA       GLY   3   0.030  -3.958  -7.737
   21    HA3  GLY   3          2HA       GLY   3   1.655  -3.410  -7.236
   22    H    GLY   4           H        GLY   4   2.934  -6.068  -7.195
   23    HA2  GLY   4          1HA       GLY   4   3.954  -7.518  -8.618
   24    HA3  GLY   4          2HA       GLY   4   2.427  -7.627  -9.499
   25    H    THR   5           H        THR   5   4.135  -4.533  -9.388
   26    HA   THR   5           HA       THR   5   4.187  -4.367 -12.216
   27    HB   THR   5           HB       THR   5   5.990  -2.901 -10.195
   28    HG1  THR   5           HG1      THR   5   4.397  -1.366 -10.130
   29   HG21  THR   5          1HG2      THR   5   5.879  -0.999 -11.945
   30   HG22  THR   5          2HG2      THR   5   5.161  -2.159 -13.070
   31   HG23  THR   5          3HG2      THR   5   6.794  -2.434 -12.455
   32    H    SER   6           H        SER   6   6.599  -5.440  -9.850
   33    HA   SER   6           HA       SER   6   8.283  -6.763 -11.920
   34    HB2  SER   6          1HB       SER   6   9.162  -4.444 -12.004
   35    HB3  SER   6          2HB       SER   6   9.369  -4.496 -10.241
   36    HG   SER   6           HG       SER   6  10.713  -6.068 -12.146
   37    H    PHE   7           H        PHE   7   8.213  -5.597  -8.500
   38    HA   PHE   7           HA       PHE   7   9.495  -8.089  -7.558
   39    HB2  PHE   7          1HB       PHE   7   8.134  -5.805  -6.059
   40    HB3  PHE   7          2HB       PHE   7   9.175  -7.064  -5.348
   41    HD1  PHE   7           HD1      PHE   7  11.519  -7.332  -6.857
   42    HD2  PHE   7           HD2      PHE   7   9.217  -3.730  -6.142
   43    HE1  PHE   7           HE1      PHE   7  13.547  -5.933  -7.262
   44    HE2  PHE   7           HE2      PHE   7  11.221  -2.352  -6.539
   45    HZ   PHE   7           HZ       PHE   7  13.455  -3.465  -7.136
   46    H    ASP   8           H        ASP   8   8.460  -9.299  -5.690
   47    HA   ASP   8           HA       ASP   8   5.793 -10.162  -6.471
   48    HB2  ASP   8          1HB       ASP   8   6.124 -11.957  -4.887
   49    HB3  ASP   8          2HB       ASP   8   7.643 -11.762  -5.790
  Start of MODEL   17
    1    H1   PHE   1           H        PHE   1   6.224  -7.582  -5.107
    2    HA   PHE   1           HA       PHE   1   4.286  -7.821  -2.854
    3    HB2  PHE   1          1HB       PHE   1   6.862  -7.861  -2.050
    4    HB3  PHE   1          2HB       PHE   1   6.829  -6.166  -2.550
    5    HD1  PHE   1           HD1      PHE   1   5.299  -8.717  -0.303
    6    HD2  PHE   1           HD2      PHE   1   5.817  -4.594  -1.094
    7    HE1  PHE   1           HE1      PHE   1   4.228  -8.243   1.917
    8    HE2  PHE   1           HE2      PHE   1   4.701  -3.973   1.111
    9    HZ   PHE   1           HZ       PHE   1   3.986  -5.872   2.614
   10    H    VAL   2           H        VAL   2   3.110  -5.774  -2.864
   11    HA   VAL   2           HA       VAL   2   2.089  -4.044  -3.941
   12    HB   VAL   2           HB       VAL   2   4.840  -3.394  -5.085
   13   HG11  VAL   2          1HG1      VAL   2   2.843  -2.243  -6.192
   14   HG12  VAL   2          2HG1      VAL   2   4.035  -1.152  -5.464
   15   HG13  VAL   2          3HG1      VAL   2   2.476  -1.492  -4.611
   16   HG21  VAL   2          1HG2      VAL   2   4.955  -3.457  -2.682
   17   HG22  VAL   2          2HG2      VAL   2   3.523  -2.511  -2.503
   18   HG23  VAL   2          3HG2      VAL   2   4.976  -1.790  -3.181
   19    H    GLY   3           H        GLY   3   0.778  -5.406  -5.175
   20    HA2  GLY   3          1HA       GLY   3   1.637  -7.040  -7.327
   21    HA3  GLY   3          2HA       GLY   3  -0.048  -6.519  -7.050
   22    H    GLY   4           H        GLY   4   1.822  -6.901  -9.481
   23    HA2  GLY   4          1HA       GLY   4   1.486  -5.915 -11.644
   24    HA3  GLY   4          2HA       GLY   4   0.948  -4.403 -10.854
   25    H    THR   5           H        THR   5   3.805  -5.146  -9.190
   26    HA   THR   5           HA       THR   5   5.414  -3.538 -11.097
   27    HB   THR   5           HB       THR   5   6.968  -3.206  -9.210
   28    HG1  THR   5           HG1      THR   5   5.201  -4.514  -7.450
   29   HG21  THR   5          1HG2      THR   5   5.688  -1.802  -7.781
   30   HG22  THR   5          2HG2      THR   5   4.172  -2.664  -8.214
   31   HG23  THR   5          3HG2      THR   5   5.010  -1.703  -9.424
   32    H    SER   6           H        SER   6   7.877  -4.380 -10.893
   33    HA   SER   6           HA       SER   6   7.883  -7.101 -11.848
   34    HB2  SER   6          1HB       SER   6  10.408  -6.847 -11.610
   35    HB3  SER   6          2HB       SER   6   9.681  -5.521 -12.510
   36    HG   SER   6           HG       SER   6  11.165  -4.910 -10.840
   37    H    PHE   7           H        PHE   7   8.012  -5.753  -8.626
   38    HA   PHE   7           HA       PHE   7   9.499  -7.970  -7.502
   39    HB2  PHE   7          1HB       PHE   7   7.736  -5.855  -6.218
   40    HB3  PHE   7          2HB       PHE   7   8.930  -6.849  -5.416
   41    HD1  PHE   7           HD1      PHE   7  11.350  -6.706  -6.045
   42    HD2  PHE   7           HD2      PHE   7   8.458  -3.757  -7.119
   43    HE1  PHE   7           HE1      PHE   7  13.210  -5.006  -6.375
   44    HE2  PHE   7           HE2      PHE   7  10.183  -2.049  -7.440
   45    HZ   PHE   7           HZ       PHE   7  12.616  -2.668  -7.050
   46    H    ASP   8           H        ASP   8   8.347  -9.155  -5.520
   47    HA   ASP   8           HA       ASP   8   5.619  -9.993  -6.478
   48    HB2  ASP   8          1HB       ASP   8   7.595 -11.547  -4.695
   49    HB3  ASP   8          2HB       ASP   8   5.937 -12.020  -5.089
  Start of MODEL   18
    1    H1   PHE   1           H        PHE   1   7.137  -6.517  -5.267
    2    HA   PHE   1           HA       PHE   1   5.030  -6.174  -3.302
    3    HB2  PHE   1          1HB       PHE   1   6.415  -4.417  -4.563
    4    HB3  PHE   1          2HB       PHE   1   5.363  -4.746  -5.934
    5    HD1  PHE   1           HD1      PHE   1   5.438  -3.381  -2.511
    6    HD2  PHE   1           HD2      PHE   1   3.096  -4.048  -6.076
    7    HE1  PHE   1           HE1      PHE   1   3.778  -1.721  -1.726
    8    HE2  PHE   1           HE2      PHE   1   1.385  -2.406  -5.272
    9    HZ   PHE   1           HZ       PHE   1   1.735  -1.235  -3.120
   10    H    VAL   2           H        VAL   2   2.766  -6.107  -3.905
   11    HA   VAL   2           HA       VAL   2   2.056  -7.808  -6.305
   12    HB   VAL   2           HB       VAL   2   0.118  -8.654  -4.963
   13   HG11  VAL   2          1HG1      VAL   2   1.502 -10.289  -3.639
   14   HG12  VAL   2          2HG1      VAL   2   2.917  -9.274  -3.810
   15   HG13  VAL   2          3HG1      VAL   2   2.234  -9.998  -5.285
   16   HG21  VAL   2          1HG2      VAL   2   0.286  -8.581  -2.464
   17   HG22  VAL   2          2HG2      VAL   2  -0.023  -6.983  -3.213
   18   HG23  VAL   2          3HG2      VAL   2   1.609  -7.409  -2.633
   19    H    GLY   3           H        GLY   3   0.261  -7.090  -7.495
   20    HA2  GLY   3          1HA       GLY   3  -1.400  -5.547  -8.121
   21    HA3  GLY   3          2HA       GLY   3  -1.176  -4.733  -6.567
   22    H    GLY   4           H        GLY   4   1.797  -5.332  -8.124
   23    HA2  GLY   4          1HA       GLY   4   2.089  -3.408 -10.117
   24    HA3  GLY   4          2HA       GLY   4   2.371  -2.549  -8.579
   25    H    THR   5           H        THR   5   4.444  -2.777 -10.281
   26    HA   THR   5           HA       THR   5   6.618  -3.364 -10.473
   27    HB   THR   5           HB       THR   5   6.547  -4.837  -7.826
   28    HG1  THR   5           HG1      THR   5   5.518  -3.146  -7.110
   29   HG21  THR   5          1HG2      THR   5   8.746  -4.687  -8.635
   30   HG22  THR   5          2HG2      THR   5   8.618  -3.357  -7.508
   31   HG23  THR   5          3HG2      THR   5   8.558  -3.042  -9.228
   32    H    SER   6           H        SER   6   8.270  -5.224 -10.589
   33    HA   SER   6           HA       SER   6   6.811  -7.539 -11.748
   34    HB2  SER   6          1HB       SER   6   9.045  -8.032 -12.805
   35    HB3  SER   6          2HB       SER   6   8.352  -6.452 -13.258
   36    HG   SER   6           HG       SER   6  10.550  -6.266 -12.719
   37    H    PHE   7           H        PHE   7   8.223  -6.761  -8.821
   38    HA   PHE   7           HA       PHE   7   8.287  -9.613  -8.165
   39    HB2  PHE   7          1HB       PHE   7  10.605  -9.794  -7.449
   40    HB3  PHE   7          2HB       PHE   7  10.583  -9.221  -9.115
   41    HD1  PHE   7           HD1      PHE   7  11.129  -6.825  -9.661
   42    HD2  PHE   7           HD2      PHE   7  11.547  -8.332  -5.627
   43    HE1  PHE   7           HE1      PHE   7  12.624  -4.890  -9.029
   44    HE2  PHE   7           HE2      PHE   7  12.982  -6.427  -5.109
   45    HZ   PHE   7           HZ       PHE   7  13.573  -4.785  -6.781
   46    H    ASP   8           H        ASP   8   8.503  -9.867  -5.886
   47    HA   ASP   8           HA       ASP   8   8.233  -9.582  -3.659
   48    HB2  ASP   8          1HB       ASP   8  10.269  -8.401  -3.711
   49    HB3  ASP   8          2HB       ASP   8   9.548  -6.914  -4.311
  Start of MODEL   19
    1    H1   PHE   1           H        PHE   1   6.589  -8.263  -5.898
    2    HA   PHE   1           HA       PHE   1   5.039  -9.684  -6.694
    3    HB2  PHE   1          1HB       PHE   1   4.227  -9.673  -3.736
    4    HB3  PHE   1          2HB       PHE   1   3.575 -10.822  -4.930
    5    HD1  PHE   1           HD1      PHE   1   5.041 -12.504  -5.950
    6    HD2  PHE   1           HD2      PHE   1   6.571  -9.794  -2.943
    7    HE1  PHE   1           HE1      PHE   1   7.027 -13.956  -5.659
    8    HE2  PHE   1           HE2      PHE   1   8.521 -11.271  -2.680
    9    HZ   PHE   1           HZ       PHE   1   8.787 -13.336  -4.038
   10    H    VAL   2           H        VAL   2   2.567  -8.614  -4.387
   11    HA   VAL   2           HA       VAL   2   0.717  -8.179  -6.704
   12    HB   VAL   2           HB       VAL   2  -0.983  -7.994  -4.952
   13   HG11  VAL   2          1HG1      VAL   2  -0.926 -10.289  -4.109
   14   HG12  VAL   2          2HG1      VAL   2   0.859 -10.281  -4.192
   15   HG13  VAL   2          3HG1      VAL   2  -0.090 -10.286  -5.691
   16   HG21  VAL   2          1HG2      VAL   2   1.366  -8.060  -2.992
   17   HG22  VAL   2          2HG2      VAL   2  -0.317  -8.310  -2.527
   18   HG23  VAL   2          3HG2      VAL   2   0.159  -6.758  -3.196
   19    H    GLY   3           H        GLY   3   2.971  -6.213  -5.038
   20    HA2  GLY   3          1HA       GLY   3   1.239  -3.843  -4.914
   21    HA3  GLY   3          2HA       GLY   3   2.879  -3.976  -4.308
   22    H    GLY   4           H        GLY   4   3.177  -5.331  -7.263
   23    HA2  GLY   4          1HA       GLY   4   2.959  -3.089  -9.055
   24    HA3  GLY   4          2HA       GLY   4   4.606  -3.169  -8.424
   25    H    THR   5           H        THR   5   4.746  -3.469 -10.932
   26    HA   THR   5           HA       THR   5   4.307  -6.259 -11.795
   27    HB   THR   5           HB       THR   5   5.900  -4.079 -13.181
   28    HG1  THR   5           HG1      THR   5   4.013  -3.461 -14.086
   29   HG21  THR   5          1HG2      THR   5   4.402  -6.520 -14.273
   30   HG22  THR   5          2HG2      THR   5   6.177  -6.393 -14.143
   31   HG23  THR   5          3HG2      THR   5   5.290  -5.312 -15.249
   32    H    SER   6           H        SER   6   5.649  -7.858 -11.330
   33    HA   SER   6           HA       SER   6   7.454  -9.106 -10.881
   34    HB2  SER   6          1HB       SER   6   9.291  -6.922 -11.667
   35    HB3  SER   6          2HB       SER   6   9.490  -8.678 -11.811
   36    HG   SER   6           HG       SER   6   8.959  -7.431 -13.743
   37    H    PHE   7           H        PHE   7   7.682  -5.816  -9.518
   38    HA   PHE   7           HA       PHE   7   9.222  -7.076  -7.233
   39    HB2  PHE   7          1HB       PHE   7   8.874  -4.174  -8.053
   40    HB3  PHE   7          2HB       PHE   7   9.838  -4.793  -6.684
   41    HD1  PHE   7           HD1      PHE   7   9.858  -3.859 -10.079
   42    HD2  PHE   7           HD2      PHE   7  11.764  -6.466  -7.305
   43    HE1  PHE   7           HE1      PHE   7  11.840  -4.065 -11.604
   44    HE2  PHE   7           HE2      PHE   7  13.771  -6.697  -8.767
   45    HZ   PHE   7           HZ       PHE   7  13.783  -5.512 -10.936
   46    H    ASP   8           H        ASP   8   8.632  -6.738  -5.115
   47    HA   ASP   8           HA       ASP   8   7.168  -6.630  -3.372
   48    HB2  ASP   8          1HB       ASP   8   7.140  -4.183  -4.167
   49    HB3  ASP   8          2HB       ASP   8   5.549  -4.582  -4.839
  Start of MODEL   20
    1    H1   PHE   1           H        PHE   1   6.213  -7.199  -4.353
    2    HA   PHE   1           HA       PHE   1   4.004  -8.718  -2.996
    3    HB2  PHE   1          1HB       PHE   1   6.115  -8.252  -1.522
    4    HB3  PHE   1          2HB       PHE   1   5.475  -6.624  -1.446
    5    HD1  PHE   1           HD1      PHE   1   3.948 -10.122  -1.254
    6    HD2  PHE   1           HD2      PHE   1   4.304  -6.233   0.549
    7    HE1  PHE   1           HE1      PHE   1   2.421 -10.798   0.546
    8    HE2  PHE   1           HE2      PHE   1   2.637  -6.889   2.290
    9    HZ   PHE   1           HZ       PHE   1   1.732  -9.219   2.313
   10    H    VAL   2           H        VAL   2   2.215  -7.555  -2.626
   11    HA   VAL   2           HA       VAL   2   0.562  -6.106  -2.958
   12    HB   VAL   2           HB       VAL   2   2.327  -3.605  -2.855
   13   HG11  VAL   2          1HG1      VAL   2   0.461  -2.807  -1.461
   14   HG12  VAL   2          2HG1      VAL   2  -0.345  -4.361  -1.648
   15   HG13  VAL   2          3HG1      VAL   2  -0.082  -3.324  -3.074
   16   HG21  VAL   2          1HG2      VAL   2   2.209  -3.849  -0.289
   17   HG22  VAL   2          2HG2      VAL   2   3.418  -4.831  -1.155
   18   HG23  VAL   2          3HG2      VAL   2   1.912  -5.602  -0.588
   19    H    GLY   3           H        GLY   3   1.969  -7.073  -5.377
   20    HA2  GLY   3          1HA       GLY   3   1.440  -6.790  -7.645
   21    HA3  GLY   3          2HA       GLY   3   0.381  -5.456  -7.202
   22    H    GLY   4           H        GLY   4   1.622  -5.088  -9.511
   23    HA2  GLY   4          1HA       GLY   4   2.855  -3.095 -10.245
   24    HA3  GLY   4          2HA       GLY   4   3.947  -3.338  -8.880
   25    H    THR   5           H        THR   5   4.786  -3.043 -11.430
   26    HA   THR   5           HA       THR   5   5.129  -5.525 -12.861
   27    HB   THR   5           HB       THR   5   6.728  -2.934 -13.152
   28    HG1  THR   5           HG1      THR   5   4.961  -2.719 -14.897
   29   HG21  THR   5          1HG2      THR   5   5.897  -4.989 -15.295
   30   HG22  THR   5          2HG2      THR   5   7.477  -5.010 -14.483
   31   HG23  THR   5          3HG2      THR   5   6.994  -3.639 -15.521
   32    H    SER   6           H        SER   6   6.551  -7.039 -12.448
   33    HA   SER   6           HA       SER   6   8.209  -8.261 -11.445
   34    HB2  SER   6          1HB       SER   6   9.906  -5.790 -11.857
   35    HB3  SER   6          2HB       SER   6  10.435  -7.466 -11.744
   36    HG   SER   6           HG       SER   6  10.342  -6.817 -13.889
   37    H    PHE   7           H        PHE   7   6.463  -6.963  -9.607
   38    HA   PHE   7           HA       PHE   7   8.370  -6.357  -7.370
   39    HB2  PHE   7          1HB       PHE   7   5.629  -5.521  -8.092
   40    HB3  PHE   7          2HB       PHE   7   5.805  -6.020  -6.402
   41    HD1  PHE   7           HD1      PHE   7   7.397  -4.917  -4.898
   42    HD2  PHE   7           HD2      PHE   7   6.597  -3.526  -8.876
   43    HE1  PHE   7           HE1      PHE   7   8.329  -2.729  -4.264
   44    HE2  PHE   7           HE2      PHE   7   7.570  -1.294  -8.248
   45    HZ   PHE   7           HZ       PHE   7   8.470  -0.882  -5.993
   46    H    ASP   8           H        ASP   8   8.418  -7.628  -5.628
   47    HA   ASP   8           HA       ASP   8   7.226 -10.277  -5.783
   48    HB2  ASP   8          1HB       ASP   8   8.584 -10.708  -3.849
   49    HB3  ASP   8          2HB       ASP   8   9.548  -9.620  -4.866