*HEADER    PLANT PROTEIN                           28-APR-20   6WPV              
*TITLE     SOLUTION NMR STRUCTURE OF THE ORBITIDE XANTHOXYCYCLIN D               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: XANTHOXYCYCLIN D;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: MELICOPE XANTHOXYLOIDES;                        
*SOURCE   4 ORGANISM_TAXID: 1312821                                              
*KEYWDS    ORBITIDE, CYCLIC PLANT PEPTIDE, PLANT PROTEIN                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.J.ROSENGREN,C.D.PAYNE                                               
*REVDAT   1   26-AUG-20 6WPV    0                                                
# Restraints file 1: Xanthoxycyclin_D_Restraints.tbl
!Dihedral angles from TALOS-N

assign (resid 8     and name C    ) (resid 1     and name N    ) (resid 1     and name CA   ) (resid 1     and name C    )    1.0   80.4   44.4 2  
assign (resid 1     and name N    ) (resid 1     and name CA   ) (resid 1     and name C    ) (resid 2     and name N    )    1.0    9.8   63.5 2
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0 -131.4   34.3 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  157.0   31.4 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0  -65.6   20.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  -26.3   20.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -74.4   20.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  -19.4   20.0 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0  -63.2   20.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  -30.5   20.0 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -63.7   20.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  -23.3   20.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -95.5   39.3 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 1     and name N    )    1.0   -1.1   42.0 2

!CHI1 angle from COSY
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name CB   ) (resid 8     and name CG   )    1.0 180.0    60.0 2

!H-Bonds from Temperature Coefficients and Priliminary Calculations
assign (resid 1    and name HN   ) (resid 6    and name O )    0.00    0.00    2.30
assign (resid 1    and name N    ) (resid 6    and name O )    0.00    0.00    3.30
assign (resid 2    and name HN   ) (resid 5    and name O )    0.00    0.00    2.30
assign (resid 2    and name N    ) (resid 5    and name O )    0.00    0.00    3.30
assign (resid 5    and name HN   ) (resid 2    and name OG1 )    0.00    0.00    2.30
assign (resid 5    and name N    ) (resid 2    and name OG1 )    0.00    0.00    3.30
assign (resid 8    and name HN   ) (resid 5    and name O )    0.00    0.00    2.30
assign (resid 8    and name N    ) (resid 5    and name O )    0.00    0.00    3.30

!Inter-proton Distance Restraints from CYANA 3.98.5
assign (resid   1 and name   HN)   (resid   1 and name  HA1)   2.325    0.525    0.525  
assign (resid   1 and name   HN)   (resid   1 and name  HA2)   2.325    0.525    0.525  
assign (resid   8 and name   HN)   (resid   8 and name   HG)   3.150    1.350    1.350  
assign (resid   5 and name   HN)   (resid   5 and name   HB)   2.450    0.650    0.650  
assign (resid   5 and name   HN)   (resid   5 and name HG1#)   3.050    1.250    1.250  
assign (resid   5 and name   HN)   (resid   5 and name HG2#)   3.050    1.250    1.250  
assign (resid   3 and name   HN)   (resid   3 and name   HB)   2.545    0.745    0.745  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.935    1.135    1.135  
assign (resid   2 and name   HN)   (resid   2 and name   HB)   2.955    1.155    1.155  
assign (resid   2 and name   HN)   (resid   2 and name HG2#)   2.710    0.910    0.910  
assign (resid   2 and name   HB)   (resid   3 and name   HN)   2.335    0.535    0.535  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   3.360    1.560    1.560  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   3.360    1.560    1.560  
assign (resid   5 and name   HB)   (resid   8 and name   HN)   3.080    1.280    1.280  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.710    0.910    0.910  
assign (resid   6 and name   HN)   (resid   6 and name  HG2)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid   6 and name  HG1)   3.650    1.850    1.850  
assign (resid   5 and name HG2#)   (resid   8 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name HG2#)   (resid   4 and name   HN)   3.395    1.595    1.595  
assign (resid   2 and name HG2#)   (resid   3 and name   HN)   2.940    1.140    1.140  
assign (resid   3 and name   HN)   (resid   4 and name  HB#)   3.310    1.510    1.510  
assign (resid   1 and name   HN)   (resid   8 and name  HD#)   3.290    1.490    1.490  
assign (resid   1 and name   HN)   (resid   8 and name   HA)   2.945    1.145    1.145  
assign (resid   3 and name   HB)   (resid   4 and name   HN)   2.615    0.815    0.815  
assign (resid   2 and name   HB)   (resid   4 and name   HN)   2.695    0.895    0.895  
assign (resid   1 and name   HN)   (resid   7 and name   HA)   3.070    1.270    1.270  
assign (resid   2 and name   HB)   (resid   5 and name   HN)   3.275    1.475    1.475  
assign (resid   2 and name   HN)   (resid   5 and name   HB)   3.225    1.425    1.425  
assign (resid   2 and name   HN)   (resid   8 and name  HB1)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   8 and name  HB2)   3.650    1.850    1.850  
assign (resid   1 and name   HN)   (resid   8 and name  HB1)   3.650    1.850    1.850  
assign (resid   1 and name   HN)   (resid   8 and name  HB2)   3.650    1.850    1.850  
assign (resid   1 and name   HN)   (resid   2 and name HG2#)   3.640    1.840    1.840  
assign (resid   2 and name HG2#)   (resid   5 and name   HN)   3.310    1.510    1.510  
assign (resid   7 and name  HD#)   (resid   8 and name  HD#)   2.780    0.980    0.980  
assign (resid   5 and name HG1#)   (resid   7 and name  HD#)   3.360    1.560    1.560  
assign (resid   5 and name HG2#)   (resid   7 and name  HD#)   3.360    1.560    1.560  
assign (resid   7 and name   HZ)   (resid   8 and name  HD#)   3.115    1.315    1.315  
assign (resid   8 and name   HN)   (resid   8 and name  HD#)   3.210    1.410    1.410  
assign (resid   5 and name HG1#)   (resid   8 and name   HN)   3.650    1.850    1.850  
assign (resid   7 and name  HE#)   (resid   8 and name  HD#)   2.610    0.810    0.810  
assign (resid   5 and name HG2#)   (resid   7 and name  HE#)   3.575    1.775    1.775  
assign (resid   7 and name   HA)   (resid   7 and name  HD#)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   8 and name  HD#)   3.385    1.585    1.585  
assign (resid   5 and name HG1#)   (resid   7 and name  HE#)   3.575    1.775    1.775  
assign (resid   2 and name   HA)   (resid   2 and name HG2#)   2.745    0.945    0.945  
assign (resid   3 and name   HA)   (resid   3 and name HG1#)   2.755    0.955    0.955  
assign (resid   3 and name   HA)   (resid   3 and name HG2#)   2.755    0.955    0.955  
assign (resid   5 and name   HA)   (resid   5 and name HG1#)   2.725    0.925    0.925  
assign (resid   5 and name   HA)   (resid   5 and name HG2#)   2.725    0.925    0.925  
assign (resid   8 and name   HA)   (resid   8 and name   HG)   2.985    1.185    1.185  
assign (resid   8 and name   HA)   (resid   8 and name  HD#)   2.385    0.585    0.585  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.760    0.960    0.960  
assign (resid   1 and name   HN)   (resid   8 and name   HN)   2.795    0.995    0.995  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   2.495    0.695    0.695  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   2.840    1.040    1.040  
assign (resid   2 and name  HG1)   (resid   4 and name   HN)   2.530    0.730    0.730  
assign (resid   2 and name  HG1)   (resid   3 and name   HN)   3.225    1.425    1.425  
assign (resid   1 and name   HN)   (resid   5 and name  HG*)   3.540    1.740    1.740  
assign (resid   2 and name   HN)   (resid   5 and name  HG*)   3.620    1.820    1.820  
assign (resid   2 and name   HN)   (resid   8 and name  HB#)   3.315    1.515    1.515  
assign (resid   3 and name   HN)   (resid   3 and name  HG*)   2.835    1.035    1.035  
assign (resid   3 and name  HG*)   (resid   4 and name   HN)   3.145    1.345    1.345  
assign (resid   4 and name   HN)   (resid   5 and name  HG*)   3.330    1.530    1.530  
assign (resid   5 and name   HN)   (resid   5 and name  HG*)   2.685    0.885    0.885  
assign (resid   5 and name   HA)   (resid   5 and name  HG*)   2.320    0.520    0.520  
assign (resid   5 and name  HG*)   (resid   7 and name  HD#)   2.870    1.070    1.070  
assign (resid   5 and name  HG*)   (resid   7 and name  HE#)   2.905    1.105    1.105  
assign (resid   5 and name  HG*)   (resid   7 and name   HZ)   3.620    1.820    1.820  
assign (resid   5 and name  HG*)   (resid   8 and name   HN)   2.940    1.140    1.140  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   2.985    1.185    1.185  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.515    0.715    0.715  
assign (resid   8 and name  HB#)   (resid   8 and name   HG)   2.125    0.325    0.325  
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1   3.063  -0.143  -1.117
    2    HA2  GLY   1           HA2      GLY   1   4.020  -2.067  -1.950
    3    HA3  GLY   1           HA1      GLY   1   4.949  -2.213  -0.464
    4    H    THR   2           H        THR   2   1.621  -1.682   0.092
    5    HA   THR   2           HA       THR   2   1.298  -4.546   0.572
    6    HB   THR   2           HB       THR   2  -0.374  -3.895   2.284
    7    HG1  THR   2           HG1      THR   2  -0.562  -1.743   2.858
    8   HG21  THR   2          HG21      THR   2   2.302  -2.543   2.666
    9   HG22  THR   2          HG22      THR   2   1.949  -4.240   2.994
   10   HG23  THR   2          HG23      THR   2   1.180  -2.975   3.955
   11    H    VAL   3           H        VAL   3  -1.325  -4.903   0.688
   12    HA   VAL   3           HA       VAL   3  -2.195  -4.332  -1.998
   13    HB   VAL   3           HB       VAL   3  -3.731  -5.715   0.232
   14   HG11  VAL   3          HG11      VAL   3  -4.137  -5.782  -2.752
   15   HG12  VAL   3          HG12      VAL   3  -5.163  -4.965  -1.574
   16   HG13  VAL   3          3HG1      VAL   3  -5.044  -6.725  -1.570
   17   HG21  VAL   3          HG21      VAL   3  -3.015  -7.836  -0.777
   18   HG22  VAL   3          HG22      VAL   3  -1.646  -6.901  -0.179
   19   HG23  VAL   3          HG23      VAL   3  -1.997  -6.946  -1.907
   20    H    ALA   4           H        ALA   4  -2.955  -3.362   1.283
   21    HA   ALA   4           HA       ALA   4  -5.283  -1.867   0.575
   22    HB1  ALA   4           HB1      ALA   4  -5.228  -1.075   2.887
   23    HB2  ALA   4           HB2      ALA   4  -3.615  -1.758   3.089
   24    HB3  ALA   4           HB3      ALA   4  -4.994  -2.823   2.817
   25    H    VAL   5           H        VAL   5  -1.882  -1.098   1.176
   26    HA   VAL   5           HA       VAL   5  -2.411   1.519   0.009
   27    HB   VAL   5           HB       VAL   5  -0.314   0.902   2.119
   28   HG11  VAL   5          HG11      VAL   5   0.055   3.319   2.135
   29   HG12  VAL   5          HG12      VAL   5  -1.134   3.509   0.848
   30   HG13  VAL   5          3HG1      VAL   5   0.365   2.635   0.541
   31   HG21  VAL   5          HG21      VAL   5  -2.859   2.477   2.327
   32   HG22  VAL   5          HG22      VAL   5  -1.628   2.358   3.584
   33   HG23  VAL   5          HG23      VAL   5  -2.544   0.921   3.100
   34    H    GLN   6           H        GLN   6  -1.843   1.089  -1.973
   35    HA   GLN   6           HA       GLN   6   0.060  -0.745  -2.834
   36    HB2  GLN   6           HB2      GLN   6  -1.035   1.660  -4.248
   37    HB3  GLN   6           HB1      GLN   6  -0.070   0.416  -5.022
   38    HG2  GLN   6           HG2      GLN   6  -1.800  -1.233  -4.399
   39    HG3  GLN   6           HG1      GLN   6  -2.775   0.085  -3.753
   40   HE21  GLN   6          1HE2      GLN   6  -1.453  -1.352  -6.600
   41   HE22  GLN   6          2HE2      GLN   6  -2.465  -0.556  -7.733
   42    H    PHE   7           H        PHE   7   0.452   2.694  -2.111
   43    HA   PHE   7           HA       PHE   7   3.093   2.713  -3.225
   44    HB2  PHE   7           HB2      PHE   7   3.348   4.986  -2.446
   45    HB3  PHE   7           HB1      PHE   7   1.745   4.799  -3.129
   46    HD1  PHE   7           HD1      PHE   7  -0.132   5.484  -1.891
   47    HD2  PHE   7           HD2      PHE   7   3.581   4.928   0.109
   48    HE1  PHE   7           HE1      PHE   7  -1.053   6.518   0.136
   49    HE2  PHE   7           HE2      PHE   7   2.655   5.951   2.132
   50    HZ   PHE   7           HZ       PHE   7   0.341   6.744   2.149
   51    H    LEU   8           H        LEU   8   1.889   1.475  -0.405
   52    HA   LEU   8           HA       LEU   8   4.383   1.899   1.069
   53    HB2  LEU   8           HB2      LEU   8   2.126   2.315   2.128
   54    HB3  LEU   8           HB1      LEU   8   1.824   0.598   1.986
   55    HG   LEU   8           HG       LEU   8   3.765   0.188   3.473
   56   HD11  LEU   8          HD11      LEU   8   4.636   2.066   4.796
   57   HD12  LEU   8          HD12      LEU   8   3.702   3.186   3.801
   58   HD13  LEU   8          HD13      LEU   8   5.006   2.241   3.081
   59   HD21  LEU   8          HD21      LEU   8   1.583   1.951   4.569
   60   HD22  LEU   8          HD22      LEU   8   2.611   0.881   5.524
   61   HD23  LEU   8          HD23      LEU   8   1.490   0.205   4.341
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   2.691   0.152  -1.170
    2    HA2  GLY   1           HA2      GLY   1   3.791  -1.644  -2.130
    3    HA3  GLY   1           HA1      GLY   1   4.820  -1.722  -0.700
    4    H    THR   2           H        THR   2   1.427  -1.580  -0.397
    5    HA   THR   2           HA       THR   2   1.313  -4.435   0.245
    6    HB   THR   2           HB       THR   2  -0.359  -3.877   2.001
    7    HG1  THR   2           HG1      THR   2  -0.040  -1.382   0.904
    8   HG21  THR   2          HG21      THR   2   1.984  -4.109   2.692
    9   HG22  THR   2          HG22      THR   2   1.166  -2.882   3.662
   10   HG23  THR   2          HG23      THR   2   2.256  -2.399   2.362
   11    H    VAL   3           H        VAL   3  -1.197  -4.985   0.269
   12    HA   VAL   3           HA       VAL   3  -2.227  -4.027  -2.250
   13    HB   VAL   3           HB       VAL   3  -3.367  -6.077  -0.313
   14   HG11  VAL   3          HG11      VAL   3  -4.094  -5.522  -3.189
   15   HG12  VAL   3          HG12      VAL   3  -5.090  -5.166  -1.779
   16   HG13  VAL   3          3HG1      VAL   3  -4.730  -6.840  -2.204
   17   HG21  VAL   3          HG21      VAL   3  -1.211  -6.781  -1.157
   18   HG22  VAL   3          HG22      VAL   3  -1.727  -6.465  -2.812
   19   HG23  VAL   3          HG23      VAL   3  -2.489  -7.755  -1.886
   20    H    ALA   4           H        ALA   4  -2.612  -3.492   1.117
   21    HA   ALA   4           HA       ALA   4  -5.263  -2.379   0.992
   22    HB1  ALA   4           HB1      ALA   4  -4.411  -3.379   3.067
   23    HB2  ALA   4           HB2      ALA   4  -4.854  -1.688   3.312
   24    HB3  ALA   4           HB3      ALA   4  -3.157  -2.140   3.148
   25    H    VAL   5           H        VAL   5  -2.000  -1.160   1.131
   26    HA   VAL   5           HA       VAL   5  -2.950   1.362  -0.029
   27    HB   VAL   5           HB       VAL   5  -0.603   1.064   1.891
   28   HG11  VAL   5          HG11      VAL   5  -0.528   3.519   1.871
   29   HG12  VAL   5          HG12      VAL   5  -1.819   3.528   0.669
   30   HG13  VAL   5          3HG1      VAL   5  -0.253   2.826   0.273
   31   HG21  VAL   5          HG21      VAL   5  -2.682   0.852   3.145
   32   HG22  VAL   5          HG22      VAL   5  -3.285   2.344   2.415
   33   HG23  VAL   5          HG23      VAL   5  -1.894   2.391   3.496
   34    H    GLN   6           H        GLN   6  -2.319   1.114  -2.103
   35    HA   GLN   6           HA       GLN   6  -0.284  -0.553  -3.039
   36    HB2  GLN   6           HB2      GLN   6  -1.527   1.888  -4.310
   37    HB3  GLN   6           HB1      GLN   6  -0.427   0.809  -5.155
   38    HG2  GLN   6           HG2      GLN   6  -3.026  -0.062  -3.922
   39    HG3  GLN   6           HG1      GLN   6  -2.843   0.410  -5.610
   40   HE21  GLN   6          1HE2      GLN   6  -1.720  -0.922  -6.989
   41   HE22  GLN   6          2HE2      GLN   6  -1.365  -2.572  -6.630
   42    H    PHE   7           H        PHE   7  -0.271   2.807  -2.218
   43    HA   PHE   7           HA       PHE   7   2.302   3.556  -2.959
   44    HB2  PHE   7           HB2      PHE   7   0.943   5.338  -2.401
   45    HB3  PHE   7           HB1      PHE   7   0.279   4.533  -0.993
   46    HD1  PHE   7           HD1      PHE   7   3.231   6.354  -2.276
   47    HD2  PHE   7           HD2      PHE   7   1.189   4.821   1.116
   48    HE1  PHE   7           HE1      PHE   7   4.757   7.592  -0.788
   49    HE2  PHE   7           HE2      PHE   7   2.671   6.022   2.590
   50    HZ   PHE   7           HZ       PHE   7   4.475   7.421   1.666
   51    H    LEU   8           H        LEU   8   1.238   1.744  -0.151
   52    HA   LEU   8           HA       LEU   8   3.777   2.156   1.188
   53    HB2  LEU   8           HB2      LEU   8   1.556   2.211   2.369
   54    HB3  LEU   8           HB1      LEU   8   1.431   0.492   2.069
   55    HG   LEU   8           HG       LEU   8   3.442   0.120   3.433
   56   HD11  LEU   8          HD11      LEU   8   4.547   2.268   3.149
   57   HD12  LEU   8          HD12      LEU   8   4.275   1.956   4.860
   58   HD13  LEU   8          HD13      LEU   8   3.233   3.082   3.992
   59   HD21  LEU   8          HD21      LEU   8   1.236  -0.080   4.436
   60   HD22  LEU   8          HD22      LEU   8   1.221   1.648   4.788
   61   HD23  LEU   8          HD23      LEU   8   2.376   0.595   5.601
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   2.923   0.094  -1.196
    2    HA2  GLY   1           HA2      GLY   1   3.878  -1.840  -1.995
    3    HA3  GLY   1           HA1      GLY   1   4.870  -1.891  -0.542
    4    H    THR   2           H        THR   2   1.533  -1.570  -0.046
    5    HA   THR   2           HA       THR   2   1.420  -4.392   0.740
    6    HB   THR   2           HB       THR   2  -0.356  -3.752   2.345
    7    HG1  THR   2           HG1      THR   2  -0.169  -1.372   0.978
    8   HG21  THR   2          HG21      THR   2   1.001  -2.448   3.929
    9   HG22  THR   2          HG22      THR   2   2.111  -2.027   2.624
   10   HG23  THR   2          HG23      THR   2   1.961  -3.703   3.147
   11    H    VAL   3           H        VAL   3  -1.042  -5.082   0.761
   12    HA   VAL   3           HA       VAL   3  -1.969  -4.732  -1.938
   13    HB   VAL   3           HB       VAL   3  -3.264  -6.251   0.358
   14   HG11  VAL   3          HG11      VAL   3  -4.843  -5.763  -1.430
   15   HG12  VAL   3          HG12      VAL   3  -4.467  -7.485  -1.385
   16   HG13  VAL   3          3HG1      VAL   3  -3.736  -6.455  -2.616
   17   HG21  VAL   3          HG21      VAL   3  -1.034  -7.118  -0.105
   18   HG22  VAL   3          HG22      VAL   3  -1.434  -7.265  -1.815
   19   HG23  VAL   3          HG23      VAL   3  -2.267  -8.265  -0.627
   20    H    ALA   4           H        ALA   4  -2.705  -3.529   1.236
   21    HA   ALA   4           HA       ALA   4  -5.320  -2.506   0.558
   22    HB1  ALA   4           HB1      ALA   4  -4.812  -3.206   2.855
   23    HB2  ALA   4           HB2      ALA   4  -5.276  -1.506   2.794
   24    HB3  ALA   4           HB3      ALA   4  -3.578  -1.952   2.961
   25    H    VAL   5           H        VAL   5  -2.113  -1.251   1.016
   26    HA   VAL   5           HA       VAL   5  -2.858   1.171  -0.475
   27    HB   VAL   5           HB       VAL   5  -0.792   0.989   1.761
   28   HG11  VAL   5          HG11      VAL   5  -1.846   3.405   0.314
   29   HG12  VAL   5          HG12      VAL   5  -0.253   2.675   0.104
   30   HG13  VAL   5          3HG1      VAL   5  -0.690   3.416   1.644
   31   HG21  VAL   5          HG21      VAL   5  -3.018   0.810   2.728
   32   HG22  VAL   5          HG22      VAL   5  -3.515   2.271   1.866
   33   HG23  VAL   5          HG23      VAL   5  -2.280   2.366   3.118
   34    H    GLN   6           H        GLN   6  -1.964   0.613  -2.457
   35    HA   GLN   6           HA       GLN   6   0.339  -1.024  -2.550
   36    HB2  GLN   6           HB2      GLN   6   0.338  -0.791  -5.010
   37    HB3  GLN   6           HB1      GLN   6  -1.217  -1.267  -4.376
   38    HG2  GLN   6           HG2      GLN   6  -0.499   1.511  -5.308
   39    HG3  GLN   6           HG1      GLN   6  -1.334   0.304  -6.275
   40   HE21  GLN   6          1HE2      GLN   6  -2.239   2.894  -5.604
   41   HE22  GLN   6          2HE2      GLN   6  -3.691   2.708  -4.694
   42    H    PHE   7           H        PHE   7  -0.070   2.301  -2.373
   43    HA   PHE   7           HA       PHE   7   2.472   3.203  -3.188
   44    HB2  PHE   7           HB2      PHE   7   1.049   4.985  -2.797
   45    HB3  PHE   7           HB1      PHE   7   0.291   4.216  -1.413
   46    HD1  PHE   7           HD1      PHE   7   3.264   6.129  -2.519
   47    HD2  PHE   7           HD2      PHE   7   1.009   4.655   0.775
   48    HE1  PHE   7           HE1      PHE   7   4.595   7.510  -0.975
   49    HE2  PHE   7           HE2      PHE   7   2.314   6.015   2.311
   50    HZ   PHE   7           HZ       PHE   7   4.126   7.452   1.445
   51    H    LEU   8           H        LEU   8   1.343   1.629  -0.298
   52    HA   LEU   8           HA       LEU   8   3.823   2.119   1.148
   53    HB2  LEU   8           HB2      LEU   8   1.538   2.312   2.188
   54    HB3  LEU   8           HB1      LEU   8   1.356   0.588   1.968
   55    HG   LEU   8           HG       LEU   8   3.265   0.225   3.500
   56   HD11  LEU   8          HD11      LEU   8   4.022   2.100   4.887
   57   HD12  LEU   8          HD12      LEU   8   3.085   3.207   3.881
   58   HD13  LEU   8          HD13      LEU   8   4.439   2.314   3.190
   59   HD21  LEU   8          HD21      LEU   8   2.057   0.814   5.544
   60   HD22  LEU   8          HD22      LEU   8   0.977   0.135   4.326
   61   HD23  LEU   8          HD23      LEU   8   1.001   1.875   4.612
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1   2.476   0.023  -0.844
    2    HA2  GLY   1           HA2      GLY   1   3.768  -1.631  -1.958
    3    HA3  GLY   1           HA1      GLY   1   4.679  -1.832  -0.469
    4    H    THR   2           H        THR   2   1.384  -1.585   0.232
    5    HA   THR   2           HA       THR   2   1.247  -4.491   0.421
    6    HB   THR   2           HB       THR   2  -0.513  -4.087   2.138
    7    HG1  THR   2           HG1      THR   2  -0.761  -1.945   2.901
    8   HG21  THR   2          HG21      THR   2   1.812  -4.346   2.872
    9   HG22  THR   2          HG22      THR   2   0.961  -3.198   3.906
   10   HG23  THR   2          HG23      THR   2   2.075  -2.614   2.671
   11    H    VAL   3           H        VAL   3  -1.315  -5.083   0.396
   12    HA   VAL   3           HA       VAL   3  -2.188  -4.198  -2.200
   13    HB   VAL   3           HB       VAL   3  -3.503  -6.136  -0.252
   14   HG11  VAL   3          HG11      VAL   3  -4.168  -5.603  -3.153
   15   HG12  VAL   3          HG12      VAL   3  -5.166  -5.153  -1.772
   16   HG13  VAL   3          3HG1      VAL   3  -4.891  -6.855  -2.144
   17   HG21  VAL   3          HG21      VAL   3  -1.379  -6.955  -1.079
   18   HG22  VAL   3          HG22      VAL   3  -1.864  -6.603  -2.734
   19   HG23  VAL   3          HG23      VAL   3  -2.700  -7.858  -1.825
   20    H    ALA   4           H        ALA   4  -2.977  -3.590   1.125
   21    HA   ALA   4           HA       ALA   4  -5.418  -2.201   0.584
   22    HB1  ALA   4           HB1      ALA   4  -3.640  -2.095   3.026
   23    HB2  ALA   4           HB2      ALA   4  -4.983  -3.211   2.782
   24    HB3  ALA   4           HB3      ALA   4  -5.289  -1.480   2.925
   25    H    VAL   5           H        VAL   5  -2.041  -1.279   1.096
   26    HA   VAL   5           HA       VAL   5  -2.674   1.309  -0.094
   27    HB   VAL   5           HB       VAL   5  -0.646   0.906   2.148
   28   HG11  VAL   5          HG11      VAL   5  -0.453   3.343   2.145
   29   HG12  VAL   5          HG12      VAL   5  -1.579   3.430   0.791
   30   HG13  VAL   5          3HG1      VAL   5  -0.007   2.656   0.582
   31   HG21  VAL   5          HG21      VAL   5  -3.312   2.312   2.256
   32   HG22  VAL   5          HG22      VAL   5  -2.106   2.289   3.540
   33   HG23  VAL   5          HG23      VAL   5  -2.908   0.788   3.054
   34    H    GLN   6           H        GLN   6  -1.955   0.745  -2.060
   35    HA   GLN   6           HA       GLN   6   0.309  -0.864  -2.576
   36    HB2  GLN   6           HB2      GLN   6  -1.139   1.071  -4.390
   37    HB3  GLN   6           HB1      GLN   6   0.045  -0.113  -4.932
   38    HG2  GLN   6           HG2      GLN   6  -1.393  -1.917  -4.082
   39    HG3  GLN   6           HG1      GLN   6  -2.575  -0.720  -3.583
   40   HE21  GLN   6          1HE2      GLN   6  -2.764  -2.936  -5.431
   41   HE22  GLN   6          2HE2      GLN   6  -3.300  -2.285  -6.930
   42    H    PHE   7           H        PHE   7  -0.132   2.502  -2.142
   43    HA   PHE   7           HA       PHE   7   2.293   3.578  -2.962
   44    HB2  PHE   7           HB2      PHE   7   0.740   5.188  -2.361
   45    HB3  PHE   7           HB1      PHE   7   0.201   4.294  -0.954
   46    HD1  PHE   7           HD1      PHE   7   2.964   6.432  -2.234
   47    HD2  PHE   7           HD2      PHE   7   0.986   4.797   1.158
   48    HE1  PHE   7           HE1      PHE   7   4.289   7.886  -0.748
   49    HE2  PHE   7           HE2      PHE   7   2.280   6.219   2.638
   50    HZ   PHE   7           HZ       PHE   7   3.951   7.773   1.707
   51    H    LEU   8           H        LEU   8   1.473   1.802  -0.051
   52    HA   LEU   8           HA       LEU   8   4.106   2.289   1.077
   53    HB2  LEU   8           HB2      LEU   8   2.020   2.438   2.461
   54    HB3  LEU   8           HB1      LEU   8   1.796   0.720   2.221
   55    HG   LEU   8           HG       LEU   8   3.928   0.304   3.411
   56   HD11  LEU   8          HD11      LEU   8   3.861   3.285   3.898
   57   HD12  LEU   8          HD12      LEU   8   5.072   2.400   2.975
   58   HD13  LEU   8          HD13      LEU   8   4.929   2.144   4.712
   59   HD21  LEU   8          HD21      LEU   8   1.891   1.937   4.922
   60   HD22  LEU   8          HD22      LEU   8   3.079   0.855   5.645
   61   HD23  LEU   8          HD23      LEU   8   1.810   0.203   4.608
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1   2.524   0.098  -1.018
    2    HA2  GLY   1           HA2      GLY   1   3.602  -1.630  -2.155
    3    HA3  GLY   1           HA1      GLY   1   4.699  -1.795  -0.786
    4    H    THR   2           H        THR   2   1.383  -1.536   0.017
    5    HA   THR   2           HA       THR   2   1.341  -4.387   0.603
    6    HB   THR   2           HB       THR   2  -0.444  -3.733   2.242
    7    HG1  THR   2           HG1      THR   2  -0.836  -1.609   2.610
    8   HG21  THR   2          HG21      THR   2   1.893  -3.940   2.993
    9   HG22  THR   2          HG22      THR   2   1.058  -2.658   3.870
   10   HG23  THR   2          HG23      THR   2   2.177  -2.253   2.569
   11    H    VAL   3           H        VAL   3  -1.214  -5.025   0.706
   12    HA   VAL   3           HA       VAL   3  -2.101  -4.777  -1.998
   13    HB   VAL   3           HB       VAL   3  -3.524  -6.032   0.378
   14   HG11  VAL   3          HG11      VAL   3  -4.852  -7.250  -1.288
   15   HG12  VAL   3          HG12      VAL   3  -4.053  -6.349  -2.577
   16   HG13  VAL   3          3HG1      VAL   3  -5.080  -5.506  -1.418
   17   HG21  VAL   3          HG21      VAL   3  -2.727  -8.166  -0.489
   18   HG22  VAL   3          HG22      VAL   3  -1.372  -7.104  -0.097
   19   HG23  VAL   3          HG23      VAL   3  -1.867  -7.328  -1.775
   20    H    ALA   4           H        ALA   4  -3.102  -3.474   1.110
   21    HA   ALA   4           HA       ALA   4  -5.404  -2.177   0.015
   22    HB1  ALA   4           HB1      ALA   4  -5.360  -2.945   2.347
   23    HB2  ALA   4           HB2      ALA   4  -5.687  -1.216   2.229
   24    HB3  ALA   4           HB3      ALA   4  -4.084  -1.779   2.696
   25    H    VAL   5           H        VAL   5  -2.081  -1.274   0.727
   26    HA   VAL   5           HA       VAL   5  -2.649   1.300  -0.523
   27    HB   VAL   5           HB       VAL   5  -0.698   0.931   1.776
   28   HG11  VAL   5          HG11      VAL   5  -0.059   2.698   0.266
   29   HG12  VAL   5          HG12      VAL   5  -0.608   3.377   1.800
   30   HG13  VAL   5          3HG1      VAL   5  -1.663   3.419   0.386
   31   HG21  VAL   5          HG21      VAL   5  -2.979   0.722   2.627
   32   HG22  VAL   5          HG22      VAL   5  -3.418   2.239   1.837
   33   HG23  VAL   5          HG23      VAL   5  -2.244   2.239   3.152
   34    H    GLN   6           H        GLN   6  -1.848   0.701  -2.471
   35    HA   GLN   6           HA       GLN   6   0.480  -0.722  -3.003
   36    HB2  GLN   6           HB2      GLN   6  -1.005   1.319  -4.654
   37    HB3  GLN   6           HB1      GLN   6   0.423   0.508  -5.255
   38    HG2  GLN   6           HG2      GLN   6  -1.336  -0.690  -6.184
   39    HG3  GLN   6           HG1      GLN   6  -0.862  -1.672  -4.811
   40   HE21  GLN   6          1HE2      GLN   6  -3.314  -1.557  -6.304
   41   HE22  GLN   6          2HE2      GLN   6  -4.586  -1.229  -5.180
   42    H    PHE   7           H        PHE   7  -0.024   2.627  -2.342
   43    HA   PHE   7           HA       PHE   7   2.472   3.717  -2.917
   44    HB2  PHE   7           HB2      PHE   7   0.914   5.325  -2.324
   45    HB3  PHE   7           HB1      PHE   7   0.273   4.380  -0.995
   46    HD1  PHE   7           HD1      PHE   7   1.002   4.731   1.194
   47    HD2  PHE   7           HD2      PHE   7   3.130   6.521  -2.024
   48    HE1  PHE   7           HE1      PHE   7   2.285   6.032   2.799
   49    HE2  PHE   7           HE2      PHE   7   4.439   7.847  -0.412
   50    HZ   PHE   7           HZ       PHE   7   4.018   7.593   2.016
   51    H    LEU   8           H        LEU   8   1.461   1.765  -0.189
   52    HA   LEU   8           HA       LEU   8   4.019   2.171   1.149
   53    HB2  LEU   8           HB2      LEU   8   1.832   2.236   2.381
   54    HB3  LEU   8           HB1      LEU   8   1.643   0.534   2.020
   55    HG   LEU   8           HG       LEU   8   3.720   0.079   3.298
   56   HD11  LEU   8          HD11      LEU   8   4.823   2.208   3.109
   57   HD12  LEU   8          HD12      LEU   8   4.539   1.872   4.820
   58   HD13  LEU   8          HD13      LEU   8   3.507   3.007   3.955
   59   HD21  LEU   8          HD21      LEU   8   1.532   1.516   4.791
   60   HD22  LEU   8          HD22      LEU   8   2.705   0.408   5.503
   61   HD23  LEU   8          HD23      LEU   8   1.530  -0.186   4.331
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1   2.656   0.005  -1.201
    2    HA2  GLY   1           HA2      GLY   1   3.553  -1.956  -2.020
    3    HA3  GLY   1           HA1      GLY   1   4.747  -1.891  -0.726
    4    H    THR   2           H        THR   2   1.264  -1.903  -0.488
    5    HA   THR   2           HA       THR   2   1.349  -4.581   0.650
    6    HB   THR   2           HB       THR   2  -0.316  -3.843   2.384
    7    HG1  THR   2           HG1      THR   2  -0.054  -1.515   1.008
    8   HG21  THR   2          HG21      THR   2   1.290  -2.740   3.900
    9   HG22  THR   2          HG22      THR   2   2.347  -2.411   2.528
   10   HG23  THR   2          HG23      THR   2   2.042  -4.075   3.024
   11    H    VAL   3           H        VAL   3  -1.076  -5.287   0.893
   12    HA   VAL   3           HA       VAL   3  -2.313  -4.874  -1.663
   13    HB   VAL   3           HB       VAL   3  -3.339  -6.449   0.735
   14   HG11  VAL   3          HG11      VAL   3  -4.179  -6.563  -2.159
   15   HG12  VAL   3          HG12      VAL   3  -5.128  -5.918  -0.819
   16   HG13  VAL   3          3HG1      VAL   3  -4.745  -7.638  -0.881
   17   HG21  VAL   3          HG21      VAL   3  -2.495  -8.436  -0.425
   18   HG22  VAL   3          HG22      VAL   3  -1.194  -7.315  -0.029
   19   HG23  VAL   3          HG23      VAL   3  -1.806  -7.408  -1.679
   20    H    ALA   4           H        ALA   4  -2.606  -3.597   1.520
   21    HA   ALA   4           HA       ALA   4  -5.299  -2.587   1.104
   22    HB1  ALA   4           HB1      ALA   4  -5.111  -1.654   3.345
   23    HB2  ALA   4           HB2      ALA   4  -3.397  -2.071   3.388
   24    HB3  ALA   4           HB3      ALA   4  -4.614  -3.346   3.336
   25    H    VAL   5           H        VAL   5  -2.042  -1.302   1.306
   26    HA   VAL   5           HA       VAL   5  -3.012   1.117  -0.047
   27    HB   VAL   5           HB       VAL   5  -0.630   0.976   1.842
   28   HG11  VAL   5          HG11      VAL   5  -1.918   3.354   0.503
   29   HG12  VAL   5          HG12      VAL   5  -0.363   2.637   0.088
   30   HG13  VAL   5          3HG1      VAL   5  -0.578   3.420   1.649
   31   HG21  VAL   5          HG21      VAL   5  -3.317   2.253   2.320
   32   HG22  VAL   5          HG22      VAL   5  -1.917   2.367   3.387
   33   HG23  VAL   5          HG23      VAL   5  -2.703   0.806   3.123
   34    H    GLN   6           H        GLN   6  -2.435   0.797  -2.076
   35    HA   GLN   6           HA       GLN   6  -0.437  -0.781  -3.145
   36    HB2  GLN   6           HB2      GLN   6  -2.245   0.163  -4.465
   37    HB3  GLN   6           HB1      GLN   6  -1.653   1.787  -4.178
   38    HG2  GLN   6           HG2      GLN   6   0.360   1.261  -5.463
   39    HG3  GLN   6           HG1      GLN   6  -0.282  -0.352  -5.782
   40   HE21  GLN   6          1HE2      GLN   6  -0.667   3.037  -6.382
   41   HE22  GLN   6          2HE2      GLN   6  -1.677   2.899  -7.764
   42    H    PHE   7           H        PHE   7  -0.360   2.645  -2.401
   43    HA   PHE   7           HA       PHE   7   2.192   3.377  -3.119
   44    HB2  PHE   7           HB2      PHE   7   0.816   5.147  -2.555
   45    HB3  PHE   7           HB1      PHE   7   0.195   4.347  -1.126
   46    HD1  PHE   7           HD1      PHE   7   1.165   4.663   0.972
   47    HD2  PHE   7           HD2      PHE   7   3.030   6.293  -2.487
   48    HE1  PHE   7           HE1      PHE   7   2.609   5.985   2.403
   49    HE2  PHE   7           HE2      PHE   7   4.501   7.641  -1.041
   50    HZ   PHE   7           HZ       PHE   7   4.284   7.474   1.423
   51    H    LEU   8           H        LEU   8   1.201   1.668  -0.205
   52    HA   LEU   8           HA       LEU   8   3.814   2.094   1.000
   53    HB2  LEU   8           HB2      LEU   8   1.698   2.353   2.312
   54    HB3  LEU   8           HB1      LEU   8   1.421   0.636   2.112
   55    HG   LEU   8           HG       LEU   8   3.471   0.165   3.393
   56   HD11  LEU   8          HD11      LEU   8   4.542   1.980   4.661
   57   HD12  LEU   8          HD12      LEU   8   3.556   3.155   3.790
   58   HD13  LEU   8          HD13      LEU   8   4.737   2.175   2.922
   59   HD21  LEU   8          HD21      LEU   8   1.319   0.219   4.528
   60   HD22  LEU   8          HD22      LEU   8   1.483   1.955   4.792
   61   HD23  LEU   8          HD23      LEU   8   2.589   0.833   5.585
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1   2.706   0.169  -1.140
    2    HA2  GLY   1           HA2      GLY   1   3.849  -1.608  -2.119
    3    HA3  GLY   1           HA1      GLY   1   4.682  -1.864  -0.596
    4    H    THR   2           H        THR   2   1.491  -1.590   0.203
    5    HA   THR   2           HA       THR   2   1.291  -4.496   0.332
    6    HB   THR   2           HB       THR   2  -0.462  -4.053   2.034
    7    HG1  THR   2           HG1      THR   2  -0.517  -1.806   2.783
    8   HG21  THR   2          HG21      THR   2   1.010  -3.171   3.791
    9   HG22  THR   2          HG22      THR   2   2.120  -2.572   2.560
   10   HG23  THR   2          HG23      THR   2   1.878  -4.308   2.757
   11    H    VAL   3           H        VAL   3  -1.254  -5.043   0.418
   12    HA   VAL   3           HA       VAL   3  -2.319  -4.243  -2.134
   13    HB   VAL   3           HB       VAL   3  -3.544  -6.042  -0.009
   14   HG11  VAL   3          HG11      VAL   3  -4.256  -5.708  -2.923
   15   HG12  VAL   3          HG12      VAL   3  -5.226  -5.182  -1.547
   16   HG13  VAL   3          3HG1      VAL   3  -4.954  -6.902  -1.833
   17   HG21  VAL   3          HG21      VAL   3  -1.418  -6.934  -0.823
   18   HG22  VAL   3          HG22      VAL   3  -1.997  -6.797  -2.485
   19   HG23  VAL   3          HG23      VAL   3  -2.778  -7.914  -1.370
   20    H    ALA   4           H        ALA   4  -2.825  -3.576   1.260
   21    HA   ALA   4           HA       ALA   4  -5.323  -2.238   0.941
   22    HB1  ALA   4           HB1      ALA   4  -3.315  -2.056   3.189
   23    HB2  ALA   4           HB2      ALA   4  -4.642  -3.213   3.090
   24    HB3  ALA   4           HB3      ALA   4  -4.983  -1.490   3.247
   25    H    VAL   5           H        VAL   5  -1.944  -1.242   1.033
   26    HA   VAL   5           HA       VAL   5  -2.733   1.325  -0.110
   27    HB   VAL   5           HB       VAL   5  -0.538   1.015   1.967
   28   HG11  VAL   5          HG11      VAL   5  -0.130   2.796   0.429
   29   HG12  VAL   5          HG12      VAL   5  -0.548   3.469   2.009
   30   HG13  VAL   5          3HG1      VAL   5  -1.739   3.463   0.707
   31   HG21  VAL   5          HG21      VAL   5  -1.942   2.264   3.539
   32   HG22  VAL   5          HG22      VAL   5  -2.679   0.720   3.100
   33   HG23  VAL   5          HG23      VAL   5  -3.275   2.220   2.385
   34    H    GLN   6           H        GLN   6  -1.971   0.903  -2.147
   35    HA   GLN   6           HA       GLN   6   0.286  -0.752  -2.598
   36    HB2  GLN   6           HB2      GLN   6  -1.097   1.134  -4.504
   37    HB3  GLN   6           HB1      GLN   6   0.133  -0.034  -4.970
   38    HG2  GLN   6           HG2      GLN   6  -1.364  -1.826  -4.045
   39    HG3  GLN   6           HG1      GLN   6  -2.608  -0.590  -3.881
   40   HE21  GLN   6          1HE2      GLN   6  -3.931  -1.641  -5.341
   41   HE22  GLN   6          2HE2      GLN   6  -3.620  -1.643  -7.031
   42    H    PHE   7           H        PHE   7  -0.122   2.600  -2.181
   43    HA   PHE   7           HA       PHE   7   2.331   3.654  -2.918
   44    HB2  PHE   7           HB2      PHE   7   0.764   5.244  -2.288
   45    HB3  PHE   7           HB1      PHE   7   0.224   4.325  -0.899
   46    HD1  PHE   7           HD1      PHE   7   2.874   6.556  -2.163
   47    HD2  PHE   7           HD2      PHE   7   1.132   4.695   1.234
   48    HE1  PHE   7           HE1      PHE   7   4.203   7.990  -0.689
   49    HE2  PHE   7           HE2      PHE   7   2.454   6.116   2.713
   50    HZ   PHE   7           HZ       PHE   7   3.994   7.767   1.770
   51    H    LEU   8           H        LEU   8   1.425   1.731  -0.149
   52    HA   LEU   8           HA       LEU   8   4.025   2.146   1.103
   53    HB2  LEU   8           HB2      LEU   8   1.854   2.422   2.361
   54    HB3  LEU   8           HB1      LEU   8   1.604   0.703   2.162
   55    HG   LEU   8           HG       LEU   8   3.634   0.269   3.492
   56   HD11  LEU   8          HD11      LEU   8   3.648   3.268   3.840
   57   HD12  LEU   8          HD12      LEU   8   4.882   2.301   3.032
   58   HD13  LEU   8          HD13      LEU   8   4.627   2.134   4.767
   59   HD21  LEU   8          HD21      LEU   8   1.443   0.311   4.555
   60   HD22  LEU   8          HD22      LEU   8   1.589   2.050   4.807
   61   HD23  LEU   8          HD23      LEU   8   2.676   0.944   5.645
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1   2.427   0.202  -1.308
    2    HA2  GLY   1           HA2      GLY   1   3.151  -1.648  -2.436
    3    HA3  GLY   1           HA1      GLY   1   4.464  -1.799  -1.273
    4    H    THR   2           H        THR   2   1.099  -1.639  -0.299
    5    HA   THR   2           HA       THR   2   1.269  -4.456   0.435
    6    HB   THR   2           HB       THR   2  -0.234  -3.895   2.345
    7    HG1  THR   2           HG1      THR   2  -0.349  -1.633   2.888
    8   HG21  THR   2          HG21      THR   2   1.451  -2.769   3.735
    9   HG22  THR   2          HG22      THR   2   2.334  -2.304   2.280
   10   HG23  THR   2          HG23      THR   2   2.183  -4.007   2.714
   11    H    VAL   3           H        VAL   3  -1.101  -5.271   0.865
   12    HA   VAL   3           HA       VAL   3  -2.585  -4.929  -1.560
   13    HB   VAL   3           HB       VAL   3  -3.523  -6.271   1.010
   14   HG11  VAL   3          HG11      VAL   3  -4.423  -6.659  -1.834
   15   HG12  VAL   3          HG12      VAL   3  -5.323  -5.845  -0.557
   16   HG13  VAL   3          3HG1      VAL   3  -4.997  -7.576  -0.441
   17   HG21  VAL   3          HG21      VAL   3  -2.745  -8.387   0.061
   18   HG22  VAL   3          HG22      VAL   3  -1.405  -7.263   0.288
   19   HG23  VAL   3          HG23      VAL   3  -2.074  -7.526  -1.321
   20    H    ALA   4           H        ALA   4  -2.649  -3.605   1.626
   21    HA   ALA   4           HA       ALA   4  -5.265  -2.446   1.410
   22    HB1  ALA   4           HB1      ALA   4  -3.094  -1.907   3.424
   23    HB2  ALA   4           HB2      ALA   4  -4.352  -3.131   3.578
   24    HB3  ALA   4           HB3      ALA   4  -4.783  -1.421   3.558
   25    H    VAL   5           H        VAL   5  -1.926  -1.299   1.073
   26    HA   VAL   5           HA       VAL   5  -2.958   1.149  -0.157
   27    HB   VAL   5           HB       VAL   5  -0.622   1.081   1.785
   28   HG11  VAL   5          HG11      VAL   5  -0.729   3.527   1.671
   29   HG12  VAL   5          HG12      VAL   5  -1.995   3.398   0.446
   30   HG13  VAL   5          3HG1      VAL   5  -0.376   2.773   0.119
   31   HG21  VAL   5          HG21      VAL   5  -2.011   2.368   3.352
   32   HG22  VAL   5          HG22      VAL   5  -2.681   0.765   3.047
   33   HG23  VAL   5          HG23      VAL   5  -3.391   2.181   2.271
   34    H    GLN   6           H        GLN   6  -2.205   1.005  -2.209
   35    HA   GLN   6           HA       GLN   6  -0.034  -0.649  -2.966
   36    HB2  GLN   6           HB2      GLN   6  -1.924  -0.100  -4.478
   37    HB3  GLN   6           HB1      GLN   6  -1.382   1.569  -4.525
   38    HG2  GLN   6           HG2      GLN   6   0.668   0.910  -5.613
   39    HG3  GLN   6           HG1      GLN   6   0.209  -0.785  -5.497
   40   HE21  GLN   6          1HE2      GLN   6   0.815   0.849  -7.788
   41   HE22  GLN   6          2HE2      GLN   6  -0.552   0.769  -8.838
   42    H    PHE   7           H        PHE   7  -0.346   2.692  -2.172
   43    HA   PHE   7           HA       PHE   7   2.142   3.678  -2.931
   44    HB2  PHE   7           HB2      PHE   7   0.700   5.358  -2.261
   45    HB3  PHE   7           HB1      PHE   7   0.095   4.460  -0.884
   46    HD1  PHE   7           HD1      PHE   7   0.910   4.880   1.250
   47    HD2  PHE   7           HD2      PHE   7   3.063   6.333  -2.120
   48    HE1  PHE   7           HE1      PHE   7   2.388   6.127   2.750
   49    HE2  PHE   7           HE2      PHE   7   4.548   7.586  -0.619
   50    HZ   PHE   7           HZ       PHE   7   4.207   7.474   1.831
   51    H    LEU   8           H        LEU   8   1.229   1.708  -0.194
   52    HA   LEU   8           HA       LEU   8   3.869   2.036   0.996
   53    HB2  LEU   8           HB2      LEU   8   1.722   2.166   2.334
   54    HB3  LEU   8           HB1      LEU   8   1.506   0.461   2.011
   55    HG   LEU   8           HG       LEU   8   3.616  -0.002   3.227
   56   HD11  LEU   8          HD11      LEU   8   4.578   1.763   4.631
   57   HD12  LEU   8          HD12      LEU   8   3.488   2.938   3.893
   58   HD13  LEU   8          HD13      LEU   8   4.718   2.145   2.918
   59   HD21  LEU   8          HD21      LEU   8   2.705   0.435   5.459
   60   HD22  LEU   8          HD22      LEU   8   1.486  -0.190   4.350
   61   HD23  LEU   8          HD23      LEU   8   1.515   1.529   4.750
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1   3.031   0.209  -1.216
    2    HA2  GLY   1           HA2      GLY   1   3.835  -1.731  -2.107
    3    HA3  GLY   1           HA1      GLY   1   4.898  -1.860  -0.715
    4    H    THR   2           H        THR   2   1.449  -1.659  -0.336
    5    HA   THR   2           HA       THR   2   1.374  -4.540   0.259
    6    HB   THR   2           HB       THR   2  -0.303  -4.051   2.033
    7    HG1  THR   2           HG1      THR   2  -0.059  -1.551   1.005
    8   HG21  THR   2          HG21      THR   2   2.047  -4.353   2.665
    9   HG22  THR   2          HG22      THR   2   1.259  -3.181   3.719
   10   HG23  THR   2          HG23      THR   2   2.328  -2.629   2.428
   11    H    VAL   3           H        VAL   3  -1.220  -5.014   0.552
   12    HA   VAL   3           HA       VAL   3  -2.276  -4.428  -2.062
   13    HB   VAL   3           HB       VAL   3  -3.475  -6.065   0.197
   14   HG11  VAL   3          HG11      VAL   3  -4.878  -7.078  -1.557
   15   HG12  VAL   3          HG12      VAL   3  -4.214  -5.938  -2.727
   16   HG13  VAL   3          3HG1      VAL   3  -5.182  -5.350  -1.377
   17   HG21  VAL   3          HG21      VAL   3  -1.366  -7.002  -0.517
   18   HG22  VAL   3          HG22      VAL   3  -1.869  -6.905  -2.201
   19   HG23  VAL   3          HG23      VAL   3  -2.689  -8.015  -1.106
   20    H    ALA   4           H        ALA   4  -2.796  -3.464   1.247
   21    HA   ALA   4           HA       ALA   4  -5.363  -2.246   0.726
   22    HB1  ALA   4           HB1      ALA   4  -5.206  -1.419   3.035
   23    HB2  ALA   4           HB2      ALA   4  -3.537  -1.982   3.124
   24    HB3  ALA   4           HB3      ALA   4  -4.852  -3.145   2.955
   25    H    VAL   5           H        VAL   5  -2.073  -1.248   1.158
   26    HA   VAL   5           HA       VAL   5  -2.749   1.317  -0.092
   27    HB   VAL   5           HB       VAL   5  -0.594   0.877   2.020
   28   HG11  VAL   5          HG11      VAL   5  -0.340   3.304   1.994
   29   HG12  VAL   5          HG12      VAL   5  -1.543   3.416   0.714
   30   HG13  VAL   5          3HG1      VAL   5  -0.005   2.605   0.408
   31   HG21  VAL   5          HG21      VAL   5  -1.926   2.296   3.484
   32   HG22  VAL   5          HG22      VAL   5  -2.804   0.823   3.048
   33   HG23  VAL   5          HG23      VAL   5  -3.205   2.359   2.273
   34    H    GLN   6           H        GLN   6  -2.014   1.000  -2.107
   35    HA   GLN   6           HA       GLN   6   0.121  -0.776  -2.725
   36    HB2  GLN   6           HB2      GLN   6  -1.174   1.349  -4.441
   37    HB3  GLN   6           HB1      GLN   6  -0.017   0.166  -5.035
   38    HG2  GLN   6           HG2      GLN   6  -1.576  -1.633  -4.322
   39    HG3  GLN   6           HG1      GLN   6  -2.746  -0.390  -3.897
   40   HE21  GLN   6          1HE2      GLN   6  -1.998   1.295  -6.218
   41   HE22  GLN   6          2HE2      GLN   6  -2.676   0.494  -7.575
   42    H    PHE   7           H        PHE   7  -0.128   2.585  -2.138
   43    HA   PHE   7           HA       PHE   7   2.385   3.517  -2.909
   44    HB2  PHE   7           HB2      PHE   7   0.865   5.199  -2.401
   45    HB3  PHE   7           HB1      PHE   7   0.263   4.371  -0.980
   46    HD1  PHE   7           HD1      PHE   7   2.983   6.517  -2.279
   47    HD2  PHE   7           HD2      PHE   7   1.173   4.763   1.149
   48    HE1  PHE   7           HE1      PHE   7   4.328   7.975  -0.811
   49    HE2  PHE   7           HE2      PHE   7   2.486   6.186   2.609
   50    HZ   PHE   7           HZ       PHE   7   4.083   7.806   1.649
   51    H    LEU   8           H        LEU   8   1.436   1.569  -0.203
   52    HA   LEU   8           HA       LEU   8   3.996   2.054   1.134
   53    HB2  LEU   8           HB2      LEU   8   1.760   2.343   2.321
   54    HB3  LEU   8           HB1      LEU   8   1.585   0.606   2.210
   55    HG   LEU   8           HG       LEU   8   3.631   0.346   3.563
   56   HD11  LEU   8          HD11      LEU   8   4.491   2.305   4.779
   57   HD12  LEU   8          HD12      LEU   8   3.428   3.350   3.833
   58   HD13  LEU   8          HD13      LEU   8   4.723   2.462   3.041
   59   HD21  LEU   8          HD21      LEU   8   1.443   0.265   4.613
   60   HD22  LEU   8          HD22      LEU   8   1.445   2.020   4.790
   61   HD23  LEU   8          HD23      LEU   8   2.607   1.043   5.686
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   2.764   0.029  -1.041
    2    HA2  GLY   1           HA2      GLY   1   3.892  -1.799  -1.883
    3    HA3  GLY   1           HA1      GLY   1   4.841  -1.855  -0.404
    4    H    THR   2           H        THR   2   1.468  -1.636   0.133
    5    HA   THR   2           HA       THR   2   1.399  -4.507   0.675
    6    HB   THR   2           HB       THR   2  -0.271  -3.994   2.420
    7    HG1  THR   2           HG1      THR   2  -0.531  -1.755   2.972
    8   HG21  THR   2          HG21      THR   2   1.182  -2.816   4.006
    9   HG22  THR   2          HG22      THR   2   2.212  -2.294   2.675
   10   HG23  THR   2          HG23      THR   2   2.091  -4.006   3.077
   11    H    VAL   3           H        VAL   3  -1.088  -5.167   0.740
   12    HA   VAL   3           HA       VAL   3  -2.080  -4.554  -1.884
   13    HB   VAL   3           HB       VAL   3  -3.341  -6.300   0.265
   14   HG11  VAL   3          HG11      VAL   3  -4.969  -5.592  -1.415
   15   HG12  VAL   3          HG12      VAL   3  -4.611  -7.311  -1.581
   16   HG13  VAL   3          3HG1      VAL   3  -3.899  -6.152  -2.701
   17   HG21  VAL   3          HG21      VAL   3  -2.401  -8.192  -0.977
   18   HG22  VAL   3          HG22      VAL   3  -1.136  -7.112  -0.383
   19   HG23  VAL   3          HG23      VAL   3  -1.608  -7.066  -2.079
   20    H    ALA   4           H        ALA   4  -2.776  -3.594   1.406
   21    HA   ALA   4           HA       ALA   4  -5.336  -2.443   0.755
   22    HB1  ALA   4           HB1      ALA   4  -5.257  -1.512   3.025
   23    HB2  ALA   4           HB2      ALA   4  -3.577  -2.020   3.177
   24    HB3  ALA   4           HB3      ALA   4  -4.853  -3.228   3.034
   25    H    VAL   5           H        VAL   5  -2.033  -1.327   1.181
   26    HA   VAL   5           HA       VAL   5  -2.779   1.184  -0.105
   27    HB   VAL   5           HB       VAL   5  -0.593   0.858   1.984
   28   HG11  VAL   5          HG11      VAL   5  -0.162   2.641   0.401
   29   HG12  VAL   5          HG12      VAL   5  -0.508   3.296   2.002
   30   HG13  VAL   5          3HG1      VAL   5  -1.740   3.350   0.747
   31   HG21  VAL   5          HG21      VAL   5  -2.710   0.618   3.136
   32   HG22  VAL   5          HG22      VAL   5  -3.327   2.070   2.347
   33   HG23  VAL   5          HG23      VAL   5  -2.001   2.196   3.506
   34    H    GLN   6           H        GLN   6  -2.118   0.545  -2.110
   35    HA   GLN   6           HA       GLN   6   0.081  -1.110  -2.644
   36    HB2  GLN   6           HB2      GLN   6  -0.150  -0.418  -4.998
   37    HB3  GLN   6           HB1      GLN   6  -1.694  -0.850  -4.284
   38    HG2  GLN   6           HG2      GLN   6  -2.190   1.550  -4.013
   39    HG3  GLN   6           HG1      GLN   6  -0.664   1.930  -4.811
   40   HE21  GLN   6          1HE2      GLN   6  -3.864   0.713  -5.191
   41   HE22  GLN   6          2HE2      GLN   6  -3.880   0.736  -6.918
   42    H    PHE   7           H        PHE   7  -0.186   2.286  -2.255
   43    HA   PHE   7           HA       PHE   7   2.334   3.117  -3.170
   44    HB2  PHE   7           HB2      PHE   7   0.946   4.919  -2.822
   45    HB3  PHE   7           HB1      PHE   7   0.203   4.203  -1.404
   46    HD1  PHE   7           HD1      PHE   7   0.801   4.873   0.712
   47    HD2  PHE   7           HD2      PHE   7   3.304   5.903  -2.569
   48    HE1  PHE   7           HE1      PHE   7   2.114   6.279   2.188
   49    HE2  PHE   7           HE2      PHE   7   4.647   7.334  -1.082
   50    HZ   PHE   7           HZ       PHE   7   4.061   7.525   1.295
   51    H    LEU   8           H        LEU   8   1.323   1.624  -0.188
   52    HA   LEU   8           HA       LEU   8   3.846   2.176   1.163
   53    HB2  LEU   8           HB2      LEU   8   1.587   2.337   2.278
   54    HB3  LEU   8           HB1      LEU   8   1.458   0.602   2.104
   55    HG   LEU   8           HG       LEU   8   3.431   0.340   3.575
   56   HD11  LEU   8          HD11      LEU   8   4.168   2.274   4.891
   57   HD12  LEU   8          HD12      LEU   8   3.158   3.326   3.898
   58   HD13  LEU   8          HD13      LEU   8   4.517   2.467   3.176
   59   HD21  LEU   8          HD21      LEU   8   2.262   0.945   5.646
   60   HD22  LEU   8          HD22      LEU   8   1.178   0.185   4.481
   61   HD23  LEU   8          HD23      LEU   8   1.137   1.933   4.715
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1   2.626   0.012  -1.013
    2    HA2  GLY   1           HA2      GLY   1   3.651  -1.834  -2.018
    3    HA3  GLY   1           HA1      GLY   1   4.685  -1.979  -0.606
    4    H    THR   2           H        THR   2   1.351  -1.608   0.117
    5    HA   THR   2           HA       THR   2   1.253  -4.452   0.753
    6    HB   THR   2           HB       THR   2  -0.589  -3.812   2.295
    7    HG1  THR   2           HG1      THR   2  -0.997  -1.635   2.638
    8   HG21  THR   2          HG21      THR   2   1.717  -3.839   3.150
    9   HG22  THR   2          HG22      THR   2   0.752  -2.592   3.941
   10   HG23  THR   2          HG23      THR   2   1.901  -2.151   2.679
   11    H    VAL   3           H        VAL   3  -1.232  -5.159   0.714
   12    HA   VAL   3           HA       VAL   3  -2.024  -4.984  -2.008
   13    HB   VAL   3           HB       VAL   3  -3.649  -6.050   0.317
   14   HG11  VAL   3          HG11      VAL   3  -4.760  -7.430  -1.400
   15   HG12  VAL   3          HG12      VAL   3  -3.822  -6.608  -2.645
   16   HG13  VAL   3          3HG1      VAL   3  -4.986  -5.703  -1.680
   17   HG21  VAL   3          HG21      VAL   3  -1.485  -7.150   0.246
   18   HG22  VAL   3          HG22      VAL   3  -1.695  -7.481  -1.472
   19   HG23  VAL   3          HG23      VAL   3  -2.753  -8.253  -0.290
   20    H    ALA   4           H        ALA   4  -3.137  -3.494   0.981
   21    HA   ALA   4           HA       ALA   4  -5.358  -2.227  -0.349
   22    HB1  ALA   4           HB1      ALA   4  -5.822  -1.176   1.801
   23    HB2  ALA   4           HB2      ALA   4  -4.282  -1.758   2.430
   24    HB3  ALA   4           HB3      ALA   4  -5.548  -2.907   2.001
   25    H    VAL   5           H        VAL   5  -2.137  -1.269   0.777
   26    HA   VAL   5           HA       VAL   5  -2.598   1.327  -0.476
   27    HB   VAL   5           HB       VAL   5  -0.646   0.746   1.773
   28   HG11  VAL   5          HG11      VAL   5  -0.433   3.172   1.924
   29   HG12  VAL   5          HG12      VAL   5  -1.515   3.352   0.543
   30   HG13  VAL   5          3HG1      VAL   5   0.052   2.566   0.341
   31   HG21  VAL   5          HG21      VAL   5  -2.120   2.057   3.216
   32   HG22  VAL   5          HG22      VAL   5  -2.919   0.592   2.631
   33   HG23  VAL   5          HG23      VAL   5  -3.305   2.160   1.915
   34    H    GLN   6           H        GLN   6  -1.882   0.831  -2.454
   35    HA   GLN   6           HA       GLN   6   0.339  -0.716  -3.130
   36    HB2  GLN   6           HB2      GLN   6  -0.947   1.585  -4.595
   37    HB3  GLN   6           HB1      GLN   6   0.310   0.581  -5.286
   38    HG2  GLN   6           HG2      GLN   6  -1.830  -0.101  -6.151
   39    HG3  GLN   6           HG1      GLN   6  -1.216  -1.371  -5.104
   40   HE21  GLN   6          1HE2      GLN   6  -3.275  -2.190  -4.847
   41   HE22  GLN   6          2HE2      GLN   6  -4.455  -1.428  -3.851
   42    H    PHE   7           H        PHE   7   0.003   2.638  -2.351
   43    HA   PHE   7           HA       PHE   7   2.466   3.720  -2.933
   44    HB2  PHE   7           HB2      PHE   7   0.844   5.228  -2.301
   45    HB3  PHE   7           HB1      PHE   7   0.302   4.256  -0.952
   46    HD1  PHE   7           HD1      PHE   7   1.121   4.604   1.197
   47    HD2  PHE   7           HD2      PHE   7   2.926   6.605  -2.081
   48    HE1  PHE   7           HE1      PHE   7   2.313   6.017   2.759
   49    HE2  PHE   7           HE2      PHE   7   4.159   8.051  -0.505
   50    HZ   PHE   7           HZ       PHE   7   3.857   7.762   1.915
   51    H    LEU   8           H        LEU   8   1.579   1.685  -0.193
   52    HA   LEU   8           HA       LEU   8   4.227   2.118   0.965
   53    HB2  LEU   8           HB2      LEU   8   2.196   2.535   2.347
   54    HB3  LEU   8           HB1      LEU   8   1.781   0.845   2.190
   55    HG   LEU   8           HG       LEU   8   3.785   0.228   3.461
   56   HD11  LEU   8          HD11      LEU   8   5.252   2.076   2.839
   57   HD12  LEU   8          HD12      LEU   8   5.097   1.974   4.593
   58   HD13  LEU   8          HD13      LEU   8   4.209   3.207   3.700
   59   HD21  LEU   8          HD21      LEU   8   3.060   1.110   5.620
   60   HD22  LEU   8          HD22      LEU   8   1.687   0.612   4.629
   61   HD23  LEU   8          HD23      LEU   8   2.083   2.323   4.795
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1   2.829   0.338  -1.374
    2    HA2  GLY   1           HA2      GLY   1   3.465  -1.594  -2.417
    3    HA3  GLY   1           HA1      GLY   1   4.700  -1.768  -1.177
    4    H    THR   2           H        THR   2   1.260  -1.571  -0.621
    5    HA   THR   2           HA       THR   2   1.352  -4.355   0.278
    6    HB   THR   2           HB       THR   2  -0.265  -3.770   2.060
    7    HG1  THR   2           HG1      THR   2  -0.081  -1.305   0.808
    8   HG21  THR   2          HG21      THR   2   2.259  -2.101   2.164
    9   HG22  THR   2          HG22      THR   2   2.125  -3.796   2.630
   10   HG23  THR   2          HG23      THR   2   1.277  -2.557   3.556
   11    H    VAL   3           H        VAL   3  -1.107  -5.028   0.637
   12    HA   VAL   3           HA       VAL   3  -2.326  -4.807  -1.938
   13    HB   VAL   3           HB       VAL   3  -3.382  -6.105   0.594
   14   HG11  VAL   3          HG11      VAL   3  -4.783  -7.446  -0.907
   15   HG12  VAL   3          HG12      VAL   3  -4.190  -6.514  -2.282
   16   HG13  VAL   3          3HG1      VAL   3  -5.144  -5.723  -1.027
   17   HG21  VAL   3          HG21      VAL   3  -2.542  -8.214  -0.346
   18   HG22  VAL   3          HG22      VAL   3  -1.244  -7.067  -0.021
   19   HG23  VAL   3          HG23      VAL   3  -1.803  -7.317  -1.673
   20    H    ALA   4           H        ALA   4  -2.687  -3.344   1.185
   21    HA   ALA   4           HA       ALA   4  -5.342  -2.330   0.607
   22    HB1  ALA   4           HB1      ALA   4  -3.540  -1.832   2.971
   23    HB2  ALA   4           HB2      ALA   4  -4.811  -3.052   2.875
   24    HB3  ALA   4           HB3      ALA   4  -5.227  -1.340   2.842
   25    H    VAL   5           H        VAL   5  -2.072  -1.137   0.931
   26    HA   VAL   5           HA       VAL   5  -2.908   1.383  -0.335
   27    HB   VAL   5           HB       VAL   5  -0.669   1.031   1.692
   28   HG11  VAL   5          HG11      VAL   5  -0.213   2.800   0.122
   29   HG12  VAL   5          HG12      VAL   5  -0.563   3.476   1.713
   30   HG13  VAL   5          3HG1      VAL   5  -1.786   3.528   0.443
   31   HG21  VAL   5          HG21      VAL   5  -2.042   2.348   3.247
   32   HG22  VAL   5          HG22      VAL   5  -2.808   0.815   2.827
   33   HG23  VAL   5          HG23      VAL   5  -3.371   2.314   2.088
   34    H    GLN   6           H        GLN   6  -2.102   1.335  -2.356
   35    HA   GLN   6           HA       GLN   6  -0.053  -0.401  -3.261
   36    HB2  GLN   6           HB2      GLN   6  -1.001   2.174  -4.542
   37    HB3  GLN   6           HB1      GLN   6  -0.048   0.932  -5.326
   38    HG2  GLN   6           HG2      GLN   6  -2.886   0.678  -4.367
   39    HG3  GLN   6           HG1      GLN   6  -2.348   0.816  -6.032
   40   HE21  GLN   6          1HE2      GLN   6  -2.751  -1.277  -3.344
   41   HE22  GLN   6          2HE2      GLN   6  -2.322  -2.748  -4.146
   42    H    PHE   7           H        PHE   7  -0.118   2.933  -2.292
   43    HA   PHE   7           HA       PHE   7   2.459   3.774  -2.846
   44    HB2  PHE   7           HB2      PHE   7   1.046   5.469  -2.213
   45    HB3  PHE   7           HB1      PHE   7   0.344   4.560  -0.889
   46    HD1  PHE   7           HD1      PHE   7   1.191   4.746   1.287
   47    HD2  PHE   7           HD2      PHE   7   3.261   6.577  -1.943
   48    HE1  PHE   7           HE1      PHE   7   2.563   5.963   2.883
   49    HE2  PHE   7           HE2      PHE   7   4.656   7.817  -0.339
   50    HZ   PHE   7           HZ       PHE   7   4.302   7.497   2.094
   51    H    LEU   8           H        LEU   8   1.349   1.764  -0.206
   52    HA   LEU   8           HA       LEU   8   3.939   2.012   1.105
   53    HB2  LEU   8           HB2      LEU   8   1.762   2.235   2.362
   54    HB3  LEU   8           HB1      LEU   8   1.473   0.543   2.030
   55    HG   LEU   8           HG       LEU   8   3.496  -0.034   3.326
   56   HD11  LEU   8          HD11      LEU   8   3.551   2.919   3.946
   57   HD12  LEU   8          HD12      LEU   8   4.765   2.014   3.047
   58   HD13  LEU   8          HD13      LEU   8   4.514   1.688   4.759
   59   HD21  LEU   8          HD21      LEU   8   1.301  -0.063   4.388
   60   HD22  LEU   8          HD22      LEU   8   1.464   1.647   4.792
   61   HD23  LEU   8          HD23      LEU   8   2.539   0.460   5.530
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1   2.349   0.170  -1.138
    2    HA2  GLY   1           HA2      GLY   1   3.345  -1.558  -2.341
    3    HA3  GLY   1           HA1      GLY   1   4.508  -1.751  -1.037
    4    H    THR   2           H        THR   2   1.126  -1.513  -0.248
    5    HA   THR   2           HA       THR   2   1.140  -4.388   0.199
    6    HB   THR   2           HB       THR   2  -0.469  -3.979   2.047
    7    HG1  THR   2           HG1      THR   2  -0.647  -1.773   2.793
    8   HG21  THR   2          HG21      THR   2   1.091  -2.987   3.666
    9   HG22  THR   2          HG22      THR   2   2.087  -2.396   2.335
   10   HG23  THR   2          HG23      THR   2   1.909  -4.130   2.600
   11    H    VAL   3           H        VAL   3  -1.251  -5.180   0.282
   12    HA   VAL   3           HA       VAL   3  -2.466  -4.510  -2.207
   13    HB   VAL   3           HB       VAL   3  -3.592  -6.147   0.098
   14   HG11  VAL   3          HG11      VAL   3  -5.026  -7.209  -1.571
   15   HG12  VAL   3          HG12      VAL   3  -4.379  -6.141  -2.812
   16   HG13  VAL   3          3HG1      VAL   3  -5.326  -5.472  -1.483
   17   HG21  VAL   3          HG21      VAL   3  -2.795  -8.112  -1.127
   18   HG22  VAL   3          HG22      VAL   3  -1.468  -7.054  -0.649
   19   HG23  VAL   3          HG23      VAL   3  -2.038  -7.055  -2.317
   20    H    ALA   4           H        ALA   4  -2.826  -3.524   1.076
   21    HA   ALA   4           HA       ALA   4  -5.381  -2.263   0.711
   22    HB1  ALA   4           HB1      ALA   4  -4.746  -3.199   2.870
   23    HB2  ALA   4           HB2      ALA   4  -5.081  -1.469   2.988
   24    HB3  ALA   4           HB3      ALA   4  -3.415  -2.047   2.971
   25    H    VAL   5           H        VAL   5  -1.994  -1.239   0.875
   26    HA   VAL   5           HA       VAL   5  -2.805   1.378  -0.157
   27    HB   VAL   5           HB       VAL   5  -0.591   0.922   1.884
   28   HG11  VAL   5          HG11      VAL   5  -0.459   3.354   2.013
   29   HG12  VAL   5          HG12      VAL   5  -1.698   3.489   0.769
   30   HG13  VAL   5          3HG1      VAL   5  -0.133   2.772   0.379
   31   HG21  VAL   5          HG21      VAL   5  -3.281   2.215   2.300
   32   HG22  VAL   5          HG22      VAL   5  -1.963   2.192   3.468
   33   HG23  VAL   5          HG23      VAL   5  -2.745   0.680   2.990
   34    H    GLN   6           H        GLN   6  -2.095   1.164  -2.203
   35    HA   GLN   6           HA       GLN   6   0.086  -0.441  -3.007
   36    HB2  GLN   6           HB2      GLN   6  -1.352   1.778  -4.464
   37    HB3  GLN   6           HB1      GLN   6  -0.162   0.713  -5.204
   38    HG2  GLN   6           HG2      GLN   6  -2.749  -0.174  -3.950
   39    HG3  GLN   6           HG1      GLN   6  -2.452   0.010  -5.680
   40   HE21  GLN   6          1HE2      GLN   6  -3.176  -2.364  -4.119
   41   HE22  GLN   6          2HE2      GLN   6  -1.944  -3.518  -4.438
   42    H    PHE   7           H        PHE   7  -0.227   2.903  -2.188
   43    HA   PHE   7           HA       PHE   7   2.251   3.904  -2.942
   44    HB2  PHE   7           HB2      PHE   7   0.815   5.556  -2.200
   45    HB3  PHE   7           HB1      PHE   7   0.220   4.591  -0.863
   46    HD1  PHE   7           HD1      PHE   7   3.116   6.636  -1.995
   47    HD2  PHE   7           HD2      PHE   7   1.055   4.867   1.280
   48    HE1  PHE   7           HE1      PHE   7   4.552   7.872  -0.415
   49    HE2  PHE   7           HE2      PHE   7   2.460   6.075   2.853
   50    HZ   PHE   7           HZ       PHE   7   4.226   7.584   2.026
   51    H    LEU   8           H        LEU   8   1.398   1.894  -0.221
   52    HA   LEU   8           HA       LEU   8   4.050   2.203   0.962
   53    HB2  LEU   8           HB2      LEU   8   1.968   2.333   2.349
   54    HB3  LEU   8           HB1      LEU   8   1.662   0.656   1.966
   55    HG   LEU   8           HG       LEU   8   3.760   0.038   3.129
   56   HD11  LEU   8          HD11      LEU   8   3.820   2.963   3.881
   57   HD12  LEU   8          HD12      LEU   8   4.999   2.112   2.886
   58   HD13  LEU   8          HD13      LEU   8   4.830   1.707   4.592
   59   HD21  LEU   8          HD21      LEU   8   1.782   1.626   4.764
   60   HD22  LEU   8          HD22      LEU   8   2.904   0.422   5.396
   61   HD23  LEU   8          HD23      LEU   8   1.620  -0.066   4.291
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1   3.419  -0.044  -1.259
    2    HA2  GLY   1           HA2      GLY   1   3.995  -2.107  -2.020
    3    HA3  GLY   1           HA1      GLY   1   5.046  -2.251  -0.620
    4    H    THR   2           H        THR   2   1.545  -1.812  -0.541
    5    HA   THR   2           HA       THR   2   1.301  -4.588   0.325
    6    HB   THR   2           HB       THR   2  -0.290  -3.947   2.108
    7    HG1  THR   2           HG1      THR   2   0.141  -1.457   1.000
    8   HG21  THR   2          HG21      THR   2   1.281  -2.943   3.716
    9   HG22  THR   2          HG22      THR   2   2.342  -2.483   2.384
   10   HG23  THR   2          HG23      THR   2   2.072  -4.186   2.744
   11    H    VAL   3           H        VAL   3  -1.301  -4.914   0.592
   12    HA   VAL   3           HA       VAL   3  -2.381  -4.252  -2.005
   13    HB   VAL   3           HB       VAL   3  -3.623  -5.870   0.255
   14   HG11  VAL   3          HG11      VAL   3  -5.086  -6.807  -1.474
   15   HG12  VAL   3          HG12      VAL   3  -4.371  -5.716  -2.661
   16   HG13  VAL   3          3HG1      VAL   3  -5.292  -5.065  -1.308
   17   HG21  VAL   3          HG21      VAL   3  -2.928  -7.862  -1.003
   18   HG22  VAL   3          HG22      VAL   3  -1.545  -6.899  -0.486
   19   HG23  VAL   3          HG23      VAL   3  -2.089  -6.829  -2.161
   20    H    ALA   4           H        ALA   4  -2.649  -3.282   1.305
   21    HA   ALA   4           HA       ALA   4  -5.212  -1.977   0.998
   22    HB1  ALA   4           HB1      ALA   4  -3.201  -1.808   3.248
   23    HB2  ALA   4           HB2      ALA   4  -4.563  -2.927   3.166
   24    HB3  ALA   4           HB3      ALA   4  -4.852  -1.191   3.295
   25    H    VAL   5           H        VAL   5  -1.850  -1.075   1.207
   26    HA   VAL   5           HA       VAL   5  -2.512   1.470  -0.072
   27    HB   VAL   5           HB       VAL   5  -0.350   1.076   2.034
   28   HG11  VAL   5          HG11      VAL   5  -0.051   3.500   1.868
   29   HG12  VAL   5          HG12      VAL   5  -1.247   3.550   0.574
   30   HG13  VAL   5          3HG1      VAL   5   0.273   2.691   0.335
   31   HG21  VAL   5          HG21      VAL   5  -2.571   1.128   3.063
   32   HG22  VAL   5          HG22      VAL   5  -2.925   2.637   2.216
   33   HG23  VAL   5          HG23      VAL   5  -1.661   2.592   3.442
   34    H    GLN   6           H        GLN   6  -1.685   1.336  -2.057
   35    HA   GLN   6           HA       GLN   6   0.171  -0.672  -2.770
   36    HB2  GLN   6           HB2      GLN   6  -0.831   1.647  -4.427
   37    HB3  GLN   6           HB1      GLN   6   0.096   0.286  -5.037
   38    HG2  GLN   6           HG2      GLN   6  -1.658  -1.243  -4.409
   39    HG3  GLN   6           HG1      GLN   6  -2.582   0.077  -3.702
   40   HE21  GLN   6          1HE2      GLN   6  -0.806   0.332  -6.753
   41   HE22  GLN   6          2HE2      GLN   6  -2.217   0.472  -7.718
   42    H    PHE   7           H        PHE   7   0.574   2.810  -2.239
   43    HA   PHE   7           HA       PHE   7   3.282   2.755  -3.166
   44    HB2  PHE   7           HB2      PHE   7   3.549   5.025  -2.337
   45    HB3  PHE   7           HB1      PHE   7   2.003   4.892  -3.144
   46    HD1  PHE   7           HD1      PHE   7   0.009   5.505  -2.002
   47    HD2  PHE   7           HD2      PHE   7   3.629   5.044   0.191
   48    HE1  PHE   7           HE1      PHE   7  -1.045   6.534  -0.033
   49    HE2  PHE   7           HE2      PHE   7   2.578   6.059   2.159
   50    HZ   PHE   7           HZ       PHE   7   0.249   6.803   2.060
   51    H    LEU   8           H        LEU   8   1.951   1.451  -0.499
   52    HA   LEU   8           HA       LEU   8   4.353   1.791   1.147
   53    HB2  LEU   8           HB2      LEU   8   2.026   2.301   2.046
   54    HB3  LEU   8           HB1      LEU   8   1.698   0.590   1.904
   55    HG   LEU   8           HG       LEU   8   3.527   0.154   3.526
   56   HD11  LEU   8          HD11      LEU   8   4.349   2.038   4.877
   57   HD12  LEU   8          HD12      LEU   8   3.507   3.158   3.805
   58   HD13  LEU   8          HD13      LEU   8   4.836   2.179   3.189
   59   HD21  LEU   8          HD21      LEU   8   1.199   0.239   4.241
   60   HD22  LEU   8          HD22      LEU   8   1.317   1.986   4.452
   61   HD23  LEU   8          HD23      LEU   8   2.254   0.907   5.487
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1   2.862   0.188  -1.288
    2    HA2  GLY   1           HA2      GLY   1   3.798  -1.674  -2.225
    3    HA3  GLY   1           HA1      GLY   1   4.839  -1.826  -0.812
    4    H    THR   2           H        THR   2   1.422  -1.550  -0.491
    5    HA   THR   2           HA       THR   2   1.258  -4.400   0.186
    6    HB   THR   2           HB       THR   2  -0.360  -3.804   1.982
    7    HG1  THR   2           HG1      THR   2  -0.098  -1.372   0.813
    8   HG21  THR   2          HG21      THR   2   1.211  -2.797   3.590
    9   HG22  THR   2          HG22      THR   2   2.284  -2.369   2.256
   10   HG23  THR   2          HG23      THR   2   1.972  -4.064   2.632
   11    H    VAL   3           H        VAL   3  -1.175  -5.022   0.195
   12    HA   VAL   3           HA       VAL   3  -2.325  -4.038  -2.264
   13    HB   VAL   3           HB       VAL   3  -3.369  -6.133  -0.317
   14   HG11  VAL   3          HG11      VAL   3  -4.838  -6.872  -2.118
   15   HG12  VAL   3          HG12      VAL   3  -4.241  -5.572  -3.146
   16   HG13  VAL   3          3HG1      VAL   3  -5.169  -5.189  -1.697
   17   HG21  VAL   3          HG21      VAL   3  -1.256  -6.791  -1.303
   18   HG22  VAL   3          HG22      VAL   3  -1.880  -6.446  -2.915
   19   HG23  VAL   3          HG23      VAL   3  -2.569  -7.764  -1.969
   20    H    ALA   4           H        ALA   4  -2.655  -3.486   1.102
   21    HA   ALA   4           HA       ALA   4  -5.307  -2.375   1.005
   22    HB1  ALA   4           HB1      ALA   4  -4.863  -1.650   3.315
   23    HB2  ALA   4           HB2      ALA   4  -3.173  -2.123   3.134
   24    HB3  ALA   4           HB3      ALA   4  -4.440  -3.346   3.083
   25    H    VAL   5           H        VAL   5  -2.038  -1.159   1.053
   26    HA   VAL   5           HA       VAL   5  -2.981   1.320  -0.192
   27    HB   VAL   5           HB       VAL   5  -0.753   1.187   1.887
   28   HG11  VAL   5          HG11      VAL   5  -0.748   3.639   1.740
   29   HG12  VAL   5          HG12      VAL   5  -1.939   3.547   0.440
   30   HG13  VAL   5          3HG1      VAL   5  -0.329   2.859   0.215
   31   HG21  VAL   5          HG21      VAL   5  -2.183   2.535   3.350
   32   HG22  VAL   5          HG22      VAL   5  -2.941   0.982   2.983
   33   HG23  VAL   5          HG23      VAL   5  -3.486   2.446   2.166
   34    H    GLN   6           H        GLN   6  -2.230   1.042  -2.223
   35    HA   GLN   6           HA       GLN   6  -0.130  -0.634  -3.004
   36    HB2  GLN   6           HB2      GLN   6  -1.196   1.811  -4.435
   37    HB3  GLN   6           HB1      GLN   6  -0.135   0.620  -5.156
   38    HG2  GLN   6           HG2      GLN   6  -2.952   0.172  -4.206
   39    HG3  GLN   6           HG1      GLN   6  -2.404   0.277  -5.876
   40   HE21  GLN   6          1HE2      GLN   6  -1.092  -1.438  -6.693
   41   HE22  GLN   6          2HE2      GLN   6  -1.161  -2.999  -5.969
   42    H    PHE   7           H        PHE   7  -0.181   2.781  -2.369
   43    HA   PHE   7           HA       PHE   7   2.362   3.614  -2.950
   44    HB2  PHE   7           HB2      PHE   7   0.933   5.308  -2.370
   45    HB3  PHE   7           HB1      PHE   7   0.262   4.440  -1.006
   46    HD1  PHE   7           HD1      PHE   7   3.187   6.400  -2.149
   47    HD2  PHE   7           HD2      PHE   7   1.055   4.799   1.159
   48    HE1  PHE   7           HE1      PHE   7   4.572   7.725  -0.601
   49    HE2  PHE   7           HE2      PHE   7   2.424   6.112   2.698
   50    HZ   PHE   7           HZ       PHE   7   4.185   7.572   1.826
   51    H    LEU   8           H        LEU   8   1.369   1.678  -0.212
   52    HA   LEU   8           HA       LEU   8   3.949   2.094   1.078
   53    HB2  LEU   8           HB2      LEU   8   1.807   2.304   2.350
   54    HB3  LEU   8           HB1      LEU   8   1.527   0.600   2.076
   55    HG   LEU   8           HG       LEU   8   3.515   0.053   3.399
   56   HD11  LEU   8          HD11      LEU   8   4.614   1.845   4.707
   57   HD12  LEU   8          HD12      LEU   8   3.707   3.040   3.768
   58   HD13  LEU   8          HD13      LEU   8   4.873   1.992   2.973
   59   HD21  LEU   8          HD21      LEU   8   1.587   1.914   4.784
   60   HD22  LEU   8          HD22      LEU   8   2.629   0.735   5.580
   61   HD23  LEU   8          HD23      LEU   8   1.348   0.190   4.496
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1   2.362   0.037  -1.040
    2    HA2  GLY   1           HA2      GLY   1   3.468  -1.695  -2.189
    3    HA3  GLY   1           HA1      GLY   1   4.494  -1.903  -0.773
    4    H    THR   2           H        THR   2   1.374  -1.557   0.305
    5    HA   THR   2           HA       THR   2   1.257  -4.433   0.598
    6    HB   THR   2           HB       THR   2  -0.278  -4.019   2.466
    7    HG1  THR   2           HG1      THR   2  -0.738  -1.931   3.107
    8   HG21  THR   2          HG21      THR   2   1.271  -2.879   3.989
    9   HG22  THR   2          HG22      THR   2   2.175  -2.268   2.605
   10   HG23  THR   2          HG23      THR   2   2.123  -4.000   2.926
   11    H    VAL   3           H        VAL   3  -1.238  -5.130   0.804
   12    HA   VAL   3           HA       VAL   3  -2.314  -4.650  -1.799
   13    HB   VAL   3           HB       VAL   3  -3.661  -6.060   0.523
   14   HG11  VAL   3          HG11      VAL   3  -4.079  -6.305  -2.451
   15   HG12  VAL   3          HG12      VAL   3  -5.167  -5.531  -1.301
   16   HG13  VAL   3          3HG1      VAL   3  -4.888  -7.269  -1.216
   17   HG21  VAL   3          HG21      VAL   3  -1.827  -7.211  -1.573
   18   HG22  VAL   3          HG22      VAL   3  -2.767  -8.143  -0.408
   19   HG23  VAL   3          HG23      VAL   3  -1.490  -7.065   0.153
   20    H    ALA   4           H        ALA   4  -3.010  -3.657   1.472
   21    HA   ALA   4           HA       ALA   4  -5.448  -2.308   0.846
   22    HB1  ALA   4           HB1      ALA   4  -5.333  -1.463   3.120
   23    HB2  ALA   4           HB2      ALA   4  -3.661  -2.005   3.250
   24    HB3  ALA   4           HB3      ALA   4  -4.957  -3.188   3.093
   25    H    VAL   5           H        VAL   5  -2.058  -1.358   1.246
   26    HA   VAL   5           HA       VAL   5  -2.791   1.211   0.073
   27    HB   VAL   5           HB       VAL   5  -0.553   0.828   2.091
   28   HG11  VAL   5          HG11      VAL   5  -1.735   3.327   0.903
   29   HG12  VAL   5          HG12      VAL   5  -0.153   2.633   0.544
   30   HG13  VAL   5          3HG1      VAL   5  -0.491   3.274   2.153
   31   HG21  VAL   5          HG21      VAL   5  -3.265   2.070   2.555
   32   HG22  VAL   5          HG22      VAL   5  -1.912   2.112   3.681
   33   HG23  VAL   5          HG23      VAL   5  -2.668   0.567   3.270
   34    H    GLN   6           H        GLN   6  -2.255   0.563  -1.947
   35    HA   GLN   6           HA       GLN   6  -0.033  -0.897  -2.794
   36    HB2  GLN   6           HB2      GLN   6  -1.998  -0.416  -4.201
   37    HB3  GLN   6           HB1      GLN   6  -1.541   1.276  -4.266
   38    HG2  GLN   6           HG2      GLN   6   0.477   0.689  -5.498
   39    HG3  GLN   6           HG1      GLN   6   0.045  -1.017  -5.398
   40   HE21  GLN   6          1HE2      GLN   6   0.416   0.740  -7.728
   41   HE22  GLN   6          2HE2      GLN   6  -1.049   0.623  -8.620
   42    H    PHE   7           H        PHE   7  -0.418   2.482  -2.100
   43    HA   PHE   7           HA       PHE   7   1.985   3.552  -3.006
   44    HB2  PHE   7           HB2      PHE   7   0.496   5.167  -2.283
   45    HB3  PHE   7           HB1      PHE   7   0.021   4.257  -0.863
   46    HD1  PHE   7           HD1      PHE   7   0.971   4.691   1.212
   47    HD2  PHE   7           HD2      PHE   7   2.739   6.376  -2.274
   48    HE1  PHE   7           HE1      PHE   7   2.399   6.051   2.629
   49    HE2  PHE   7           HE2      PHE   7   4.198   7.767  -0.852
   50    HZ   PHE   7           HZ       PHE   7   4.033   7.600   1.615
   51    H    LEU   8           H        LEU   8   1.323   1.718  -0.084
   52    HA   LEU   8           HA       LEU   8   4.028   2.161   0.909
   53    HB2  LEU   8           HB2      LEU   8   2.026   2.343   2.404
   54    HB3  LEU   8           HB1      LEU   8   1.739   0.637   2.153
   55    HG   LEU   8           HG       LEU   8   3.927   0.149   3.223
   56   HD11  LEU   8          HD11      LEU   8   3.933   3.112   3.795
   57   HD12  LEU   8          HD12      LEU   8   5.077   2.237   2.779
   58   HD13  LEU   8          HD13      LEU   8   5.025   1.930   4.514
   59   HD21  LEU   8          HD21      LEU   8   3.189   0.642   5.508
   60   HD22  LEU   8          HD22      LEU   8   1.858   0.054   4.512
   61   HD23  LEU   8          HD23      LEU   8   1.994   1.774   4.876
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1   2.324   0.054  -1.164
    2    HA2  GLY   1           HA2      GLY   1   3.193  -1.759  -2.314
    3    HA3  GLY   1           HA1      GLY   1   4.452  -1.886  -1.092
    4    H    THR   2           H        THR   2   1.188  -1.622   0.021
    5    HA   THR   2           HA       THR   2   1.286  -4.452   0.731
    6    HB   THR   2           HB       THR   2  -0.387  -3.850   2.488
    7    HG1  THR   2           HG1      THR   2  -0.531  -1.534   2.939
    8   HG21  THR   2          HG21      THR   2   1.147  -2.653   3.982
    9   HG22  THR   2          HG22      THR   2   2.142  -2.207   2.598
   10   HG23  THR   2          HG23      THR   2   1.992  -3.901   3.066
   11    H    VAL   3           H        VAL   3  -1.289  -5.070   1.160
   12    HA   VAL   3           HA       VAL   3  -2.409  -4.986  -1.501
   13    HB   VAL   3           HB       VAL   3  -3.492  -6.333   1.005
   14   HG11  VAL   3          HG11      VAL   3  -5.180  -6.071  -0.720
   15   HG12  VAL   3          HG12      VAL   3  -4.728  -7.767  -0.528
   16   HG13  VAL   3          3HG1      VAL   3  -4.114  -6.843  -1.894
   17   HG21  VAL   3          HG21      VAL   3  -1.274  -7.164   0.520
   18   HG22  VAL   3          HG22      VAL   3  -1.727  -7.470  -1.156
   19   HG23  VAL   3          HG23      VAL   3  -2.475  -8.400   0.143
   20    H    ALA   4           H        ALA   4  -2.793  -3.455   1.544
   21    HA   ALA   4           HA       ALA   4  -5.408  -2.374   0.891
   22    HB1  ALA   4           HB1      ALA   4  -3.637  -1.860   3.275
   23    HB2  ALA   4           HB2      ALA   4  -4.933  -3.054   3.198
   24    HB3  ALA   4           HB3      ALA   4  -5.308  -1.333   3.090
   25    H    VAL   5           H        VAL   5  -2.050  -1.271   1.184
   26    HA   VAL   5           HA       VAL   5  -2.893   1.229  -0.081
   27    HB   VAL   5           HB       VAL   5  -0.687   0.889   1.990
   28   HG11  VAL   5          HG11      VAL   5  -0.161   2.610   0.353
   29   HG12  VAL   5          HG12      VAL   5  -0.497   3.310   1.938
   30   HG13  VAL   5          3HG1      VAL   5  -1.714   3.390   0.665
   31   HG21  VAL   5          HG21      VAL   5  -2.866   0.774   3.051
   32   HG22  VAL   5          HG22      VAL   5  -3.364   2.249   2.221
   33   HG23  VAL   5          HG23      VAL   5  -2.083   2.313   3.429
   34    H    GLN   6           H        GLN   6  -2.258   0.970  -2.119
   35    HA   GLN   6           HA       GLN   6  -0.120  -0.637  -3.005
   36    HB2  GLN   6           HB2      GLN   6  -2.064   0.054  -4.413
   37    HB3  GLN   6           HB1      GLN   6  -1.414   1.684  -4.456
   38    HG2  GLN   6           HG2      GLN   6   0.543   0.910  -5.649
   39    HG3  GLN   6           HG1      GLN   6  -0.018  -0.756  -5.535
   40   HE21  GLN   6          1HE2      GLN   6   0.578   0.788  -7.899
   41   HE22  GLN   6          2HE2      GLN   6  -0.869   0.826  -8.836
   42    H    PHE   7           H        PHE   7  -0.362   2.709  -2.161
   43    HA   PHE   7           HA       PHE   7   2.074   3.755  -2.971
   44    HB2  PHE   7           HB2      PHE   7   0.604   5.348  -2.156
   45    HB3  PHE   7           HB1      PHE   7   0.111   4.362  -0.797
   46    HD1  PHE   7           HD1      PHE   7   2.705   6.679  -2.047
   47    HD2  PHE   7           HD2      PHE   7   1.199   4.523   1.299
   48    HE1  PHE   7           HE1      PHE   7   4.147   7.995  -0.535
   49    HE2  PHE   7           HE2      PHE   7   2.619   5.812   2.800
   50    HZ   PHE   7           HZ       PHE   7   4.105   7.548   1.904
   51    H    LEU   8           H        LEU   8   1.335   1.746  -0.206
   52    HA   LEU   8           HA       LEU   8   4.040   2.088   0.849
   53    HB2  LEU   8           HB2      LEU   8   2.044   2.278   2.331
   54    HB3  LEU   8           HB1      LEU   8   1.691   0.596   2.010
   55    HG   LEU   8           HG       LEU   8   3.847  -0.022   3.072
   56   HD11  LEU   8          HD11      LEU   8   5.078   2.037   2.712
   57   HD12  LEU   8          HD12      LEU   8   5.006   1.671   4.434
   58   HD13  LEU   8          HD13      LEU   8   3.959   2.913   3.751
   59   HD21  LEU   8          HD21      LEU   8   3.107   0.402   5.356
   60   HD22  LEU   8          HD22      LEU   8   1.755  -0.068   4.326
   61   HD23  LEU   8          HD23      LEU   8   1.981   1.624   4.771
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1   2.697  -0.264  -0.853
    2    HA2  GLY   1           HA2      GLY   1   3.973  -2.033  -1.826
    3    HA3  GLY   1           HA1      GLY   1   4.881  -2.108  -0.319
    4    H    THR   2           H        THR   2   1.510  -1.675   0.104
    5    HA   THR   2           HA       THR   2   1.233  -4.536   0.572
    6    HB   THR   2           HB       THR   2  -0.482  -3.953   2.259
    7    HG1  THR   2           HG1      THR   2  -0.596  -1.742   2.933
    8   HG21  THR   2          HG21      THR   2   2.158  -2.562   2.701
    9   HG22  THR   2          HG22      THR   2   1.785  -4.252   3.058
   10   HG23  THR   2          HG23      THR   2   1.003  -2.964   3.968
   11    H    VAL   3           H        VAL   3  -1.419  -4.864   0.609
   12    HA   VAL   3           HA       VAL   3  -2.165  -4.176  -2.098
   13    HB   VAL   3           HB       VAL   3  -3.686  -5.791  -0.016
   14   HG11  VAL   3          HG11      VAL   3  -4.975  -6.673  -1.903
   15   HG12  VAL   3          HG12      VAL   3  -4.099  -5.606  -2.999
   16   HG13  VAL   3          3HG1      VAL   3  -5.156  -4.923  -1.762
   17   HG21  VAL   3          HG21      VAL   3  -2.892  -7.772  -1.234
   18   HG22  VAL   3          HG22      VAL   3  -1.562  -6.842  -0.542
   19   HG23  VAL   3          HG23      VAL   3  -1.915  -6.728  -2.266
   20    H    ALA   4           H        ALA   4  -2.889  -3.312   1.173
   21    HA   ALA   4           HA       ALA   4  -5.284  -1.865   0.571
   22    HB1  ALA   4           HB1      ALA   4  -5.180  -1.121   2.896
   23    HB2  ALA   4           HB2      ALA   4  -3.552  -1.784   3.039
   24    HB3  ALA   4           HB3      ALA   4  -4.924  -2.862   2.781
   25    H    VAL   5           H        VAL   5  -1.897  -1.072   1.114
   26    HA   VAL   5           HA       VAL   5  -2.431   1.573   0.006
   27    HB   VAL   5           HB       VAL   5  -0.361   0.928   2.147
   28   HG11  VAL   5          HG11      VAL   5   0.322   2.711   0.627
   29   HG12  VAL   5          HG12      VAL   5  -0.018   3.342   2.239
   30   HG13  VAL   5          3HG1      VAL   5  -1.189   3.563   0.942
   31   HG21  VAL   5          HG21      VAL   5  -2.919   2.487   2.374
   32   HG22  VAL   5          HG22      VAL   5  -1.705   2.307   3.641
   33   HG23  VAL   5          HG23      VAL   5  -2.615   0.897   3.081
   34    H    GLN   6           H        GLN   6  -1.698   1.343  -1.955
   35    HA   GLN   6           HA       GLN   6   0.167  -0.670  -2.595
   36    HB2  GLN   6           HB2      GLN   6  -0.946   1.477  -4.387
   37    HB3  GLN   6           HB1      GLN   6  -0.090   0.034  -4.917
   38    HG2  GLN   6           HG2      GLN   6  -1.863  -1.338  -3.830
   39    HG3  GLN   6           HG1      GLN   6  -2.741   0.150  -3.507
   40   HE21  GLN   6          1HE2      GLN   6  -1.764  -2.129  -5.881
   41   HE22  GLN   6          2HE2      GLN   6  -2.798  -1.558  -7.135
   42    H    PHE   7           H        PHE   7   0.467   2.822  -2.235
   43    HA   PHE   7           HA       PHE   7   3.105   2.875  -3.313
   44    HB2  PHE   7           HB2      PHE   7   3.347   5.136  -2.503
   45    HB3  PHE   7           HB1      PHE   7   1.713   4.959  -3.103
   46    HD1  PHE   7           HD1      PHE   7  -0.138   5.448  -1.686
   47    HD2  PHE   7           HD2      PHE   7   3.764   5.157   0.003
   48    HE1  PHE   7           HE1      PHE   7  -0.959   6.436   0.411
   49    HE2  PHE   7           HE2      PHE   7   2.941   6.130   2.089
   50    HZ   PHE   7           HZ       PHE   7   0.582   6.772   2.303
   51    H    LEU   8           H        LEU   8   1.886   1.758  -0.426
   52    HA   LEU   8           HA       LEU   8   4.310   2.108   1.116
   53    HB2  LEU   8           HB2      LEU   8   2.014   2.202   2.088
   54    HB3  LEU   8           HB1      LEU   8   1.835   0.503   1.712
   55    HG   LEU   8           HG       LEU   8   3.748   0.037   3.232
   56   HD11  LEU   8          HD11      LEU   8   4.385   1.791   4.813
   57   HD12  LEU   8          HD12      LEU   8   3.403   2.946   3.904
   58   HD13  LEU   8          HD13      LEU   8   4.813   2.209   3.154
   59   HD21  LEU   8          HD21      LEU   8   2.453   0.348   5.281
   60   HD22  LEU   8          HD22      LEU   8   1.436  -0.232   3.961
   61   HD23  LEU   8          HD23      LEU   8   1.382   1.467   4.437
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1   2.352   0.321  -1.512
    2    HA2  GLY   1           HA2      GLY   1   2.844  -1.522  -2.772
    3    HA3  GLY   1           HA1      GLY   1   4.248  -1.778  -1.745
    4    H    THR   2           H        THR   2   1.037  -1.561  -0.379
    5    HA   THR   2           HA       THR   2   1.228  -4.401   0.251
    6    HB   THR   2           HB       THR   2  -0.160  -3.855   2.227
    7    HG1  THR   2           HG1      THR   2  -0.440  -1.630   2.736
    8   HG21  THR   2          HG21      THR   2   2.291  -3.839   2.427
    9   HG22  THR   2          HG22      THR   2   1.549  -2.670   3.513
   10   HG23  THR   2          HG23      THR   2   2.309  -2.126   2.015
   11    H    VAL   3           H        VAL   3  -1.232  -5.083   0.884
   12    HA   VAL   3           HA       VAL   3  -2.629  -4.913  -1.602
   13    HB   VAL   3           HB       VAL   3  -3.492  -6.181   1.026
   14   HG11  VAL   3          HG11      VAL   3  -5.410  -5.733  -0.422
   15   HG12  VAL   3          HG12      VAL   3  -5.093  -7.465  -0.323
   16   HG13  VAL   3          3HG1      VAL   3  -4.608  -6.561  -1.757
   17   HG21  VAL   3          HG21      VAL   3  -2.239  -7.430  -1.420
   18   HG22  VAL   3          HG22      VAL   3  -2.797  -8.301   0.009
   19   HG23  VAL   3          HG23      VAL   3  -1.443  -7.176   0.131
   20    H    ALA   4           H        ALA   4  -2.924  -3.468   1.574
   21    HA   ALA   4           HA       ALA   4  -5.497  -2.319   0.990
   22    HB1  ALA   4           HB1      ALA   4  -3.640  -1.810   3.312
   23    HB2  ALA   4           HB2      ALA   4  -4.932  -3.010   3.273
   24    HB3  ALA   4           HB3      ALA   4  -5.321  -1.292   3.191
   25    H    VAL   5           H        VAL   5  -2.126  -1.226   1.105
   26    HA   VAL   5           HA       VAL   5  -3.032   1.305  -0.058
   27    HB   VAL   5           HB       VAL   5  -0.703   1.001   1.864
   28   HG11  VAL   5          HG11      VAL   5  -0.704   3.460   1.886
   29   HG12  VAL   5          HG12      VAL   5  -1.974   3.449   0.667
   30   HG13  VAL   5          3HG1      VAL   5  -0.383   2.780   0.292
   31   HG21  VAL   5          HG21      VAL   5  -2.773   0.703   3.108
   32   HG22  VAL   5          HG22      VAL   5  -3.433   2.173   2.395
   33   HG23  VAL   5          HG23      VAL   5  -2.052   2.270   3.488
   34    H    GLN   6           H        GLN   6  -2.398   1.178  -2.108
   35    HA   GLN   6           HA       GLN   6  -0.281  -0.412  -3.087
   36    HB2  GLN   6           HB2      GLN   6  -2.166   0.312  -4.501
   37    HB3  GLN   6           HB1      GLN   6  -1.614   1.978  -4.378
   38    HG2  GLN   6           HG2      GLN   6  -0.995   1.001  -6.517
   39    HG3  GLN   6           HG1      GLN   6   0.433   1.399  -5.563
   40   HE21  GLN   6          1HE2      GLN   6   1.743  -0.049  -6.573
   41   HE22  GLN   6          2HE2      GLN   6   1.600  -1.755  -6.399
   42    H    PHE   7           H        PHE   7  -0.502   2.873  -2.042
   43    HA   PHE   7           HA       PHE   7   1.951   3.880  -2.856
   44    HB2  PHE   7           HB2      PHE   7   0.533   5.505  -2.036
   45    HB3  PHE   7           HB1      PHE   7   0.007   4.533  -0.679
   46    HD1  PHE   7           HD1      PHE   7   2.733   6.687  -1.943
   47    HD2  PHE   7           HD2      PHE   7   1.051   4.691   1.406
   48    HE1  PHE   7           HE1      PHE   7   4.241   7.927  -0.430
   49    HE2  PHE   7           HE2      PHE   7   2.531   5.905   2.899
   50    HZ   PHE   7           HZ       PHE   7   4.134   7.518   2.006
   51    H    LEU   8           H        LEU   8   1.225   1.683  -0.215
   52    HA   LEU   8           HA       LEU   8   4.002   1.931   0.660
   53    HB2  LEU   8           HB2      LEU   8   2.143   2.186   2.330
   54    HB3  LEU   8           HB1      LEU   8   1.732   0.507   2.048
   55    HG   LEU   8           HG       LEU   8   3.952  -0.161   2.865
   56   HD11  LEU   8          HD11      LEU   8   4.271   2.781   3.413
   57   HD12  LEU   8          HD12      LEU   8   5.252   1.789   2.335
   58   HD13  LEU   8          HD13      LEU   8   5.315   1.530   4.075
   59   HD21  LEU   8          HD21      LEU   8   2.072  -0.119   4.387
   60   HD22  LEU   8          HD22      LEU   8   2.377   1.579   4.750
   61   HD23  LEU   8          HD23      LEU   8   3.547   0.348   5.228
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1   2.430   0.196  -1.296
    2    HA2  GLY   1           HA2      GLY   1   3.169  -1.649  -2.419
    3    HA3  GLY   1           HA1      GLY   1   4.514  -1.754  -1.290
    4    H    THR   2           H        THR   2   1.124  -1.672  -0.343
    5    HA   THR   2           HA       THR   2   1.352  -4.474   0.450
    6    HB   THR   2           HB       THR   2  -0.132  -3.914   2.369
    7    HG1  THR   2           HG1      THR   2  -0.526  -1.766   2.879
    8   HG21  THR   2          HG21      THR   2   2.401  -2.274   2.259
    9   HG22  THR   2          HG22      THR   2   2.277  -3.964   2.750
   10   HG23  THR   2          HG23      THR   2   1.530  -2.701   3.730
   11    H    VAL   3           H        VAL   3  -1.128  -5.142   1.005
   12    HA   VAL   3           HA       VAL   3  -2.483  -4.982  -1.501
   13    HB   VAL   3           HB       VAL   3  -3.436  -6.127   1.151
   14   HG11  VAL   3          HG11      VAL   3  -5.084  -7.359  -0.184
   15   HG12  VAL   3          HG12      VAL   3  -4.528  -6.524  -1.636
   16   HG13  VAL   3          3HG1      VAL   3  -5.302  -5.615  -0.341
   17   HG21  VAL   3          HG21      VAL   3  -1.426  -7.231   0.265
   18   HG22  VAL   3          HG22      VAL   3  -2.279  -7.519  -1.255
   19   HG23  VAL   3          HG23      VAL   3  -2.837  -8.286   0.226
   20    H    ALA   4           H        ALA   4  -2.969  -3.631   1.722
   21    HA   ALA   4           HA       ALA   4  -5.440  -2.376   1.061
   22    HB1  ALA   4           HB1      ALA   4  -5.272  -1.329   3.252
   23    HB2  ALA   4           HB2      ALA   4  -3.596  -1.859   3.390
   24    HB3  ALA   4           HB3      ALA   4  -4.897  -3.050   3.356
   25    H    VAL   5           H        VAL   5  -2.063  -1.349   1.145
   26    HA   VAL   5           HA       VAL   5  -2.902   1.183  -0.072
   27    HB   VAL   5           HB       VAL   5  -0.578   0.887   1.847
   28   HG11  VAL   5          HG11      VAL   5  -1.892   3.336   0.702
   29   HG12  VAL   5          HG12      VAL   5  -0.312   2.682   0.270
   30   HG13  VAL   5          3HG1      VAL   5  -0.587   3.327   1.889
   31   HG21  VAL   5          HG21      VAL   5  -1.903   2.121   3.496
   32   HG22  VAL   5          HG22      VAL   5  -2.613   0.552   3.109
   33   HG23  VAL   5          HG23      VAL   5  -3.307   2.025   2.433
   34    H    GLN   6           H        GLN   6  -2.263   0.869  -2.123
   35    HA   GLN   6           HA       GLN   6  -0.103  -0.740  -2.946
   36    HB2  GLN   6           HB2      GLN   6  -2.008  -0.098  -4.406
   37    HB3  GLN   6           HB1      GLN   6  -1.392   1.549  -4.435
   38    HG2  GLN   6           HG2      GLN   6   0.662   0.751  -5.486
   39    HG3  GLN   6           HG1      GLN   6   0.013  -0.887  -5.496
   40   HE21  GLN   6          1HE2      GLN   6   0.853   0.757  -7.683
   41   HE22  GLN   6          2HE2      GLN   6  -0.508   0.913  -8.736
   42    H    PHE   7           H        PHE   7  -0.400   2.644  -2.204
   43    HA   PHE   7           HA       PHE   7   2.076   3.658  -2.976
   44    HB2  PHE   7           HB2      PHE   7   0.620   5.303  -2.251
   45    HB3  PHE   7           HB1      PHE   7   0.067   4.372  -0.872
   46    HD1  PHE   7           HD1      PHE   7   0.998   4.693   1.247
   47    HD2  PHE   7           HD2      PHE   7   2.869   6.447  -2.146
   48    HE1  PHE   7           HE1      PHE   7   2.451   5.976   2.733
   49    HE2  PHE   7           HE2      PHE   7   4.335   7.742  -0.654
   50    HZ   PHE   7           HZ       PHE   7   4.123   7.494   1.803
   51    H    LEU   8           H        LEU   8   1.249   1.744  -0.181
   52    HA   LEU   8           HA       LEU   8   3.900   2.084   0.965
   53    HB2  LEU   8           HB2      LEU   8   1.780   2.168   2.320
   54    HB3  LEU   8           HB1      LEU   8   1.566   0.469   1.967
   55    HG   LEU   8           HG       LEU   8   3.716   0.012   3.134
   56   HD11  LEU   8          HD11      LEU   8   4.628   1.760   4.604
   57   HD12  LEU   8          HD12      LEU   8   3.506   2.926   3.898
   58   HD13  LEU   8          HD13      LEU   8   4.757   2.199   2.904
   59   HD21  LEU   8          HD21      LEU   8   1.593   1.418   4.746
   60   HD22  LEU   8          HD22      LEU   8   2.780   0.269   5.371
   61   HD23  LEU   8          HD23      LEU   8   1.550  -0.265   4.230