*HEADER    DE NOVO PROTEIN                         11-SEP-17   6AZG              
*TITLE     PAWL-DERIVED PEPTIDE PLP-10 (CIS CONFORMER)                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLY-SER-PRO-LEU-PHE-ASP;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ZINNIA VIOLACEA;                                
*SOURCE   4 ORGANISM_TAXID: 34245                                                
*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 6AZG    0                                                
# Restraints file 1: GSPLFDV3.tbl
	ASSI	((resid	5	and	name	HN	))		((resid	4	and	name	HA										
	ASSI	((resid	4	and	name	HN	))		((resid	3	and	name	HD2										
	ASSI	((resid	6	and	name	HN	))		((resid	5	and	name	HA										
	ASSI	((resid	1	and	name	HN	))		((resid	6	and	name	HA										
	ASSI	((resid	2	and	name	HN	))		((resid	1	and	name	HA2										
	ASSI	((resid	5	and	name	HA	))	(	resid	5	and	name	HD#										
	ASSI	((resid	5	and	name	HN	))		((resid	5	and	name	HA										
	ASSI	((resid	5	and	name	HN	))		((resid	4	and	name	HN										
	ASSI	(	resid	5	and	name	HD#	)	((resid	5	and	name	HB2										
	ASSI	(	resid	5	and	name	HD#	)	((resid	5	and	name	HB1										
	ASSI	((resid	5	and	name	HN	))		((resid	4	and	name	HG										
	ASSI	((resid	4	and	name	HN	))		((resid	4	and	name	HG										
	ASSI	((resid	4	and	name	HN	))		((resid	4	and	name	HB2										
	ASSI	((resid	2	and	name	HN	))		((resid	2	and	name	HB2										
	ASSI	((resid	2	and	name	HN	))		((resid	2	and	name	HA										
	ASSI	((resid	4	and	name	HN	))		((resid	2	and	name	HA										
	ASSI	((resid	6	and	name	HN	))		((resid	1	and	name	HN										
	ASSI	((resid	6	and	name	HN	))		((resid	6	and	name	HA										
	ASSI	((resid	1	and	name	HN	))		((resid	1	and	name	HA2										
	ASSI	((resid	5	and	name	HN	))		((resid	5	and	name	HB2										
	ASSI	((resid	5	and	name	HN	))		((resid	5	and	name	HB1										
	ASSI	((resid	3	and	name	HD1	))		((resid	3	and	name	HG2										
	ASSI	((resid	3	and	name	HG1	))		((resid	3	and	name	HB2										
	ASSI	((resid	3	and	name	HG2	))		((resid	3	and	name	HB2										
	ASSI	((resid	3	and	name	HG2	))		((resid	3	and	name	HG1										
	ASSI	((resid	3	and	name	HD2	))		((resid	3	and	name	HG1										
	ASSI	((resid	3	and	name	HD2	))		((resid	3	and	name	HG2										
	ASSI	((resid	4	and	name	HG	))		((resid	3	and	name	HG1										
	ASSI	((resid	6	and	name	HN	))		((resid	5	and	name	HB1										
	ASSI	((resid	5	and	name	HN	))		((resid	4	and	name	HB2										
	ASSI	((resid	6	and	name	HN	))	(	resid	5	and	name	HD#										
	ASSI	((resid	4	and	name	HA	))		((resid	4	and	name	HN										
	ASSI	((resid	3	and	name	HD1	))		((resid	3	and	name	HG1										
	ASSI	((resid	3	and	name	HB2	))		((resid	3	and	name	HA										
	ASSI	((resid	3	and	name	HD1	))		((resid	3	and	name	HB2										
	ASSI	((resid	3	and	name	HD1	))		((resid	3	and	name	HG2										
	ASSI	((resid	3	and	name	HD2	))		((resid	3	and	name	HG2										
	ASSI	((resid	3	and	name	HG1	))		((resid	3	and	name	HB1										
	ASSI	((resid	3	and	name	HB1	))		((resid	3	and	name	HA										
ASSI	(RESI	2	AND	NAME	CA)																		
	(RESI	2	AND	NAME	C)																		
	(RESI	3	AND	NAME	N)																		
	(RESI	3	AND	NAME	CA)	1	0	80	2														
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -0.856  -2.119   0.567
    2    HA2  GLY   1          1HA       GLY   1  -0.410  -2.714  -1.705
    3    HA3  GLY   1          2HA       GLY   1  -1.344  -1.306  -2.299
    4    H    SER   2           H        SER   2   0.539  -0.414   0.309
    5    HA   SER   2           HA       SER   2   3.075   0.118  -1.047
    6    HB2  SER   2          1HB       SER   2   2.869   2.577  -0.807
    7    HB3  SER   2          2HB       SER   2   1.550   2.005  -1.847
    8    HG   SER   2           HG       SER   2   0.430   3.102  -0.333
    9    HA   PRO   3           HA       PRO   3   3.782  -0.303   3.293
   10    HB2  PRO   3          1HB       PRO   3   5.534   2.135   3.351
   11    HB3  PRO   3          2HB       PRO   3   5.885   0.464   3.939
   12    HG2  PRO   3          1HG       PRO   3   6.979   1.395   1.670
   13    HG3  PRO   3          2HG       PRO   3   6.351  -0.281   1.727
   14    HD2  PRO   3          1HD       PRO   3   5.023   2.175   0.581
   15    HD3  PRO   3          2HD       PRO   3   5.179   0.539  -0.073
   16    H    LEU   4           H        LEU   4   2.660   2.828   2.100
   17    HA   LEU   4           HA       LEU   4   1.996   3.626   4.913
   18    HB2  LEU   4          1HB       LEU   4   2.271   5.335   2.420
   19    HB3  LEU   4          2HB       LEU   4   1.882   5.924   4.030
   20    HG   LEU   4           HG       LEU   4   4.507   4.688   3.142
   21   HD11  LEU   4          1HD1      LEU   4   5.440   6.972   3.616
   22   HD12  LEU   4          2HD1      LEU   4   3.753   7.539   3.836
   23   HD13  LEU   4          3HD1      LEU   4   4.269   6.947   2.270
   24   HD21  LEU   4          1HD2      LEU   4   4.332   4.078   5.422
   25   HD22  LEU   4          2HD2      LEU   4   3.595   5.631   5.850
   26   HD23  LEU   4          3HD2      LEU   4   5.314   5.551   5.449
   27    H    PHE   5           H        PHE   5   0.256   2.819   1.963
   28    HA   PHE   5           HA       PHE   5  -2.262   3.712   3.317
   29    HB2  PHE   5          1HB       PHE   5  -3.015   4.784   1.142
   30    HB3  PHE   5          2HB       PHE   5  -1.752   5.614   2.049
   31    HD1  PHE   5           HD1      PHE   5  -2.390   3.562  -1.047
   32    HD2  PHE   5           HD2      PHE   5   0.387   5.978   1.114
   33    HE1  PHE   5           HE1      PHE   5  -0.983   3.614  -3.067
   34    HE2  PHE   5           HE2      PHE   5   1.861   6.071  -0.973
   35    HZ   PHE   5           HZ       PHE   5   1.155   4.908  -3.009
   36    H    ASP   6           H        ASP   6  -1.085   1.129   2.712
   37    HA   ASP   6           HA       ASP   6  -1.704  -0.937   2.094
   38    HB2  ASP   6          1HB       ASP   6  -4.330   0.419   1.813
   39    HB3  ASP   6          2HB       ASP   6  -4.138  -1.159   1.048
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -1.157  -0.709   1.309
    2    HA2  GLY   1          1HA       GLY   1  -0.079  -1.488  -1.183
    3    HA3  GLY   1          2HA       GLY   1   0.349   0.222  -0.872
    4    H    SER   2           H        SER   2   2.602  -1.110  -0.811
    5    HA   SER   2           HA       SER   2   2.989  -2.302   1.896
    6    HB2  SER   2          1HB       SER   2   4.051  -3.380   0.025
    7    HB3  SER   2          2HB       SER   2   4.991  -1.908  -0.348
    8    HG   SER   2           HG       SER   2   6.082  -3.540   0.913
    9    HA   PRO   3           HA       PRO   3   5.736   1.260   2.679
   10    HB2  PRO   3          1HB       PRO   3   6.338   3.295   1.055
   11    HB3  PRO   3          2HB       PRO   3   7.136   1.677   0.861
   12    HG2  PRO   3          1HG       PRO   3   4.850   2.884  -0.627
   13    HG3  PRO   3          2HG       PRO   3   6.319   2.077  -1.268
   14    HD2  PRO   3          1HD       PRO   3   3.891   0.754  -0.901
   15    HD3  PRO   3          2HD       PRO   3   5.500  -0.057  -0.765
   16    H    LEU   4           H        LEU   4   2.594   1.640   1.599
   17    HA   LEU   4           HA       LEU   4   2.112   3.849   3.366
   18    HB2  LEU   4          1HB       LEU   4   1.131   5.305   1.802
   19    HB3  LEU   4          2HB       LEU   4   2.704   4.947   1.132
   20    HG   LEU   4           HG       LEU   4   0.047   3.803   0.228
   21   HD11  LEU   4          1HD1      LEU   4   0.099   6.209  -0.072
   22   HD12  LEU   4          2HD1      LEU   4   0.313   5.452  -1.670
   23   HD13  LEU   4          3HD1      LEU   4   1.715   6.141  -0.803
   24   HD21  LEU   4          1HD2      LEU   4   1.067   3.100  -1.786
   25   HD22  LEU   4          2HD2      LEU   4   1.942   2.382  -0.443
   26   HD23  LEU   4          3HD2      LEU   4   2.627   3.775  -1.312
   27    H    PHE   5           H        PHE   5  -0.408   4.119   3.417
   28    HA   PHE   5           HA       PHE   5  -1.693   1.680   3.906
   29    HB2  PHE   5          1HB       PHE   5  -2.383   3.947   4.753
   30    HB3  PHE   5          2HB       PHE   5  -2.816   4.385   3.080
   31    HD1  PHE   5           HD1      PHE   5  -3.712   2.179   5.998
   32    HD2  PHE   5           HD2      PHE   5  -4.987   3.726   2.131
   33    HE1  PHE   5           HE1      PHE   5  -5.970   1.281   6.396
   34    HE2  PHE   5           HE2      PHE   5  -7.288   2.839   2.541
   35    HZ   PHE   5           HZ       PHE   5  -7.807   1.617   4.646
   36    H    ASP   6           H        ASP   6  -3.068   0.403   2.683
   37    HA   ASP   6           HA       ASP   6  -3.905  -0.695   0.867
   38    HB2  ASP   6          1HB       ASP   6  -5.304   1.415   0.708
   39    HB3  ASP   6          2HB       ASP   6  -4.125   2.016  -0.471
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -1.138  -0.271   1.156
    2    HA2  GLY   1          1HA       GLY   1  -0.356  -2.011  -0.993
    3    HA3  GLY   1          2HA       GLY   1   0.227  -0.343  -1.342
    4    H    SER   2           H        SER   2   2.305  -1.944  -0.853
    5    HA   SER   2           HA       SER   2   2.818  -2.418   1.956
    6    HB2  SER   2          1HB       SER   2   4.796  -2.151  -0.340
    7    HB3  SER   2          2HB       SER   2   5.185  -2.733   1.290
    8    HG   SER   2           HG       SER   2   3.374  -4.312   0.830
    9    HA   PRO   3           HA       PRO   3   5.044   1.677   2.325
   10    HB2  PRO   3          1HB       PRO   3   4.916   3.635   0.473
   11    HB3  PRO   3          2HB       PRO   3   6.122   2.361   0.320
   12    HG2  PRO   3          1HG       PRO   3   3.501   2.640  -1.045
   13    HG3  PRO   3          2HG       PRO   3   5.085   2.234  -1.709
   14    HD2  PRO   3          1HD       PRO   3   3.162   0.359  -1.109
   15    HD3  PRO   3          2HD       PRO   3   4.947   0.023  -0.997
   16    H    LEU   4           H        LEU   4   4.012   3.576   3.350
   17    HA   LEU   4           HA       LEU   4   2.163   4.756   4.220
   18    HB2  LEU   4          1HB       LEU   4   1.246   4.600   1.353
   19    HB3  LEU   4          2HB       LEU   4   0.387   5.494   2.587
   20    HG   LEU   4           HG       LEU   4   1.563   7.037   1.227
   21   HD11  LEU   4          1HD1      LEU   4   1.550   7.522   3.692
   22   HD12  LEU   4          2HD1      LEU   4   2.974   8.215   2.874
   23   HD13  LEU   4          3HD1      LEU   4   3.118   6.724   3.845
   24   HD21  LEU   4          1HD2      LEU   4   3.291   5.329   0.435
   25   HD22  LEU   4          2HD2      LEU   4   4.210   5.785   1.913
   26   HD23  LEU   4          3HD2      LEU   4   3.845   7.006   0.690
   27    H    PHE   5           H        PHE   5  -0.392   3.711   2.184
   28    HA   PHE   5           HA       PHE   5  -0.904   1.186   3.606
   29    HB2  PHE   5          1HB       PHE   5  -3.077   1.930   4.390
   30    HB3  PHE   5          2HB       PHE   5  -1.832   2.974   5.093
   31    HD1  PHE   5           HD1      PHE   5  -4.811   2.776   3.047
   32    HD2  PHE   5           HD2      PHE   5  -1.491   5.357   4.087
   33    HE1  PHE   5           HE1      PHE   5  -6.116   4.772   2.267
   34    HE2  PHE   5           HE2      PHE   5  -2.782   7.327   3.317
   35    HZ   PHE   5           HZ       PHE   5  -5.123   7.062   2.429
   36    H    ASP   6           H        ASP   6  -3.093   0.423   2.593
   37    HA   ASP   6           HA       ASP   6  -4.124  -0.356   0.736
   38    HB2  ASP   6          1HB       ASP   6  -4.908   2.006   0.596
   39    HB3  ASP   6          2HB       ASP   6  -3.583   2.343  -0.547
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -0.866  -0.413   1.351
    2    HA2  GLY   1          1HA       GLY   1  -0.591  -2.772   0.169
    3    HA3  GLY   1          2HA       GLY   1  -0.245  -1.754  -1.227
    4    H    SER   2           H        SER   2   1.765  -1.215  -1.585
    5    HA   SER   2           HA       SER   2   3.862  -1.990   0.206
    6    HB2  SER   2          1HB       SER   2   4.112  -1.979  -2.273
    7    HB3  SER   2          2HB       SER   2   4.105  -0.221  -2.253
    8    HG   SER   2           HG       SER   2   5.886  -0.530  -0.597
    9    HA   PRO   3           HA       PRO   3   4.333   2.633   1.099
   10    HB2  PRO   3          1HB       PRO   3   1.533   3.640   0.638
   11    HB3  PRO   3          2HB       PRO   3   3.135   4.421   0.297
   12    HG2  PRO   3          1HG       PRO   3   1.659   3.523  -1.701
   13    HG3  PRO   3          2HG       PRO   3   3.441   3.265  -1.694
   14    HD2  PRO   3          1HD       PRO   3   1.243   1.336  -0.788
   15    HD3  PRO   3          2HD       PRO   3   2.538   1.016  -1.962
   16    H    LEU   4           H        LEU   4   3.076   4.085   2.887
   17    HA   LEU   4           HA       LEU   4   2.526   2.348   5.061
   18    HB2  LEU   4          1HB       LEU   4   1.906   5.274   4.445
   19    HB3  LEU   4          2HB       LEU   4   1.545   4.566   6.024
   20    HG   LEU   4           HG       LEU   4   4.340   4.588   4.849
   21   HD11  LEU   4          1HD1      LEU   4   2.952   6.556   6.689
   22   HD12  LEU   4          2HD1      LEU   4   3.553   6.863   5.032
   23   HD13  LEU   4          3HD1      LEU   4   4.697   6.541   6.347
   24   HD21  LEU   4          1HD2      LEU   4   4.132   2.959   6.581
   25   HD22  LEU   4          2HD2      LEU   4   3.351   4.141   7.667
   26   HD23  LEU   4          3HD2      LEU   4   5.047   4.336   7.134
   27    H    PHE   5           H        PHE   5   0.398   3.480   2.467
   28    HA   PHE   5           HA       PHE   5  -1.867   2.119   3.820
   29    HB2  PHE   5          1HB       PHE   5  -2.064   4.702   2.167
   30    HB3  PHE   5          2HB       PHE   5  -3.391   3.823   2.913
   31    HD1  PHE   5           HD1      PHE   5  -3.487   3.652   5.476
   32    HD2  PHE   5           HD2      PHE   5  -0.769   6.302   3.387
   33    HE1  PHE   5           HE1      PHE   5  -3.132   4.979   7.539
   34    HE2  PHE   5           HE2      PHE   5  -0.468   7.646   5.401
   35    HZ   PHE   5           HZ       PHE   5  -1.637   7.022   7.522
   36    H    ASP   6           H        ASP   6  -3.340   1.243   2.253
   37    HA   ASP   6           HA       ASP   6  -3.955   0.117   0.441
   38    HB2  ASP   6          1HB       ASP   6  -3.965   2.521  -0.323
   39    HB3  ASP   6          2HB       ASP   6  -2.502   2.124  -1.216
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -0.814  -1.607   0.667
    2    HA2  GLY   1          1HA       GLY   1  -0.464  -2.364  -1.714
    3    HA3  GLY   1          2HA       GLY   1  -1.129  -0.797  -2.242
    4    H    SER   2           H        SER   2   0.619  -0.088   0.472
    5    HA   SER   2           HA       SER   2   3.368  -0.090  -0.664
    6    HB2  SER   2          1HB       SER   2   3.546   2.258  -0.916
    7    HB3  SER   2          2HB       SER   2   1.969   1.980  -1.653
    8    HG   SER   2           HG       SER   2   1.078   3.150  -0.211
    9    HA   PRO   3           HA       PRO   3   3.975   0.093   3.701
   10    HB2  PRO   3          1HB       PRO   3   6.055   1.791   4.203
   11    HB3  PRO   3          2HB       PRO   3   6.218   0.225   3.321
   12    HG2  PRO   3          1HG       PRO   3   5.934   3.021   2.157
   13    HG3  PRO   3          2HG       PRO   3   7.221   1.742   1.893
   14    HD2  PRO   3          1HD       PRO   3   5.104   2.116   0.294
   15    HD3  PRO   3          2HD       PRO   3   5.788   0.470   0.592
   16    H    LEU   4           H        LEU   4   2.718   2.790   2.041
   17    HA   LEU   4           HA       LEU   4   2.380   4.356   4.592
   18    HB2  LEU   4          1HB       LEU   4   2.308   5.315   1.703
   19    HB3  LEU   4          2HB       LEU   4   2.063   6.327   3.135
   20    HG   LEU   4           HG       LEU   4   4.603   4.764   2.629
   21   HD11  LEU   4          1HD1      LEU   4   3.903   7.671   2.105
   22   HD12  LEU   4          2HD1      LEU   4   4.244   6.423   0.911
   23   HD13  LEU   4          3HD1      LEU   4   5.524   6.972   2.026
   24   HD21  LEU   4          1HD2      LEU   4   5.509   6.424   4.307
   25   HD22  LEU   4          2HD2      LEU   4   4.363   5.235   4.988
   26   HD23  LEU   4          3HD2      LEU   4   3.837   6.906   4.654
   27    H    PHE   5           H        PHE   5   0.732   2.536   2.104
   28    HA   PHE   5           HA       PHE   5  -1.830   3.105   3.436
   29    HB2  PHE   5          1HB       PHE   5  -2.992   3.741   1.315
   30    HB3  PHE   5          2HB       PHE   5  -1.923   4.995   1.914
   31    HD1  PHE   5           HD1      PHE   5  -0.245   5.918   0.668
   32    HD2  PHE   5           HD2      PHE   5  -2.082   2.250  -0.655
   33    HE1  PHE   5           HE1      PHE   5   0.971   6.110  -1.516
   34    HE2  PHE   5           HE2      PHE   5  -0.811   2.349  -2.791
   35    HZ   PHE   5           HZ       PHE   5   0.697   4.263  -3.222
   36    H    ASP   6           H        ASP   6  -3.530   1.572   2.056
   37    HA   ASP   6           HA       ASP   6  -2.437  -1.072   2.016
   38    HB2  ASP   6          1HB       ASP   6  -4.953   0.151   0.867
   39    HB3  ASP   6          2HB       ASP   6  -4.563  -1.548   0.604
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -1.050  -1.882   0.684
    2    HA2  GLY   1          1HA       GLY   1  -0.286  -2.683  -1.385
    3    HA3  GLY   1          2HA       GLY   1  -1.129  -1.406  -2.259
    4    H    SER   2           H        SER   2   0.612  -0.170   0.454
    5    HA   SER   2           HA       SER   2   3.172   0.099  -0.906
    6    HB2  SER   2          1HB       SER   2   3.118   2.540  -0.960
    7    HB3  SER   2          2HB       SER   2   1.684   1.947  -1.853
    8    HG   SER   2           HG       SER   2   0.387   2.728  -0.431
    9    HA   PRO   3           HA       PRO   3   4.151   0.101   3.341
   10    HB2  PRO   3          1HB       PRO   3   5.976   1.978   4.017
   11    HB3  PRO   3          2HB       PRO   3   6.383   0.581   3.000
   12    HG2  PRO   3          1HG       PRO   3   5.627   3.375   2.185
   13    HG3  PRO   3          2HG       PRO   3   7.040   2.376   1.666
   14    HD2  PRO   3          1HD       PRO   3   4.865   2.651   0.185
   15    HD3  PRO   3          2HD       PRO   3   5.726   1.073   0.233
   16    H    LEU   4           H        LEU   4   2.971   3.130   2.077
   17    HA   LEU   4           HA       LEU   4   2.374   4.125   4.793
   18    HB2  LEU   4          1HB       LEU   4   2.210   5.419   2.036
   19    HB3  LEU   4          2HB       LEU   4   1.629   6.249   3.468
   20    HG   LEU   4           HG       LEU   4   4.482   5.386   2.913
   21   HD11  LEU   4          1HD1      LEU   4   4.987   7.797   2.766
   22   HD12  LEU   4          2HD1      LEU   4   3.256   8.210   3.044
   23   HD13  LEU   4          3HD1      LEU   4   3.771   7.332   1.566
   24   HD21  LEU   4          1HD2      LEU   4   3.665   7.167   5.192
   25   HD22  LEU   4          2HD2      LEU   4   5.144   6.284   4.935
   26   HD23  LEU   4          3HD2      LEU   4   3.735   5.424   5.409
   27    H    PHE   5           H        PHE   5   0.671   2.781   1.983
   28    HA   PHE   5           HA       PHE   5  -1.927   3.189   3.449
   29    HB2  PHE   5          1HB       PHE   5  -1.482   5.068   1.698
   30    HB3  PHE   5          2HB       PHE   5  -1.580   3.786   0.493
   31    HD1  PHE   5           HD1      PHE   5  -3.574   2.977  -0.333
   32    HD2  PHE   5           HD2      PHE   5  -3.528   5.603   3.036
   33    HE1  PHE   5           HE1      PHE   5  -6.118   3.283  -0.528
   34    HE2  PHE   5           HE2      PHE   5  -6.062   5.866   2.868
   35    HZ   PHE   5           HZ       PHE   5  -7.309   4.732   1.070
   36    H    ASP   6           H        ASP   6  -3.544   1.675   2.056
   37    HA   ASP   6           HA       ASP   6  -2.482  -0.993   1.935
   38    HB2  ASP   6          1HB       ASP   6  -4.954   0.435   1.030
   39    HB3  ASP   6          2HB       ASP   6  -4.568  -1.002   0.118
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -0.953  -0.258   1.379
    2    HA2  GLY   1          1HA       GLY   1  -0.254  -1.913  -0.817
    3    HA3  GLY   1          2HA       GLY   1   0.548  -0.345  -1.033
    4    H    SER   2           H        SER   2   2.629  -1.384  -0.693
    5    HA   SER   2           HA       SER   2   3.034  -2.262   2.147
    6    HB2  SER   2          1HB       SER   2   5.386  -1.833   0.432
    7    HB3  SER   2          2HB       SER   2   5.004  -3.227   1.440
    8    HG   SER   2           HG       SER   2   3.622  -3.963  -0.131
    9    HA   PRO   3           HA       PRO   3   5.528   1.686   2.270
   10    HB2  PRO   3          1HB       PRO   3   4.764   3.316  -0.203
   11    HB3  PRO   3          2HB       PRO   3   6.383   3.050   0.530
   12    HG2  PRO   3          1HG       PRO   3   5.787   1.850  -1.757
   13    HG3  PRO   3          2HG       PRO   3   6.603   0.930  -0.412
   14    HD2  PRO   3          1HD       PRO   3   3.633   1.037  -1.089
   15    HD3  PRO   3          2HD       PRO   3   4.760  -0.370  -1.006
   16    H    LEU   4           H        LEU   4   2.320   1.508   1.009
   17    HA   LEU   4           HA       LEU   4   1.510   4.047   2.396
   18    HB2  LEU   4          1HB       LEU   4   0.237   2.566   0.022
   19    HB3  LEU   4          2HB       LEU   4  -0.343   4.086   0.754
   20    HG   LEU   4           HG       LEU   4   2.268   3.741  -0.710
   21   HD11  LEU   4          1HD1      LEU   4  -0.326   5.184  -1.566
   22   HD12  LEU   4          2HD1      LEU   4   0.107   3.514  -2.068
   23   HD13  LEU   4          3HD1      LEU   4   1.145   4.879  -2.549
   24   HD21  LEU   4          1HD2      LEU   4   2.484   5.569   0.939
   25   HD22  LEU   4          2HD2      LEU   4   0.932   6.276   0.393
   26   HD23  LEU   4          3HD2      LEU   4   2.341   6.246  -0.698
   27    H    PHE   5           H        PHE   5  -0.911   3.843   3.032
   28    HA   PHE   5           HA       PHE   5  -1.271   1.412   4.584
   29    HB2  PHE   5          1HB       PHE   5  -3.380   2.372   5.252
   30    HB3  PHE   5          2HB       PHE   5  -2.161   3.642   5.307
   31    HD1  PHE   5           HD1      PHE   5  -5.165   2.447   3.614
   32    HD2  PHE   5           HD2      PHE   5  -2.198   5.507   3.671
   33    HE1  PHE   5           HE1      PHE   5  -6.616   3.882   2.182
   34    HE2  PHE   5           HE2      PHE   5  -3.628   6.933   2.235
   35    HZ   PHE   5           HZ       PHE   5  -5.830   6.112   1.482
   36    H    ASP   6           H        ASP   6  -1.883   2.402   1.304
   37    HA   ASP   6           HA       ASP   6  -3.778   0.096   0.886
   38    HB2  ASP   6          1HB       ASP   6  -4.515   2.467   0.189
   39    HB3  ASP   6          2HB       ASP   6  -3.133   2.491  -0.943
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -1.244  -2.098   0.594
    2    HA2  GLY   1          1HA       GLY   1  -0.384  -2.796  -1.495
    3    HA3  GLY   1          2HA       GLY   1  -1.167  -1.411  -2.264
    4    H    SER   2           H        SER   2   0.412  -0.272   0.397
    5    HA   SER   2           HA       SER   2   3.034   0.125  -0.972
    6    HB2  SER   2          1HB       SER   2   1.163   2.390  -0.052
    7    HB3  SER   2          2HB       SER   2   2.812   2.573  -0.669
    8    HG   SER   2           HG       SER   2   0.625   1.501  -2.129
    9    HA   PRO   3           HA       PRO   3   4.110   0.125   3.248
   10    HB2  PRO   3          1HB       PRO   3   5.925   2.109   3.795
   11    HB3  PRO   3          2HB       PRO   3   6.341   0.680   2.808
   12    HG2  PRO   3          1HG       PRO   3   5.476   3.393   1.864
   13    HG3  PRO   3          2HG       PRO   3   6.905   2.419   1.365
   14    HD2  PRO   3          1HD       PRO   3   4.658   2.426  -0.111
   15    HD3  PRO   3          2HD       PRO   3   5.580   0.909   0.162
   16    H    LEU   4           H        LEU   4   2.929   3.278   2.131
   17    HA   LEU   4           HA       LEU   4   2.403   4.124   4.914
   18    HB2  LEU   4          1HB       LEU   4   2.390   5.413   2.202
   19    HB3  LEU   4          2HB       LEU   4   1.330   6.092   3.433
   20    HG   LEU   4           HG       LEU   4   3.237   6.548   4.887
   21   HD11  LEU   4          1HD1      LEU   4   5.584   6.481   4.002
   22   HD12  LEU   4          2HD1      LEU   4   5.040   5.544   2.599
   23   HD13  LEU   4          3HD1      LEU   4   4.909   4.855   4.234
   24   HD21  LEU   4          1HD2      LEU   4   2.317   8.132   3.285
   25   HD22  LEU   4          2HD2      LEU   4   3.565   7.638   2.121
   26   HD23  LEU   4          3HD2      LEU   4   4.043   8.384   3.656
   27    H    PHE   5           H        PHE   5   0.644   3.014   2.002
   28    HA   PHE   5           HA       PHE   5  -1.948   3.095   3.470
   29    HB2  PHE   5          1HB       PHE   5  -1.499   4.073   0.608
   30    HB3  PHE   5          2HB       PHE   5  -3.065   3.753   1.318
   31    HD1  PHE   5           HD1      PHE   5  -3.855   5.134   3.291
   32    HD2  PHE   5           HD2      PHE   5  -0.361   6.201   0.982
   33    HE1  PHE   5           HE1      PHE   5  -3.918   7.455   4.196
   34    HE2  PHE   5           HE2      PHE   5  -0.455   8.453   1.862
   35    HZ   PHE   5           HZ       PHE   5  -2.242   9.135   3.460
   36    H    ASP   6           H        ASP   6  -3.438   1.628   2.068
   37    HA   ASP   6           HA       ASP   6  -2.262  -0.909   2.013
   38    HB2  ASP   6          1HB       ASP   6  -4.370  -1.695   0.997
   39    HB3  ASP   6          2HB       ASP   6  -4.715  -0.467   2.234
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -1.475  -1.165   1.366
    2    HA2  GLY   1          1HA       GLY   1  -0.132  -2.763   0.242
    3    HA3  GLY   1          2HA       GLY   1  -0.675  -2.161  -1.322
    4    H    SER   2           H        SER   2   0.041   0.634  -0.399
    5    HA   SER   2           HA       SER   2   2.819   0.562  -1.311
    6    HB2  SER   2          1HB       SER   2   1.006   2.813  -0.256
    7    HB3  SER   2          2HB       SER   2   2.568   3.021  -1.094
    8    HG   SER   2           HG       SER   2   0.130   2.737  -2.118
    9    HA   PRO   3           HA       PRO   3   4.739   0.414   2.708
   10    HB2  PRO   3          1HB       PRO   3   5.854   3.181   2.342
   11    HB3  PRO   3          2HB       PRO   3   6.767   1.665   2.752
   12    HG2  PRO   3          1HG       PRO   3   6.982   2.604   0.329
   13    HG3  PRO   3          2HG       PRO   3   6.679   0.841   0.544
   14    HD2  PRO   3          1HD       PRO   3   4.721   3.044  -0.167
   15    HD3  PRO   3          2HD       PRO   3   4.955   1.385  -0.900
   16    H    LEU   4           H        LEU   4   2.892   3.306   1.969
   17    HA   LEU   4           HA       LEU   4   2.619   3.887   4.888
   18    HB2  LEU   4          1HB       LEU   4   2.937   5.831   3.409
   19    HB3  LEU   4          2HB       LEU   4   1.495   5.357   2.481
   20    HG   LEU   4           HG       LEU   4   0.078   5.743   4.422
   21   HD11  LEU   4          1HD1      LEU   4   1.170   6.901   6.459
   22   HD12  LEU   4          2HD1      LEU   4   2.698   6.218   5.829
   23   HD13  LEU   4          3HD1      LEU   4   1.362   5.135   6.291
   24   HD21  LEU   4          1HD2      LEU   4   0.385   8.210   4.663
   25   HD22  LEU   4          2HD2      LEU   4   0.502   7.688   2.970
   26   HD23  LEU   4          3HD2      LEU   4   1.982   8.073   3.908
   27    H    PHE   5           H        PHE   5   0.385   3.365   2.057
   28    HA   PHE   5           HA       PHE   5  -1.348   1.731   3.679
   29    HB2  PHE   5          1HB       PHE   5  -3.285   3.120   3.564
   30    HB3  PHE   5          2HB       PHE   5  -2.006   4.129   4.200
   31    HD1  PHE   5           HD1      PHE   5  -4.648   3.903   1.797
   32    HD2  PHE   5           HD2      PHE   5  -0.714   5.540   2.276
   33    HE1  PHE   5           HE1      PHE   5  -5.150   5.596   0.018
   34    HE2  PHE   5           HE2      PHE   5  -1.166   7.132   0.438
   35    HZ   PHE   5           HZ       PHE   5  -3.377   7.176  -0.687
   36    H    ASP   6           H        ASP   6  -3.243   0.897   2.466
   37    HA   ASP   6           HA       ASP   6  -4.016  -0.307   0.703
   38    HB2  ASP   6          1HB       ASP   6  -3.277   2.318  -0.696
   39    HB3  ASP   6          2HB       ASP   6  -4.135   1.005  -1.513
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -1.171  -1.597   1.061
    2    HA2  GLY   1          1HA       GLY   1  -0.100  -2.899  -0.534
    3    HA3  GLY   1          2HA       GLY   1  -0.873  -1.954  -1.818
    4    H    SER   2           H        SER   2   0.099   0.563  -0.260
    5    HA   SER   2           HA       SER   2   2.911   0.474  -1.272
    6    HB2  SER   2          1HB       SER   2   1.236   2.296  -1.931
    7    HB3  SER   2          2HB       SER   2   1.250   2.889  -0.267
    8    HG   SER   2           HG       SER   2   2.954   3.538  -2.166
    9    HA   PRO   3           HA       PRO   3   4.132   0.037   2.965
   10    HB2  PRO   3          1HB       PRO   3   5.758   2.562   2.794
   11    HB3  PRO   3          2HB       PRO   3   6.290   0.966   3.333
   12    HG2  PRO   3          1HG       PRO   3   7.033   1.876   0.981
   13    HG3  PRO   3          2HG       PRO   3   6.528   0.178   1.172
   14    HD2  PRO   3          1HD       PRO   3   4.970   2.507   0.044
   15    HD3  PRO   3          2HD       PRO   3   5.062   0.814  -0.524
   16    H    LEU   4           H        LEU   4   2.929   3.238   2.054
   17    HA   LEU   4           HA       LEU   4   2.550   3.926   4.893
   18    HB2  LEU   4          1HB       LEU   4   1.739   5.378   2.350
   19    HB3  LEU   4          2HB       LEU   4   1.565   6.019   3.965
   20    HG   LEU   4           HG       LEU   4   4.196   5.485   2.540
   21   HD11  LEU   4          1HD1      LEU   4   4.404   7.842   2.431
   22   HD12  LEU   4          2HD1      LEU   4   2.828   8.083   3.280
   23   HD13  LEU   4          3HD1      LEU   4   2.885   7.335   1.608
   24   HD21  LEU   4          1HD2      LEU   4   3.567   6.596   5.334
   25   HD22  LEU   4          2HD2      LEU   4   5.126   6.914   4.500
   26   HD23  LEU   4          3HD2      LEU   4   4.624   5.262   4.891
   27    H    PHE   5           H        PHE   5   0.502   3.310   1.973
   28    HA   PHE   5           HA       PHE   5  -1.745   2.475   3.695
   29    HB2  PHE   5          1HB       PHE   5  -1.889   4.654   1.562
   30    HB3  PHE   5          2HB       PHE   5  -3.269   3.868   2.362
   31    HD1  PHE   5           HD1      PHE   5  -0.850   6.563   2.634
   32    HD2  PHE   5           HD2      PHE   5  -3.572   4.103   4.892
   33    HE1  PHE   5           HE1      PHE   5  -0.754   8.170   4.443
   34    HE2  PHE   5           HE2      PHE   5  -3.531   5.825   6.715
   35    HZ   PHE   5           HZ       PHE   5  -2.120   7.845   6.503
   36    H    ASP   6           H        ASP   6  -3.084   1.128   2.670
   37    HA   ASP   6           HA       ASP   6  -3.204  -0.791   1.444
   38    HB2  ASP   6          1HB       ASP   6  -4.802  -0.447  -0.365
   39    HB3  ASP   6          2HB       ASP   6  -5.176   0.449   1.101
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -0.812   0.294   0.803
    2    HA2  GLY   1          1HA       GLY   1  -0.388  -1.977  -1.039
    3    HA3  GLY   1          2HA       GLY   1   0.240  -0.347  -1.539
    4    H    SER   2           H        SER   2   2.405  -1.635  -1.250
    5    HA   SER   2           HA       SER   2   3.249  -2.547   1.352
    6    HB2  SER   2          1HB       SER   2   4.361  -3.303  -0.681
    7    HB3  SER   2          2HB       SER   2   4.868  -1.645  -1.078
    8    HG   SER   2           HG       SER   2   5.645  -3.125   1.229
    9    HA   PRO   3           HA       PRO   3   5.084   1.490   2.377
   10    HB2  PRO   3          1HB       PRO   3   5.141   3.743   0.927
   11    HB3  PRO   3          2HB       PRO   3   6.338   2.448   0.681
   12    HG2  PRO   3          1HG       PRO   3   3.824   3.089  -0.844
   13    HG3  PRO   3          2HG       PRO   3   5.428   2.746  -1.495
   14    HD2  PRO   3          1HD       PRO   3   3.483   0.842  -1.321
   15    HD3  PRO   3          2HD       PRO   3   5.221   0.449  -1.248
   16    H    LEU   4           H        LEU   4   3.949   3.043   3.713
   17    HA   LEU   4           HA       LEU   4   2.200   4.134   4.620
   18    HB2  LEU   4          1HB       LEU   4   1.494   4.769   1.769
   19    HB3  LEU   4          2HB       LEU   4   0.835   5.578   3.193
   20    HG   LEU   4           HG       LEU   4   3.761   5.670   2.291
   21   HD11  LEU   4          1HD1      LEU   4   1.522   7.807   2.152
   22   HD12  LEU   4          2HD1      LEU   4   2.213   6.985   0.766
   23   HD13  LEU   4          3HD1      LEU   4   3.186   8.105   1.741
   24   HD21  LEU   4          1HD2      LEU   4   3.834   7.573   4.004
   25   HD22  LEU   4          2HD2      LEU   4   3.657   5.939   4.719
   26   HD23  LEU   4          3HD2      LEU   4   2.238   7.007   4.600
   27    H    PHE   5           H        PHE   5  -0.130   3.894   2.171
   28    HA   PHE   5           HA       PHE   5  -1.556   1.808   3.795
   29    HB2  PHE   5          1HB       PHE   5  -2.750   4.407   2.777
   30    HB3  PHE   5          2HB       PHE   5  -3.568   3.158   3.749
   31    HD1  PHE   5           HD1      PHE   5  -1.686   6.182   3.873
   32    HD2  PHE   5           HD2      PHE   5  -2.664   2.630   6.079
   33    HE1  PHE   5           HE1      PHE   5  -1.043   7.371   5.972
   34    HE2  PHE   5           HE2      PHE   5  -1.985   3.825   8.221
   35    HZ   PHE   5           HZ       PHE   5  -1.139   6.144   8.212
   36    H    ASP   6           H        ASP   6  -3.310   0.862   2.688
   37    HA   ASP   6           HA       ASP   6  -3.988  -0.553   1.092
   38    HB2  ASP   6          1HB       ASP   6  -5.025   0.270  -0.780
   39    HB3  ASP   6          2HB       ASP   6  -5.147   1.558   0.468
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -2.154  -0.442  -1.252
    2    HA2  GLY   1          1HA       GLY   1  -0.446  -2.716  -0.606
    3    HA3  GLY   1          2HA       GLY   1  -0.751  -2.084  -2.241
    4    H    SER   2           H        SER   2   0.015   0.672  -0.911
    5    HA   SER   2           HA       SER   2   2.889   0.412  -1.523
    6    HB2  SER   2          1HB       SER   2   1.104   2.818  -0.964
    7    HB3  SER   2          2HB       SER   2   2.811   2.938  -1.465
    8    HG   SER   2           HG       SER   2   1.208   3.171  -3.151
    9    HA   PRO   3           HA       PRO   3   3.776   0.639   2.763
   10    HB2  PRO   3          1HB       PRO   3   5.560   2.688   3.241
   11    HB3  PRO   3          2HB       PRO   3   6.004   1.049   2.604
   12    HG2  PRO   3          1HG       PRO   3   5.483   3.604   1.049
   13    HG3  PRO   3          2HG       PRO   3   6.889   2.489   0.907
   14    HD2  PRO   3          1HD       PRO   3   4.844   2.223  -0.843
   15    HD3  PRO   3          2HD       PRO   3   5.598   0.797  -0.114
   16    H    LEU   4           H        LEU   4   2.571   1.314   4.312
   17    HA   LEU   4           HA       LEU   4   1.115   2.510   5.590
   18    HB2  LEU   4          1HB       LEU   4   2.340   5.063   4.498
   19    HB3  LEU   4          2HB       LEU   4   1.557   4.786   6.064
   20    HG   LEU   4           HG       LEU   4   4.178   3.513   5.326
   21   HD11  LEU   4          1HD1      LEU   4   5.269   5.350   6.418
   22   HD12  LEU   4          2HD1      LEU   4   3.727   6.051   6.916
   23   HD13  LEU   4          3HD1      LEU   4   4.169   6.023   5.206
   24   HD21  LEU   4          1HD2      LEU   4   2.981   4.004   8.055
   25   HD22  LEU   4          2HD2      LEU   4   4.545   3.235   7.702
   26   HD23  LEU   4          3HD2      LEU   4   3.025   2.428   7.238
   27    H    PHE   5           H        PHE   5   0.693   2.361   2.447
   28    HA   PHE   5           HA       PHE   5  -1.873   3.716   2.604
   29    HB2  PHE   5          1HB       PHE   5  -0.204   5.381   1.594
   30    HB3  PHE   5          2HB       PHE   5   0.040   4.284   0.280
   31    HD1  PHE   5           HD1      PHE   5  -2.433   6.501   1.968
   32    HD2  PHE   5           HD2      PHE   5  -1.659   4.040  -1.426
   33    HE1  PHE   5           HE1      PHE   5  -4.458   7.476   0.820
   34    HE2  PHE   5           HE2      PHE   5  -3.678   5.031  -2.585
   35    HZ   PHE   5           HZ       PHE   5  -5.022   6.699  -1.467
   36    H    ASP   6           H        ASP   6  -2.578   1.523   2.806
   37    HA   ASP   6           HA       ASP   6  -3.386  -0.471   1.952
   38    HB2  ASP   6          1HB       ASP   6  -3.232   1.043  -0.675
   39    HB3  ASP   6          2HB       ASP   6  -4.152  -0.449  -0.363
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -1.432  -1.673   1.104
    2    HA2  GLY   1          1HA       GLY   1  -0.106  -2.927  -0.393
    3    HA3  GLY   1          2HA       GLY   1  -0.715  -1.931  -1.748
    4    H    SER   2           H        SER   2   0.036   0.683  -0.750
    5    HA   SER   2           HA       SER   2   2.911   0.595  -1.290
    6    HB2  SER   2          1HB       SER   2   2.856   2.944  -1.168
    7    HB3  SER   2          2HB       SER   2   1.285   2.561  -1.871
    8    HG   SER   2           HG       SER   2   0.311   2.856   0.088
    9    HA   PRO   3           HA       PRO   3   4.170   0.086   2.765
   10    HB2  PRO   3          1HB       PRO   3   6.142   1.753   3.443
   11    HB3  PRO   3          2HB       PRO   3   6.376   0.570   2.140
   12    HG2  PRO   3          1HG       PRO   3   5.673   3.435   1.742
   13    HG3  PRO   3          2HG       PRO   3   6.970   2.449   0.969
   14    HD2  PRO   3          1HD       PRO   3   4.595   2.844  -0.216
   15    HD3  PRO   3          2HD       PRO   3   5.478   1.280  -0.300
   16    H    LEU   4           H        LEU   4   2.789   3.146   2.069
   17    HA   LEU   4           HA       LEU   4   2.486   3.759   4.936
   18    HB2  LEU   4          1HB       LEU   4   1.830   5.411   2.455
   19    HB3  LEU   4          2HB       LEU   4   1.678   5.947   4.121
   20    HG   LEU   4           HG       LEU   4   4.300   5.257   2.756
   21   HD11  LEU   4          1HD1      LEU   4   3.194   7.989   3.546
   22   HD12  LEU   4          2HD1      LEU   4   3.112   7.338   1.892
   23   HD13  LEU   4          3HD1      LEU   4   4.685   7.635   2.631
   24   HD21  LEU   4          1HD2      LEU   4   5.298   6.415   4.743
   25   HD22  LEU   4          2HD2      LEU   4   4.557   4.864   5.068
   26   HD23  LEU   4          3HD2      LEU   4   3.688   6.358   5.511
   27    H    PHE   5           H        PHE   5   0.577   3.075   1.969
   28    HA   PHE   5           HA       PHE   5  -1.713   2.398   3.647
   29    HB2  PHE   5          1HB       PHE   5  -1.959   4.817   3.627
   30    HB3  PHE   5          2HB       PHE   5  -1.697   4.884   1.876
   31    HD1  PHE   5           HD1      PHE   5  -3.553   4.617   0.438
   32    HD2  PHE   5           HD2      PHE   5  -4.043   3.790   4.581
   33    HE1  PHE   5           HE1      PHE   5  -5.958   4.275   0.067
   34    HE2  PHE   5           HE2      PHE   5  -6.505   3.553   4.298
   35    HZ   PHE   5           HZ       PHE   5  -7.478   3.789   2.024
   36    H    ASP   6           H        ASP   6  -2.961   0.906   2.719
   37    HA   ASP   6           HA       ASP   6  -3.519  -0.700   1.235
   38    HB2  ASP   6          1HB       ASP   6  -3.986   1.943  -0.047
   39    HB3  ASP   6          2HB       ASP   6  -4.357   0.473  -0.981
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -1.445  -1.069   1.426
    2    HA2  GLY   1          1HA       GLY   1  -0.295  -2.914   0.547
    3    HA3  GLY   1          2HA       GLY   1  -0.835  -2.521  -1.074
    4    H    SER   2           H        SER   2  -0.062   0.316  -0.797
    5    HA   SER   2           HA       SER   2   2.772   0.191  -1.585
    6    HB2  SER   2          1HB       SER   2   0.782   2.446  -1.234
    7    HB3  SER   2          2HB       SER   2   2.428   2.718  -1.822
    8    HG   SER   2           HG       SER   2   1.967   1.506  -3.623
    9    HA   PRO   3           HA       PRO   3   4.292   1.120   2.404
   10    HB2  PRO   3          1HB       PRO   3   5.758   3.488   2.277
   11    HB3  PRO   3          2HB       PRO   3   6.357   1.918   1.656
   12    HG2  PRO   3          1HG       PRO   3   5.002   4.111   0.079
   13    HG3  PRO   3          2HG       PRO   3   6.595   3.291  -0.190
   14    HD2  PRO   3          1HD       PRO   3   4.431   2.399  -1.473
   15    HD3  PRO   3          2HD       PRO   3   5.551   1.217  -0.671
   16    H    LEU   4           H        LEU   4   3.530   2.071   4.209
   17    HA   LEU   4           HA       LEU   4   2.287   3.355   5.579
   18    HB2  LEU   4          1HB       LEU   4   2.007   5.465   3.448
   19    HB3  LEU   4          2HB       LEU   4   1.649   5.622   5.155
   20    HG   LEU   4           HG       LEU   4   4.414   5.083   3.994
   21   HD11  LEU   4          1HD1      LEU   4   3.052   7.625   4.888
   22   HD12  LEU   4          2HD1      LEU   4   3.712   7.244   3.265
   23   HD13  LEU   4          3HD1      LEU   4   4.796   7.478   4.641
   24   HD21  LEU   4          1HD2      LEU   4   4.176   4.240   6.286
   25   HD22  LEU   4          2HD2      LEU   4   3.630   5.859   6.775
   26   HD23  LEU   4          3HD2      LEU   4   5.262   5.628   6.189
   27    H    PHE   5           H        PHE   5   0.778   3.080   2.285
   28    HA   PHE   5           HA       PHE   5  -1.581   2.071   3.634
   29    HB2  PHE   5          1HB       PHE   5  -3.127   3.658   2.599
   30    HB3  PHE   5          2HB       PHE   5  -2.062   4.399   3.780
   31    HD1  PHE   5           HD1      PHE   5  -2.969   4.251   0.170
   32    HD2  PHE   5           HD2      PHE   5  -0.273   5.941   3.096
   33    HE1  PHE   5           HE1      PHE   5  -2.276   6.021  -1.412
   34    HE2  PHE   5           HE2      PHE   5   0.447   7.660   1.450
   35    HZ   PHE   5           HZ       PHE   5  -0.568   7.675  -0.854
   36    H    ASP   6           H        ASP   6  -3.207   1.192   2.274
   37    HA   ASP   6           HA       ASP   6  -3.914  -0.172   0.663
   38    HB2  ASP   6          1HB       ASP   6  -3.121   2.256  -0.870
   39    HB3  ASP   6          2HB       ASP   6  -3.959   0.946  -1.692
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -1.259  -2.043   0.673
    2    HA2  GLY   1          1HA       GLY   1  -0.280  -2.891  -1.228
    3    HA3  GLY   1          2HA       GLY   1  -1.164  -1.661  -2.216
    4    H    SER   2           H        SER   2   0.411  -0.219   0.410
    5    HA   SER   2           HA       SER   2   2.990   0.203  -1.006
    6    HB2  SER   2          1HB       SER   2   0.844   2.275  -0.436
    7    HB3  SER   2          2HB       SER   2   2.546   2.763  -0.609
    8    HG   SER   2           HG       SER   2   1.006   1.378  -2.568
    9    HA   PRO   3           HA       PRO   3   4.546   0.254   3.121
   10    HB2  PRO   3          1HB       PRO   3   5.746   2.949   2.694
   11    HB3  PRO   3          2HB       PRO   3   6.584   1.448   3.183
   12    HG2  PRO   3          1HG       PRO   3   6.899   2.347   0.770
   13    HG3  PRO   3          2HG       PRO   3   6.568   0.608   0.998
   14    HD2  PRO   3          1HD       PRO   3   4.663   2.817   0.180
   15    HD3  PRO   3          2HD       PRO   3   4.903   1.197  -0.566
   16    H    LEU   4           H        LEU   4   2.869   3.278   2.131
   17    HA   LEU   4           HA       LEU   4   2.139   3.751   5.002
   18    HB2  LEU   4          1HB       LEU   4   2.119   6.016   4.651
   19    HB3  LEU   4          2HB       LEU   4   3.679   5.422   4.160
   20    HG   LEU   4           HG       LEU   4   1.461   6.330   2.315
   21   HD11  LEU   4          1HD1      LEU   4   2.910   8.282   1.878
   22   HD12  LEU   4          2HD1      LEU   4   4.047   7.696   3.108
   23   HD13  LEU   4          3HD1      LEU   4   2.410   8.172   3.588
   24   HD21  LEU   4          1HD2      LEU   4   2.732   4.784   1.035
   25   HD22  LEU   4          2HD2      LEU   4   4.265   5.442   1.666
   26   HD23  LEU   4          3HD2      LEU   4   3.280   6.413   0.566
   27    H    PHE   5           H        PHE   5   0.681   2.619   2.391
   28    HA   PHE   5           HA       PHE   5  -1.913   3.074   3.524
   29    HB2  PHE   5          1HB       PHE   5  -3.038   4.030   1.547
   30    HB3  PHE   5          2HB       PHE   5  -1.869   5.172   2.188
   31    HD1  PHE   5           HD1      PHE   5   0.106   5.745   0.887
   32    HD2  PHE   5           HD2      PHE   5  -2.625   2.835  -0.625
   33    HE1  PHE   5           HE1      PHE   5   1.144   6.041  -1.338
   34    HE2  PHE   5           HE2      PHE   5  -1.640   3.085  -2.854
   35    HZ   PHE   5           HZ       PHE   5   0.233   4.691  -3.288
   36    H    ASP   6           H        ASP   6  -3.548   1.715   1.967
   37    HA   ASP   6           HA       ASP   6  -2.372  -0.833   1.913
   38    HB2  ASP   6          1HB       ASP   6  -4.324  -1.643   1.038
   39    HB3  ASP   6          2HB       ASP   6  -4.770  -0.331   2.106
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -1.129  -0.490   1.270
    2    HA2  GLY   1          1HA       GLY   1  -0.236  -1.561  -1.200
    3    HA3  GLY   1          2HA       GLY   1   0.446   0.102  -0.947
    4    H    SER   2           H        SER   2   2.580  -0.744  -0.702
    5    HA   SER   2           HA       SER   2   2.885  -2.165   1.906
    6    HB2  SER   2          1HB       SER   2   3.873  -3.340   0.042
    7    HB3  SER   2          2HB       SER   2   4.846  -1.873  -0.413
    8    HG   SER   2           HG       SER   2   5.044  -3.263   2.123
    9    HA   PRO   3           HA       PRO   3   5.818   1.268   2.765
   10    HB2  PRO   3          1HB       PRO   3   6.463   3.360   1.156
   11    HB3  PRO   3          2HB       PRO   3   7.225   1.768   0.890
   12    HG2  PRO   3          1HG       PRO   3   4.925   2.997  -0.542
   13    HG3  PRO   3          2HG       PRO   3   6.334   2.132  -1.209
   14    HD2  PRO   3          1HD       PRO   3   3.829   0.939  -0.822
   15    HD3  PRO   3          2HD       PRO   3   5.404   0.069  -0.843
   16    H    LEU   4           H        LEU   4   2.704   1.695   1.511
   17    HA   LEU   4           HA       LEU   4   2.134   3.933   3.442
   18    HB2  LEU   4          1HB       LEU   4   0.735   4.983   1.571
   19    HB3  LEU   4          2HB       LEU   4   2.423   5.359   1.660
   20    HG   LEU   4           HG       LEU   4   2.856   3.926  -0.304
   21   HD11  LEU   4          1HD1      LEU   4   1.073   2.304  -0.162
   22   HD12  LEU   4          2HD1      LEU   4   1.011   3.175  -1.727
   23   HD13  LEU   4          3HD1      LEU   4  -0.144   3.589  -0.432
   24   HD21  LEU   4          1HD2      LEU   4   1.901   5.340  -1.997
   25   HD22  LEU   4          2HD2      LEU   4   2.460   6.319  -0.613
   26   HD23  LEU   4          3HD2      LEU   4   0.720   5.977  -0.821
   27    H    PHE   5           H        PHE   5  -0.453   4.170   3.387
   28    HA   PHE   5           HA       PHE   5  -1.583   1.633   3.834
   29    HB2  PHE   5          1HB       PHE   5  -3.755   2.892   3.902
   30    HB3  PHE   5          2HB       PHE   5  -2.467   3.549   4.965
   31    HD1  PHE   5           HD1      PHE   5  -4.362   4.070   1.745
   32    HD2  PHE   5           HD2      PHE   5  -1.534   5.748   4.577
   33    HE1  PHE   5           HE1      PHE   5  -4.641   6.366   0.694
   34    HE2  PHE   5           HE2      PHE   5  -1.809   8.063   3.506
   35    HZ   PHE   5           HZ       PHE   5  -3.357   8.316   1.587
   36    H    ASP   6           H        ASP   6  -3.251   0.477   2.733
   37    HA   ASP   6           HA       ASP   6  -3.950  -0.665   0.830
   38    HB2  ASP   6          1HB       ASP   6  -5.406   1.288   0.589
   39    HB3  ASP   6          2HB       ASP   6  -4.129   2.132  -0.314
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -0.889   0.521   0.630
    2    HA2  GLY   1          1HA       GLY   1  -0.413  -1.872  -1.127
    3    HA3  GLY   1          2HA       GLY   1   0.385  -0.342  -1.504
    4    H    SER   2           H        SER   2   2.343  -1.645  -1.157
    5    HA   SER   2           HA       SER   2   3.052  -2.578   1.506
    6    HB2  SER   2          1HB       SER   2   5.410  -1.933   0.006
    7    HB3  SER   2          2HB       SER   2   4.714  -3.501   0.302
    8    HG   SER   2           HG       SER   2   3.855  -3.496  -1.653
    9    HA   PRO   3           HA       PRO   3   5.024   1.511   2.409
   10    HB2  PRO   3          1HB       PRO   3   4.955   3.685   0.733
   11    HB3  PRO   3          2HB       PRO   3   6.208   2.385   0.611
   12    HG2  PRO   3          1HG       PRO   3   3.609   2.743  -0.968
   13    HG3  PRO   3          2HG       PRO   3   5.306   2.551  -1.529
   14    HD2  PRO   3          1HD       PRO   3   3.538   0.438  -1.297
   15    HD3  PRO   3          2HD       PRO   3   5.307   0.257  -1.050
   16    H    LEU   4           H        LEU   4   3.977   3.331   3.516
   17    HA   LEU   4           HA       LEU   4   2.260   4.434   4.437
   18    HB2  LEU   4          1HB       LEU   4   1.383   4.701   1.551
   19    HB3  LEU   4          2HB       LEU   4   0.756   5.648   2.924
   20    HG   LEU   4           HG       LEU   4   3.702   5.604   2.135
   21   HD11  LEU   4          1HD1      LEU   4   1.490   7.599   1.432
   22   HD12  LEU   4          2HD1      LEU   4   2.414   6.613   0.286
   23   HD13  LEU   4          3HD1      LEU   4   3.224   7.908   1.207
   24   HD21  LEU   4          1HD2      LEU   4   2.018   7.373   4.012
   25   HD22  LEU   4          2HD2      LEU   4   3.700   7.725   3.575
   26   HD23  LEU   4          3HD2      LEU   4   3.310   6.260   4.512
   27    H    PHE   5           H        PHE   5  -0.246   3.823   2.202
   28    HA   PHE   5           HA       PHE   5  -1.286   1.618   3.797
   29    HB2  PHE   5          1HB       PHE   5  -3.459   2.703   3.961
   30    HB3  PHE   5          2HB       PHE   5  -2.264   3.764   4.698
   31    HD1  PHE   5           HD1      PHE   5  -1.533   5.889   3.499
   32    HD2  PHE   5           HD2      PHE   5  -4.617   3.316   1.878
   33    HE1  PHE   5           HE1      PHE   5  -2.319   7.677   2.064
   34    HE2  PHE   5           HE2      PHE   5  -5.333   5.145   0.319
   35    HZ   PHE   5           HZ       PHE   5  -4.196   7.315   0.424
   36    H    ASP   6           H        ASP   6  -3.221   0.707   2.617
   37    HA   ASP   6           HA       ASP   6  -4.125  -0.370   0.884
   38    HB2  ASP   6          1HB       ASP   6  -3.606   2.239  -0.386
   39    HB3  ASP   6          2HB       ASP   6  -4.033   0.879  -1.409
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -0.914  -1.751   0.682
    2    HA2  GLY   1          1HA       GLY   1  -0.452  -2.645  -1.577
    3    HA3  GLY   1          2HA       GLY   1  -1.053  -1.096  -2.249
    4    H    SER   2           H        SER   2   0.471   0.095   0.189
    5    HA   SER   2           HA       SER   2   3.271  -0.040  -0.784
    6    HB2  SER   2          1HB       SER   2   1.750   2.585  -0.214
    7    HB3  SER   2          2HB       SER   2   3.444   2.447  -0.690
    8    HG   SER   2           HG       SER   2   1.165   1.781  -2.269
    9    HA   PRO   3           HA       PRO   3   3.709   0.012   3.772
   10    HB2  PRO   3          1HB       PRO   3   5.650   2.277   3.467
   11    HB3  PRO   3          2HB       PRO   3   5.826   0.741   4.346
   12    HG2  PRO   3          1HG       PRO   3   7.115   0.918   1.999
   13    HG3  PRO   3          2HG       PRO   3   6.112  -0.455   2.336
   14    HD2  PRO   3          1HD       PRO   3   5.382   2.010   0.809
   15    HD3  PRO   3          2HD       PRO   3   5.310   0.293   0.289
   16    H    LEU   4           H        LEU   4   3.231   3.061   2.059
   17    HA   LEU   4           HA       LEU   4   2.569   4.655   4.373
   18    HB2  LEU   4          1HB       LEU   4   1.864   5.009   1.445
   19    HB3  LEU   4          2HB       LEU   4   1.585   6.198   2.693
   20    HG   LEU   4           HG       LEU   4   3.364   6.922   1.387
   21   HD11  LEU   4          1HD1      LEU   4   3.569   7.204   3.890
   22   HD12  LEU   4          2HD1      LEU   4   5.062   7.380   2.988
   23   HD13  LEU   4          3HD1      LEU   4   4.749   5.897   3.895
   24   HD21  LEU   4          1HD2      LEU   4   4.072   4.797   0.418
   25   HD22  LEU   4          2HD2      LEU   4   4.883   4.342   1.943
   26   HD23  LEU   4          3HD2      LEU   4   5.449   5.740   1.026
   27    H    PHE   5           H        PHE   5   0.510   3.101   1.789
   28    HA   PHE   5           HA       PHE   5  -1.599   2.671   3.779
   29    HB2  PHE   5          1HB       PHE   5  -3.344   3.844   2.566
   30    HB3  PHE   5          2HB       PHE   5  -2.027   4.982   2.912
   31    HD1  PHE   5           HD1      PHE   5  -3.715   3.114   0.201
   32    HD2  PHE   5           HD2      PHE   5  -0.603   5.935   1.186
   33    HE1  PHE   5           HE1      PHE   5  -3.505   3.605  -2.152
   34    HE2  PHE   5           HE2      PHE   5  -0.426   6.546  -1.229
   35    HZ   PHE   5           HZ       PHE   5  -1.892   5.317  -2.907
   36    H    ASP   6           H        ASP   6  -3.291   1.282   2.630
   37    HA   ASP   6           HA       ASP   6  -2.580  -1.065   1.777
   38    HB2  ASP   6          1HB       ASP   6  -4.832   0.609   0.631
   39    HB3  ASP   6          2HB       ASP   6  -4.593  -1.052   0.103
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -0.778  -0.256   1.191
    2    HA2  GLY   1          1HA       GLY   1  -0.332  -2.131  -0.937
    3    HA3  GLY   1          2HA       GLY   1   0.335  -0.521  -1.336
    4    H    SER   2           H        SER   2   2.356  -1.579  -1.430
    5    HA   SER   2           HA       SER   2   3.643  -2.668   0.945
    6    HB2  SER   2          1HB       SER   2   4.383  -3.065  -1.393
    7    HB3  SER   2          2HB       SER   2   4.890  -1.360  -1.516
    8    HG   SER   2           HG       SER   2   6.315  -1.751   0.250
    9    HA   PRO   3           HA       PRO   3   5.115   1.702   1.816
   10    HB2  PRO   3          1HB       PRO   3   4.145   3.898   0.574
   11    HB3  PRO   3          2HB       PRO   3   5.438   2.968  -0.127
   12    HG2  PRO   3          1HG       PRO   3   2.508   2.752  -0.694
   13    HG3  PRO   3          2HG       PRO   3   3.824   3.052  -1.856
   14    HD2  PRO   3          1HD       PRO   3   2.811   0.606  -1.381
   15    HD3  PRO   3          2HD       PRO   3   4.570   0.853  -1.714
   16    H    LEU   4           H        LEU   4   3.853   3.800   2.777
   17    HA   LEU   4           HA       LEU   4   1.837   2.648   4.408
   18    HB2  LEU   4          1HB       LEU   4   1.487   4.824   5.285
   19    HB3  LEU   4          2HB       LEU   4   3.203   4.682   4.995
   20    HG   LEU   4           HG       LEU   4   1.317   6.258   3.195
   21   HD11  LEU   4          1HD1      LEU   4   1.246   7.133   5.427
   22   HD12  LEU   4          2HD1      LEU   4   2.426   8.139   4.612
   23   HD13  LEU   4          3HD1      LEU   4   2.979   6.865   5.701
   24   HD21  LEU   4          1HD2      LEU   4   4.421   6.190   3.372
   25   HD22  LEU   4          2HD2      LEU   4   3.479   7.459   2.534
   26   HD23  LEU   4          3HD2      LEU   4   3.396   5.788   1.938
   27    H    PHE   5           H        PHE   5  -0.298   2.669   4.425
   28    HA   PHE   5           HA       PHE   5  -2.424   2.547   3.683
   29    HB2  PHE   5          1HB       PHE   5  -1.560   4.958   2.089
   30    HB3  PHE   5          2HB       PHE   5  -3.221   4.341   2.095
   31    HD1  PHE   5           HD1      PHE   5  -4.531   4.407   4.251
   32    HD2  PHE   5           HD2      PHE   5  -0.649   6.267   3.947
   33    HE1  PHE   5           HE1      PHE   5  -4.988   5.651   6.336
   34    HE2  PHE   5           HE2      PHE   5  -1.110   7.511   6.023
   35    HZ   PHE   5           HZ       PHE   5  -3.288   7.228   7.219
   36    H    ASP   6           H        ASP   6  -3.282   0.986   2.626
   37    HA   ASP   6           HA       ASP   6  -3.819  -0.546   1.082
   38    HB2  ASP   6          1HB       ASP   6  -4.749   1.881   0.384
   39    HB3  ASP   6          2HB       ASP   6  -3.769   1.552  -1.056
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -0.883  -1.232   1.246
    2    HA2  GLY   1          1HA       GLY   1  -0.432  -2.535  -1.133
    3    HA3  GLY   1          2HA       GLY   1  -0.185  -0.828  -1.628
    4    H    SER   2           H        SER   2   2.186  -1.185  -1.890
    5    HA   SER   2           HA       SER   2   3.797  -2.194   0.271
    6    HB2  SER   2          1HB       SER   2   5.619  -0.748  -1.110
    7    HB3  SER   2          2HB       SER   2   4.920  -2.244  -1.732
    8    HG   SER   2           HG       SER   2   4.856  -0.635  -3.275
    9    HA   PRO   3           HA       PRO   3   4.569   2.343   1.550
   10    HB2  PRO   3          1HB       PRO   3   2.021   3.752   0.929
   11    HB3  PRO   3          2HB       PRO   3   3.671   4.310   0.778
   12    HG2  PRO   3          1HG       PRO   3   2.347   3.794  -1.384
   13    HG3  PRO   3          2HG       PRO   3   4.045   3.250  -1.226
   14    HD2  PRO   3          1HD       PRO   3   1.537   1.635  -0.761
   15    HD3  PRO   3          2HD       PRO   3   2.941   1.258  -1.792
   16    H    LEU   4           H        LEU   4   3.056   3.939   3.229
   17    HA   LEU   4           HA       LEU   4   2.027   2.118   5.192
   18    HB2  LEU   4          1HB       LEU   4   1.566   5.103   4.860
   19    HB3  LEU   4          2HB       LEU   4   1.193   4.150   6.314
   20    HG   LEU   4           HG       LEU   4   3.992   4.410   5.061
   21   HD11  LEU   4          1HD1      LEU   4   4.371   6.090   6.923
   22   HD12  LEU   4          2HD1      LEU   4   2.629   6.090   7.188
   23   HD13  LEU   4          3HD1      LEU   4   3.328   6.675   5.652
   24   HD21  LEU   4          1HD2      LEU   4   3.774   2.512   6.631
   25   HD22  LEU   4          2HD2      LEU   4   2.966   3.549   7.811
   26   HD23  LEU   4          3HD2      LEU   4   4.702   3.807   7.417
   27    H    PHE   5           H        PHE   5   0.648   3.812   2.529
   28    HA   PHE   5           HA       PHE   5  -2.106   3.529   3.180
   29    HB2  PHE   5          1HB       PHE   5  -0.970   5.067   1.398
   30    HB3  PHE   5          2HB       PHE   5  -0.884   3.665   0.337
   31    HD1  PHE   5           HD1      PHE   5  -3.294   5.667   2.407
   32    HD2  PHE   5           HD2      PHE   5  -2.676   3.228  -1.032
   33    HE1  PHE   5           HE1      PHE   5  -5.611   6.116   1.704
   34    HE2  PHE   5           HE2      PHE   5  -5.025   3.710  -1.850
   35    HZ   PHE   5           HZ       PHE   5  -6.542   5.176  -0.396
   36    H    ASP   6           H        ASP   6  -3.472   2.139   1.400
   37    HA   ASP   6           HA       ASP   6  -2.914  -0.624   1.925
   38    HB2  ASP   6          1HB       ASP   6  -5.025   1.031   1.020
   39    HB3  ASP   6          2HB       ASP   6  -4.715  -0.097  -0.321