*HEADER    DE NOVO PROTEIN                         19-JUL-16   5KX2              
*TITLE     NMR SOLUTION STRUCTURE OF DESIGNED PEPTIDE NC_CEE_D1                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DESIGNED PEPTIDE NC_CEE_D1;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    SYNTHETIC DESIGNED PEPTIDE, DE NOVO PROTEIN                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.J.HARVEY,D.J.CRAIK                                                  
*REVDAT   1   21-SEP-16 5KX2    0                                                
# Restraints file 1: design20pdb.restraints
!distance restraints
assign (resid   2 and name   HB)   (resid   3 and name   HN)   3.070    1.270    1.270  
assign (resid   3 and name   HN)   (resid   3 and name   HB)   2.690    0.890    0.890  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.365    0.565    0.565  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.580    1.780    1.780  
assign (resid   2 and name   HN)   (resid   2 and name HG1#)   3.215    1.415    1.415  
assign (resid   2 and name   HN)   (resid   2 and name   HB)   2.645    0.845    0.845  
assign (resid   1 and name  HD2)   (resid   2 and name   HN)   3.280    1.480    1.480  
assign (resid   2 and name   HN)   (resid  17 and name   HN)   3.085    1.285    1.285  
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.815    1.015    1.015  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.815    1.015    1.015  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.360    0.560    0.560  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.415    0.615    0.615  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.370    0.570    0.570  
assign (resid   6 and name   HN)   (resid   6 and name HG1#)   3.175    1.375    1.375  
assign (resid   6 and name   HN)   (resid   6 and name HG2#)   3.175    1.375    1.375  
assign (resid   6 and name   HN)   (resid   6 and name   HB)   2.980    1.180    1.180  
assign (resid   6 and name HG1#)   (resid   7 and name   HN)   3.280    1.480    1.480  
assign (resid   6 and name HG2#)   (resid   7 and name   HN)   3.280    1.480    1.480  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.845    1.045    1.045  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.845    1.045    1.045  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.350    0.550    0.550  
assign (resid   8 and name   HA)   (resid   9 and name  HD2)   2.715    0.915    0.915  
assign (resid   8 and name   HA)   (resid   9 and name  HD1)   2.715    0.915    0.915  
assign (resid   4 and name   HN)   (resid  15 and name   HN)   3.070    1.270    1.270  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.360    0.560    0.560  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.665    0.865    0.865  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.935    1.135    1.135  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   3.055    1.255    1.255  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.385    0.585    0.585  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.880    1.080    1.080  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.880    1.080    1.080  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.360    0.560    0.560  
assign (resid   2 and name HG2#)   (resid   3 and name   HN)   3.250    1.450    1.450  
assign (resid  12 and name   HN)   (resid  12 and name   HB)   2.790    0.990    0.990  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.390    0.590    0.590  
assign (resid  11 and name   HB)   (resid  12 and name   HN)   2.925    1.125    1.125  
assign (resid  11 and name HG2#)   (resid  12 and name   HN)   2.980    1.180    1.180  
assign (resid  11 and name   HN)   (resid  11 and name HG2#)   2.990    1.190    1.190  
assign (resid  11 and name   HN)   (resid  11 and name   HB)   2.775    0.975    0.975  
assign (resid  16 and name   HN)   (resid  16 and name HG1#)   3.180    1.380    1.380  
assign (resid  16 and name   HN)   (resid  16 and name HG2#)   3.180    1.380    1.380  
assign (resid  15 and name HG2#)   (resid  16 and name   HN)   2.915    1.115    1.115  
assign (resid  16 and name   HN)   (resid  16 and name   HB)   2.780    0.980    0.980  
assign (resid  16 and name HG1#)   (resid  17 and name   HN)   3.280    1.480    1.480  
assign (resid  16 and name HG2#)   (resid  17 and name   HN)   3.280    1.480    1.480  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.375    0.575    0.575  
assign (resid  15 and name   HB)   (resid  16 and name   HN)   2.985    1.185    1.185  
assign (resid  15 and name   HN)   (resid  15 and name HG2#)   3.090    1.290    1.290  
assign (resid  15 and name   HN)   (resid  15 and name   HB)   2.830    1.030    1.030  
assign (resid   3 and name   HA)   (resid  17 and name   HN)   2.945    1.145    1.145  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.355    0.555    0.555  
assign (resid   1 and name  HD2)   (resid  18 and name   HA)   2.640    0.840    0.840  
assign (resid  17 and name   HA)   (resid  18 and name  HD2)   2.715    0.915    0.915  
assign (resid  17 and name   HA)   (resid  18 and name  HD1)   2.715    0.915    0.915  
assign (resid   1 and name  HD1)   (resid   2 and name   HN)   3.280    1.480    1.480  
assign (resid   2 and name   HN)   (resid  18 and name   HA)   3.365    1.565    1.565  
assign (resid   2 and name   HA)   (resid   2 and name HG1#)   2.815    1.015    1.015  
assign (resid   2 and name   HA)   (resid   2 and name HG2#)   2.815    1.015    1.015  
assign (resid   2 and name   HN)   (resid   2 and name HG2#)   3.215    1.415    1.415  
assign (resid   3 and name   HA)   (resid   3 and name HG2#)   2.680    0.880    0.880  
assign (resid   2 and name HG1#)   (resid   3 and name   HN)   3.250    1.450    1.450  
assign (resid   3 and name   HN)   (resid   3 and name HG2#)   3.195    1.395    1.395  
assign (resid   4 and name   HA)   (resid   4 and name  HE3)   3.185    1.385    1.385  
assign (resid   4 and name   HA)   (resid   4 and name  HD1)   3.420    1.620    1.620  
assign (resid   4 and name   HA)   (resid   4 and name  HZ3)   3.650    1.850    1.850  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   3.380    1.580    1.580  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   3.380    1.580    1.580  
assign (resid   8 and name HG2#)   (resid   8 and name HG11)   2.725    0.925    0.925  
assign (resid   8 and name   HN)   (resid   8 and name HG11)   3.305    1.505    1.505  
assign (resid   8 and name   HN)   (resid   8 and name HG12)   3.305    1.505    1.505  
assign (resid   8 and name   HN)   (resid   8 and name   HB)   2.775    0.975    0.975  
assign (resid  11 and name   HA)   (resid  11 and name HG2#)   2.760    0.960    0.960  
assign (resid  15 and name   HA)   (resid  15 and name HG2#)   2.915    1.115    1.115  
assign (resid  12 and name   HA)   (resid  12 and name HG2#)   2.880    1.080    1.080  
assign (resid   3 and name HG2#)   (resid  15 and name   HN)   3.205    1.405    1.405  
assign (resid  16 and name   HA)   (resid  16 and name HG1#)   2.910    1.110    1.110  
assign (resid  16 and name   HA)   (resid  16 and name HG2#)   2.910    1.110    1.110  
assign (resid   3 and name   HA)   (resid  16 and name HG1#)   3.475    1.675    1.675  
assign (resid   3 and name   HA)   (resid  16 and name HG2#)   3.475    1.675    1.675  
assign (resid   2 and name   HB)   (resid  17 and name   HN)   3.325    1.525    1.525  
assign (resid  16 and name   HB)   (resid  17 and name   HN)   3.320    1.520    1.520  
assign (resid   4 and name   HN)   (resid   4 and name  HE3)   3.630    1.830    1.830  
assign (resid   4 and name   HN)   (resid   4 and name  HD1)   3.480    1.680    1.680  
assign (resid   3 and name HG2#)   (resid  14 and name  HB1)   3.085    1.285    1.285  
assign (resid   1 and name  HD1)   (resid  18 and name   HA)   2.640    0.840    0.840  
assign (resid   8 and name   HA)   (resid   8 and name HG2#)   2.655    0.855    0.855  
assign (resid  12 and name   HA)   (resid  12 and name HG1#)   2.880    1.080    1.080  
assign (resid  13 and name   HA)   (resid  13 and name  HD2)   3.650    1.850    1.850  
assign (resid  13 and name   HA)   (resid  13 and name  HD1)   3.650    1.850    1.850  
assign (resid   8 and name HG2#)   (resid   8 and name HG12)   2.725    0.925    0.925  
assign (resid   1 and name  HD#)   (resid   2 and name   HN)   2.855    1.055    1.055  
assign (resid   1 and name  HD#)   (resid   2 and name  HG*)   3.065    1.265    1.265  
assign (resid   1 and name  HD#)   (resid  18 and name   HA)   2.410    0.610    0.610  
assign (resid   2 and name   HN)   (resid   2 and name  HG*)   2.700    0.900    0.900  
assign (resid   2 and name  HG*)   (resid   3 and name   HN)   2.725    0.925    0.925  
assign (resid   3 and name   HA)   (resid  16 and name  HG*)   3.055    1.255    1.255  
assign (resid   4 and name  HB#)   (resid   4 and name  HE3)   2.755    0.955    0.955  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   3.025    1.225    1.225  
assign (resid   4 and name  HD1)   (resid  17 and name  HB#)   3.105    1.305    1.305  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.635    0.835    0.835  
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   2.825    1.025    1.025  
assign (resid   6 and name   HN)   (resid   6 and name  HG*)   2.860    1.060    1.060  
assign (resid   6 and name  HG*)   (resid   7 and name   HN)   2.940    1.140    1.140  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.570    0.770    0.770  
assign (resid   7 and name   HN)   (resid   7 and name  HG#)   3.250    1.450    1.450  
assign (resid   7 and name  HB#)   (resid   7 and name HH1#)   3.230    1.430    1.430  
assign (resid   7 and name  HD#)   (resid   7 and name HH1#)   2.655    0.855    0.855  
assign (resid   8 and name   HN)   (resid   8 and name HG1#)   2.905    1.105    1.105  
assign (resid   8 and name   HA)   (resid   9 and name  HD#)   2.430    0.630    0.630  
assign (resid   8 and name HG2#)   (resid   8 and name HG1#)   2.475    0.675    0.675  
assign (resid   8 and name HG2#)   (resid   9 and name  HD#)   2.865    1.065    1.065  
assign (resid  10 and name  HG#)   (resid  11 and name   HN)   3.025    1.225    1.225  
assign (resid  10 and name  HD#)   (resid  11 and name   HN)   2.755    0.955    0.955  
assign (resid  12 and name   HN)   (resid  12 and name  HG*)   2.945    1.145    1.145  
assign (resid  12 and name  HG*)   (resid  13 and name   HN)   2.805    1.005    1.005  
assign (resid  16 and name   HN)   (resid  16 and name  HG*)   2.880    1.080    1.080  
assign (resid  16 and name  HG*)   (resid  17 and name   HN)   2.945    1.145    1.145  
assign (resid  17 and name   HN)   (resid  17 and name  HB#)   2.725    0.925    0.925  
assign (resid  17 and name   HA)   (resid  18 and name  HD#)   2.430    0.630    0.630  
!dihedral restraints
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0 -120.0   40.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  140.0   40.0 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -100.0   30.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  130.0   30.0 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0 -120.0   30.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  130.0   30.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0 -120.0   30.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  140.0   40.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0 -130.0   30.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  140.0   40.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0 -110.0   40.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  120.0   40.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0 -110.0   40.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  120.0   30.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0 -110.0   50.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  140.0   30.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -110.0   30.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  130.0   40.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0 -110.0   40.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  120.0   30.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -110.0   40.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  130.0   40.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -120.0   30.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  130.0   30.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -110.0   30.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  120.0   30.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0 -110.0   40.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  130.0   50.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name CB   ) (resid    5 and name SG   )    1.0  -60.0   30.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name SG   )    1.0  -60.0   30.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name CB   ) (resid   17 and name CG   )    1.0  -60.0   30.0 2
!hbond restraints
assign (resid 2 and name HN)(resid 17 and name O) 0 0 2
assign (resid 2 and name N)(resid 17 and name O) 0 0 3
assign (resid 4 and name HN)(resid 15 and name O) 0 0 2
assign (resid 4 and name N)(resid 15 and name O) 0 0 3
assign (resid 6 and name HN)(resid 13 and name O) 0 0 2
assign (resid 6 and name N)(resid 13 and name O) 0 0 3
assign (resid 8 and name HN)(resid 11 and name O) 0 0 2
assign (resid 8 and name N)(resid 11 and name O) 0 0 3
assign (resid 11 and name HN)(resid 8 and name O) 0 0 2
assign (resid 11 and name N)(resid 8 and name O) 0 0 3
assign (resid 13 and name HN)(resid 6 and name O) 0 0 2
assign (resid 13 and name N)(resid 6 and name O) 0 0 3
assign (resid 15 and name HN)(resid 4 and name O) 0 0 2
assign (resid 15 and name N)(resid 4 and name O) 0 0 3
assign (resid 17 and name HN)(resid 2 and name O) 0 0 2
assign (resid 17 and name N)(resid 2 and name O) 0 0 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PRO   1           HA       PRO   1   0.136  12.486  -3.772
    2    HB2  PRO   1          2HB       PRO   1   2.523  13.587  -4.138
    3    HB3  PRO   1          1HB       PRO   1   1.125  14.581  -3.714
    4    HG2  PRO   1          2HG       PRO   1   3.407  13.705  -2.017
    5    HG3  PRO   1          1HG       PRO   1   2.479  15.210  -1.956
    6    HD2  PRO   1          2HD       PRO   1   2.123  12.930  -0.311
    7    HD3  PRO   1          1HD       PRO   1   1.048  14.339  -0.432
    8    H    VAL   2           H        VAL   2   1.637  10.764  -1.356
    9    HA   VAL   2           HA       VAL   2   3.445   9.367  -3.193
   10    HB   VAL   2           HB       VAL   2   3.477   9.342  -0.154
   11   HG11  VAL   2          1HG1      VAL   2   5.466   8.250  -2.140
   12   HG12  VAL   2          2HG1      VAL   2   4.383   7.296  -1.130
   13   HG13  VAL   2          3HG1      VAL   2   5.662   8.259  -0.386
   14   HG21  VAL   2          1HG2      VAL   2   5.286  10.796  -2.087
   15   HG22  VAL   2          2HG2      VAL   2   5.510  10.711  -0.340
   16   HG23  VAL   2          3HG2      VAL   2   4.103  11.538  -1.010
   17    H    THR   3           H        THR   3   3.050   7.239  -3.652
   18    HA   THR   3           HA       THR   3   0.721   6.031  -2.356
   19    HB   THR   3           HB       THR   3   2.007   5.352  -5.015
   20    HG1  THR   3          1HG       THR   3   1.101   7.439  -4.984
   21   HG21  THR   3          1HG2      THR   3   0.704   3.512  -4.041
   22   HG22  THR   3          2HG2      THR   3  -0.135   4.181  -5.444
   23   HG23  THR   3          3HG2      THR   3  -0.672   4.590  -3.816
   24    H    TRP   4           H        TRP   4   1.089   4.248  -1.092
   25    HA   TRP   4           HA       TRP   4   3.702   2.939  -1.324
   26    HB2  TRP   4          2HB       TRP   4   1.859   3.149   1.073
   27    HB3  TRP   4          1HB       TRP   4   3.380   2.268   1.037
   28    HD1  TRP   4           HD       TRP   4   1.972   5.804   1.233
   29    HE1  TRP   4          1HE       TRP   4   3.861   7.420   1.946
   30    HE3  TRP   4          3HE       TRP   4   5.911   2.608   0.913
   31    HZ2  TRP   4          2HZ       TRP   4   6.654   7.338   2.298
   32    HZ3  TRP   4          3HZ       TRP   4   8.170   3.444   1.448
   33    HH2  TRP   4           HH       TRP   4   8.524   5.767   2.125
   34    H    CYS   5           H        CYS   5   3.284   1.255  -2.681
   35    HA   CYS   5           HA       CYS   5   0.907  -0.340  -2.212
   36    HB2  CYS   5          2HB       CYS   5   3.017  -0.536  -4.365
   37    HB3  CYS   5          1HB       CYS   5   1.598  -1.571  -4.253
   38    H    VAL   6           H        VAL   6   1.102  -1.541  -0.520
   39    HA   VAL   6           HA       VAL   6   3.522  -3.158  -0.201
   40    HB   VAL   6           HB       VAL   6   2.884  -3.411   2.183
   41   HG11  VAL   6          1HG1      VAL   6   4.451  -1.662   1.599
   42   HG12  VAL   6          2HG1      VAL   6   3.416  -1.133   2.925
   43   HG13  VAL   6          3HG1      VAL   6   3.123  -0.545   1.287
   44   HG21  VAL   6          1HG2      VAL   6   0.469  -3.097   1.973
   45   HG22  VAL   6          2HG2      VAL   6   0.716  -1.397   1.563
   46   HG23  VAL   6          3HG2      VAL   6   1.147  -1.993   3.168
   47    H    ARG   7           H        ARG   7   3.021  -5.337   0.810
   48    HA   ARG   7           HA       ARG   7   0.386  -6.216  -0.060
   49    HB2  ARG   7          2HB       ARG   7   1.294  -8.320  -0.892
   50    HB3  ARG   7          1HB       ARG   7   1.971  -6.938  -1.740
   51    HG2  ARG   7          2HG       ARG   7   4.022  -7.137  -0.459
   52    HG3  ARG   7          1HG       ARG   7   3.341  -8.499   0.435
   53    HD2  ARG   7          2HD       ARG   7   3.740  -8.402  -2.542
   54    HD3  ARG   7          1HD       ARG   7   4.839  -9.187  -1.414
   55    HE   ARG   7           HE       ARG   7   2.545 -10.412  -0.827
   56   HH11  ARG   7          1HH1      ARG   7   3.933  -9.680  -3.990
   57   HH12  ARG   7          2HH1      ARG   7   3.328 -11.073  -4.733
   58   HH21  ARG   7          1HH2      ARG   7   1.750 -12.328  -1.806
   59   HH22  ARG   7          2HH2      ARG   7   2.038 -12.632  -3.467
   60    H    ILE   8           H        ILE   8  -0.664  -7.531   1.141
   61    HA   ILE   8           HA       ILE   8   0.556  -8.444   3.634
   62    HB   ILE   8           HB       ILE   8  -2.393  -7.968   3.017
   63   HG12  ILE   8          2HG1      ILE   8  -0.520  -6.304   4.726
   64   HG13  ILE   8          1HG1      ILE   8  -1.120  -5.845   3.138
   65   HG21  ILE   8          1HG2      ILE   8  -1.007  -8.612   5.625
   66   HG22  ILE   8          2HG2      ILE   8  -2.000  -9.723   4.685
   67   HG23  ILE   8          3HG2      ILE   8  -2.730  -8.297   5.426
   68   HD11  ILE   8          1HD1      ILE   8  -2.793  -6.264   5.605
   69   HD12  ILE   8          2HD1      ILE   8  -3.398  -5.795   4.017
   70   HD13  ILE   8          3HD1      ILE   8  -2.335  -4.710   4.911
   71    HA   DPR   9           HA       DPR   9  -0.650 -12.639   2.491
   72    HB2  DPR   9          1HB       DPR   9   2.220 -12.781   1.730
   73    HB3  DPR   9          2HB       DPR   9   1.287 -13.835   2.796
   74    HG2  DPR   9          1HG       DPR   9   3.048 -12.099   3.783
   75    HG3  DPR   9          2HG       DPR   9   1.511 -12.409   4.610
   76    HD2  DPR   9          1HD       DPR   9   2.321 -10.093   2.904
   77    HD3  DPR   9          2HD       DPR   9   1.353 -10.130   4.394
   78    HA   PRO  10           HA       PRO  10  -0.114 -12.705  -2.003
   79    HB2  PRO  10          2HB       PRO  10  -2.471 -13.752  -2.624
   80    HB3  PRO  10          1HB       PRO  10  -1.248 -14.730  -1.797
   81    HG2  PRO  10          2HG       PRO  10  -3.678 -13.394  -0.676
   82    HG3  PRO  10          1HG       PRO  10  -3.008 -14.990  -0.305
   83    HD2  PRO  10          2HD       PRO  10  -2.609 -12.690   1.209
   84    HD3  PRO  10          1HD       PRO  10  -1.593 -14.143   1.267
   85    H    THR  11           H        THR  11  -1.975 -10.631  -0.127
   86    HA   THR  11           HA       THR  11  -3.362  -9.521  -2.439
   87    HB   THR  11           HB       THR  11  -3.853  -9.004   0.479
   88    HG1  THR  11          1HG       THR  11  -4.935 -10.838  -1.404
   89   HG21  THR  11          1HG2      THR  11  -4.683  -7.233  -1.015
   90   HG22  THR  11          2HG2      THR  11  -6.025  -8.135  -0.312
   91   HG23  THR  11          3HG2      THR  11  -5.534  -8.444  -1.977
   92    H    VAL  12           H        VAL  12  -2.711  -7.691  -3.232
   93    HA   VAL  12           HA       VAL  12  -0.678  -6.137  -1.796
   94    HB   VAL  12           HB       VAL  12  -1.417  -6.009  -4.737
   95   HG11  VAL  12          1HG1      VAL  12  -0.422  -3.940  -3.927
   96   HG12  VAL  12          2HG1      VAL  12   0.696  -4.777  -5.003
   97   HG13  VAL  12          3HG1      VAL  12   0.942  -4.835  -3.259
   98   HG21  VAL  12          1HG2      VAL  12   0.659  -7.235  -5.175
   99   HG22  VAL  12          2HG2      VAL  12  -0.454  -8.188  -4.189
  100   HG23  VAL  12          3HG2      VAL  12   0.930  -7.400  -3.441
  101    H    ARG  13           H        ARG  13  -1.050  -4.026  -1.302
  102    HA   ARG  13           HA       ARG  13  -3.531  -2.823  -2.232
  103    HB2  ARG  13          2HB       ARG  13  -3.887  -1.887   0.056
  104    HB3  ARG  13          1HB       ARG  13  -4.118  -3.622  -0.060
  105    HG2  ARG  13          2HG       ARG  13  -2.103  -4.074   1.061
  106    HG3  ARG  13          1HG       ARG  13  -1.534  -2.416   0.864
  107    HD2  ARG  13          2HD       ARG  13  -2.315  -2.982   3.142
  108    HD3  ARG  13          1HD       ARG  13  -3.151  -1.603   2.422
  109    HE   ARG  13           HE       ARG  13  -4.561  -4.001   1.944
  110   HH11  ARG  13          1HH1      ARG  13  -3.743  -1.903   4.677
  111   HH12  ARG  13          2HH1      ARG  13  -5.249  -2.048   5.443
  112   HH21  ARG  13          1HH2      ARG  13  -6.626  -4.231   2.967
  113   HH22  ARG  13          2HH2      ARG  13  -6.973  -3.413   4.423
  114    H    CYS  14           H        CYS  14  -3.391  -0.704  -2.622
  115    HA   CYS  14           HA       CYS  14  -0.795   0.524  -2.100
  116    HB2  CYS  14          2HB       CYS  14  -2.781   1.136  -4.298
  117    HB3  CYS  14          1HB       CYS  14  -1.291   2.025  -4.010
  118    H    THR  15           H        THR  15  -0.939   1.595  -0.316
  119    HA   THR  15           HA       THR  15  -3.334   3.082   0.335
  120    HB   THR  15           HB       THR  15  -0.706   2.911   1.840
  121    HG1  THR  15          1HG       THR  15  -3.030   1.288   2.193
  122   HG21  THR  15          1HG2      THR  15  -3.532   3.510   2.748
  123   HG22  THR  15          2HG2      THR  15  -2.259   4.705   2.515
  124   HG23  THR  15          3HG2      THR  15  -2.102   3.491   3.781
  125    H    VAL  16           H        VAL  16  -3.443   5.222  -0.175
  126    HA   VAL  16           HA       VAL  16  -0.988   6.426  -1.161
  127    HB   VAL  16           HB       VAL  16  -3.802   7.517  -1.417
  128   HG11  VAL  16          1HG1      VAL  16  -2.818   8.914  -3.196
  129   HG12  VAL  16          2HG1      VAL  16  -1.233   8.241  -2.820
  130   HG13  VAL  16          3HG1      VAL  16  -2.083   9.215  -1.621
  131   HG21  VAL  16          1HG2      VAL  16  -2.203   5.960  -3.453
  132   HG22  VAL  16          2HG2      VAL  16  -3.780   6.705  -3.727
  133   HG23  VAL  16          3HG2      VAL  16  -3.619   5.368  -2.587
  134    H    ARG  17           H        ARG  17   0.012   7.895  -0.056
  135    HA   ARG  17           HA       ARG  17  -1.308   9.091   2.269
  136    HB2  ARG  17          2HB       ARG  17   1.619   8.453   1.844
  137    HB3  ARG  17          1HB       ARG  17   0.939   9.253   3.251
  138    HG2  ARG  17          2HG       ARG  17   0.366   6.418   2.399
  139    HG3  ARG  17          1HG       ARG  17   1.473   6.904   3.685
  140    HD2  ARG  17          2HD       ARG  17  -1.495   7.384   3.588
  141    HD3  ARG  17          1HD       ARG  17  -0.670   6.187   4.584
  142    HE   ARG  17           HE       ARG  17   0.509   8.495   5.299
  143   HH11  ARG  17          1HH1      ARG  17  -2.873   7.474   5.125
  144   HH12  ARG  17          2HH1      ARG  17  -3.380   8.469   6.405
  145   HH21  ARG  17          1HH2      ARG  17  -0.220   9.909   7.072
  146   HH22  ARG  17          2HH2      ARG  17  -1.851   9.875   7.520
  147    HA   DPR  18           HA       DPR  18  -0.127  13.063   0.695
  148    HB2  DPR  18          1HB       DPR  18  -2.516  13.722  -0.516
  149    HB3  DPR  18          2HB       DPR  18  -2.219  13.884   1.218
  150    HG2  DPR  18          1HG       DPR  18  -3.615  11.706  -0.278
  151    HG3  DPR  18          2HG       DPR  18  -4.050  12.450   1.272
  152    HD2  DPR  18          1HD       DPR  18  -2.847  10.052   1.111
  153    HD3  DPR  18          2HD       DPR  18  -2.525  11.174   2.449
  Start of MODEL    2
    1    HA   PRO   1           HA       PRO   1   0.311  12.430  -3.526
    2    HB2  PRO   1          2HB       PRO   1   2.758  13.367  -3.974
    3    HB3  PRO   1          1HB       PRO   1   1.457  14.455  -3.476
    4    HG2  PRO   1          2HG       PRO   1   3.725  13.364  -1.880
    5    HG3  PRO   1          1HG       PRO   1   2.940  14.947  -1.782
    6    HD2  PRO   1          2HD       PRO   1   2.440  12.722  -0.122
    7    HD3  PRO   1          1HD       PRO   1   1.457  14.195  -0.229
    8    H    VAL   2           H        VAL   2   1.586  10.440  -1.233
    9    HA   VAL   2           HA       VAL   2   3.356   9.073  -3.147
   10    HB   VAL   2           HB       VAL   2   3.397   8.823  -0.127
   11   HG11  VAL   2          1HG1      VAL   2   5.329   7.798  -2.207
   12   HG12  VAL   2          2HG1      VAL   2   4.197   6.820  -1.276
   13   HG13  VAL   2          3HG1      VAL   2   5.519   7.652  -0.458
   14   HG21  VAL   2          1HG2      VAL   2   5.486  10.113  -0.227
   15   HG22  VAL   2          2HG2      VAL   2   4.112  11.046  -0.823
   16   HG23  VAL   2          3HG2      VAL   2   5.252  10.334  -1.961
   17    H    THR   3           H        THR   3   2.805   7.113  -3.849
   18    HA   THR   3           HA       THR   3   0.432   5.828  -2.773
   19    HB   THR   3           HB       THR   3   2.150   5.021  -5.137
   20    HG1  THR   3          1HG       THR   3   0.506   7.165  -4.810
   21   HG21  THR   3          1HG2      THR   3  -0.740   4.453  -4.426
   22   HG22  THR   3          2HG2      THR   3   0.590   3.299  -4.324
   23   HG23  THR   3          3HG2      THR   3   0.077   3.917  -5.894
   24    H    TRP   4           H        TRP   4   0.761   4.340  -1.143
   25    HA   TRP   4           HA       TRP   4   3.339   2.991  -1.087
   26    HB2  TRP   4          2HB       TRP   4   1.256   3.404   1.055
   27    HB3  TRP   4          1HB       TRP   4   2.650   2.350   1.251
   28    HD1  TRP   4           HD       TRP   4   1.687   6.034   1.070
   29    HE1  TRP   4          1HE       TRP   4   3.689   7.443   1.948
   30    HE3  TRP   4          3HE       TRP   4   5.173   2.364   1.429
   31    HZ2  TRP   4          2HZ       TRP   4   6.372   7.034   2.657
   32    HZ3  TRP   4          3HZ       TRP   4   7.451   2.947   2.204
   33    HH2  TRP   4           HH       TRP   4   8.022   5.239   2.802
   34    H    CYS   5           H        CYS   5   3.356   1.117  -2.030
   35    HA   CYS   5           HA       CYS   5   0.963  -0.552  -1.881
   36    HB2  CYS   5          2HB       CYS   5   3.294  -0.699  -3.810
   37    HB3  CYS   5          1HB       CYS   5   1.939  -1.814  -3.770
   38    H    VAL   6           H        VAL   6   1.050  -1.882  -0.304
   39    HA   VAL   6           HA       VAL   6   3.610  -3.169   0.342
   40    HB   VAL   6           HB       VAL   6   1.261  -2.663   2.208
   41   HG11  VAL   6          1HG1      VAL   6   3.991  -3.814   2.794
   42   HG12  VAL   6          2HG1      VAL   6   2.472  -4.708   2.775
   43   HG13  VAL   6          3HG1      VAL   6   2.745  -3.458   3.991
   44   HG21  VAL   6          1HG2      VAL   6   2.431  -0.588   1.704
   45   HG22  VAL   6          2HG2      VAL   6   3.972  -1.337   2.113
   46   HG23  VAL   6          3HG2      VAL   6   2.757  -1.084   3.365
   47    H    ARG   7           H        ARG   7   3.654  -5.286   0.014
   48    HA   ARG   7           HA       ARG   7   1.167  -6.556  -0.699
   49    HB2  ARG   7          2HB       ARG   7   2.520  -8.524  -1.375
   50    HB3  ARG   7          1HB       ARG   7   3.029  -7.056  -2.185
   51    HG2  ARG   7          2HG       ARG   7   4.952  -6.880  -0.768
   52    HG3  ARG   7          1HG       ARG   7   4.403  -8.240   0.213
   53    HD2  ARG   7          2HD       ARG   7   4.568  -9.673  -1.805
   54    HD3  ARG   7          1HD       ARG   7   5.255  -8.299  -2.678
   55    HE   ARG   7           HE       ARG   7   6.830  -8.434  -0.542
   56   HH11  ARG   7          1HH1      ARG   7   5.829 -10.977  -2.801
   57   HH12  ARG   7          2HH1      ARG   7   7.212 -11.931  -2.565
   58   HH21  ARG   7          1HH2      ARG   7   8.694  -9.696  -0.218
   59   HH22  ARG   7          2HH2      ARG   7   8.933 -11.156  -1.084
   60    H    ILE   8           H        ILE   8  -0.045  -7.068   0.874
   61    HA   ILE   8           HA       ILE   8   1.082  -8.221   3.307
   62    HB   ILE   8           HB       ILE   8  -1.762  -7.303   2.724
   63   HG12  ILE   8          2HG1      ILE   8   0.409  -5.849   4.262
   64   HG13  ILE   8          1HG1      ILE   8  -0.120  -5.432   2.638
   65   HG21  ILE   8          1HG2      ILE   8  -0.379  -8.010   5.314
   66   HG22  ILE   8          2HG2      ILE   8  -1.637  -8.951   4.506
   67   HG23  ILE   8          3HG2      ILE   8  -2.010  -7.361   5.175
   68   HD11  ILE   8          1HD1      ILE   8  -1.095  -3.952   4.296
   69   HD12  ILE   8          2HD1      ILE   8  -1.810  -5.333   5.129
   70   HD13  ILE   8          3HD1      ILE   8  -2.346  -4.909   3.503
   71    HA   DPR   9           HA       DPR   9  -0.758 -12.266   2.490
   72    HB2  DPR   9          1HB       DPR   9   2.001 -12.745   1.456
   73    HB3  DPR   9          2HB       DPR   9   1.038 -13.721   2.570
   74    HG2  DPR   9          1HG       DPR   9   3.033 -12.229   3.480
   75    HG3  DPR   9          2HG       DPR   9   1.508 -12.335   4.379
   76    HD2  DPR   9          1HD       DPR   9   2.537 -10.133   2.638
   77    HD3  DPR   9          2HD       DPR   9   1.634 -10.046   4.167
   78    HA   PRO  10           HA       PRO  10  -0.793 -12.462  -2.021
   79    HB2  PRO  10          2HB       PRO  10  -3.318 -13.244  -2.312
   80    HB3  PRO  10          1HB       PRO  10  -2.100 -14.346  -1.662
   81    HG2  PRO  10          2HG       PRO  10  -4.240 -12.841  -0.235
   82    HG3  PRO  10          1HG       PRO  10  -3.586 -14.454   0.093
   83    HD2  PRO  10          2HD       PRO  10  -2.881 -12.070   1.411
   84    HD3  PRO  10          1HD       PRO  10  -2.015 -13.616   1.497
   85    H    THR  11           H        THR  11  -2.094 -10.205   0.017
   86    HA   THR  11           HA       THR  11  -3.588  -8.912  -2.132
   87    HB   THR  11           HB       THR  11  -4.682  -7.542  -0.320
   88    HG1  THR  11          1HG       THR  11  -2.878  -8.841   1.220
   89   HG21  THR  11          1HG2      THR  11  -6.210  -9.320   0.391
   90   HG22  THR  11          2HG2      THR  11  -5.040 -10.531  -0.136
   91   HG23  THR  11          3HG2      THR  11  -5.801  -9.469  -1.320
   92    H    VAL  12           H        VAL  12  -2.403  -7.489  -3.161
   93    HA   VAL  12           HA       VAL  12  -0.393  -5.979  -1.741
   94    HB   VAL  12           HB       VAL  12  -1.277  -5.747  -4.640
   95   HG11  VAL  12          1HG1      VAL  12  -0.159  -3.744  -3.821
   96   HG12  VAL  12          2HG1      VAL  12   0.875  -4.601  -4.965
   97   HG13  VAL  12          3HG1      VAL  12   1.190  -4.717  -3.235
   98   HG21  VAL  12          1HG2      VAL  12   0.738  -7.042  -5.191
   99   HG22  VAL  12          2HG2      VAL  12  -0.388  -7.974  -4.204
  100   HG23  VAL  12          3HG2      VAL  12   1.054  -7.270  -3.472
  101    H    ARG  13           H        ARG  13  -0.904  -4.200  -0.747
  102    HA   ARG  13           HA       ARG  13  -3.419  -2.912  -1.478
  103    HB2  ARG  13          2HB       ARG  13  -3.353  -3.762   0.815
  104    HB3  ARG  13          1HB       ARG  13  -1.886  -2.843   1.127
  105    HG2  ARG  13          2HG       ARG  13  -3.109  -0.767   0.754
  106    HG3  ARG  13          1HG       ARG  13  -4.574  -1.692   0.450
  107    HD2  ARG  13          2HD       ARG  13  -4.540  -2.537   2.724
  108    HD3  ARG  13          1HD       ARG  13  -3.016  -1.696   3.032
  109    HE   ARG  13           HE       ARG  13  -4.658   0.239   2.143
  110   HH11  ARG  13          1HH1      ARG  13  -4.835  -2.035   4.856
  111   HH12  ARG  13          2HH1      ARG  13  -5.809  -1.014   5.812
  112   HH21  ARG  13          1HH2      ARG  13  -6.005   1.595   3.450
  113   HH22  ARG  13          2HH2      ARG  13  -6.460   1.104   5.019
  114    H    CYS  14           H        CYS  14  -3.097  -1.257  -2.733
  115    HA   CYS  14           HA       CYS  14  -0.785   0.471  -2.310
  116    HB2  CYS  14          2HB       CYS  14  -2.617   0.172  -4.701
  117    HB3  CYS  14          1HB       CYS  14  -1.395   1.425  -4.554
  118    H    THR  15           H        THR  15  -1.460   1.657  -0.654
  119    HA   THR  15           HA       THR  15  -3.893   3.242  -1.052
  120    HB   THR  15           HB       THR  15  -2.499   2.509   1.543
  121    HG1  THR  15          1HG       THR  15  -4.423   1.322   0.001
  122   HG21  THR  15          1HG2      THR  15  -5.123   3.958   1.060
  123   HG22  THR  15          2HG2      THR  15  -3.645   4.694   1.676
  124   HG23  THR  15          3HG2      THR  15  -4.491   3.481   2.636
  125    H    VAL  16           H        VAL  16  -3.630   5.356  -1.294
  126    HA   VAL  16           HA       VAL  16  -0.952   6.371  -1.286
  127    HB   VAL  16           HB       VAL  16  -1.834   8.410  -2.264
  128   HG11  VAL  16          1HG1      VAL  16  -2.779   7.458  -4.343
  129   HG12  VAL  16          2HG1      VAL  16  -2.941   5.908  -3.518
  130   HG13  VAL  16          3HG1      VAL  16  -1.345   6.611  -3.770
  131   HG21  VAL  16          1HG2      VAL  16  -4.238   8.645  -2.805
  132   HG22  VAL  16          2HG2      VAL  16  -3.945   8.608  -1.067
  133   HG23  VAL  16          3HG2      VAL  16  -4.571   7.179  -1.882
  134    H    ARG  17           H        ARG  17  -0.100   7.862  -0.080
  135    HA   ARG  17           HA       ARG  17  -1.613   8.968   2.165
  136    HB2  ARG  17          2HB       ARG  17   1.247   7.938   2.147
  137    HB3  ARG  17          1HB       ARG  17   0.546   8.876   3.454
  138    HG2  ARG  17          2HG       ARG  17  -0.998   7.125   3.980
  139    HG3  ARG  17          1HG       ARG  17  -0.525   6.212   2.548
  140    HD2  ARG  17          2HD       ARG  17   0.501   5.298   4.578
  141    HD3  ARG  17          1HD       ARG  17   1.711   5.911   3.456
  142    HE   ARG  17           HE       ARG  17   0.818   7.658   5.596
  143   HH11  ARG  17          1HH1      ARG  17   3.393   5.641   4.246
  144   HH12  ARG  17          2HH1      ARG  17   4.552   6.102   5.401
  145   HH21  ARG  17          1HH2      ARG  17   2.416   8.319   7.159
  146   HH22  ARG  17          2HH2      ARG  17   3.984   7.672   7.118
  147    HA   DPR  18           HA       DPR  18   0.313  12.800   0.977
  148    HB2  DPR  18          1HB       DPR  18  -1.926  13.952  -0.111
  149    HB3  DPR  18          2HB       DPR  18  -1.616  13.908   1.627
  150    HG2  DPR  18          1HG       DPR  18  -3.380  12.163  -0.037
  151    HG3  DPR  18          2HG       DPR  18  -3.667  12.826   1.583
  152    HD2  DPR  18          1HD       DPR  18  -2.895  10.268   1.154
  153    HD3  DPR  18          2HD       DPR  18  -2.436  11.180   2.608
  Start of MODEL    3
    1    HA   PRO   1           HA       PRO   1   0.844  12.104  -4.487
    2    HB2  PRO   1          2HB       PRO   1   3.340  12.920  -4.647
    3    HB3  PRO   1          1HB       PRO   1   2.024  14.090  -4.474
    4    HG2  PRO   1          2HG       PRO   1   3.968  13.116  -2.429
    5    HG3  PRO   1          1HG       PRO   1   3.294  14.740  -2.647
    6    HD2  PRO   1          2HD       PRO   1   2.385  12.798  -0.827
    7    HD3  PRO   1          1HD       PRO   1   1.522  14.272  -1.318
    8    H    VAL   2           H        VAL   2   1.791  10.444  -1.750
    9    HA   VAL   2           HA       VAL   2   3.510   8.675  -3.351
   10    HB   VAL   2           HB       VAL   2   3.568   8.932  -0.331
   11   HG11  VAL   2          1HG1      VAL   2   4.209   6.722  -1.129
   12   HG12  VAL   2          2HG1      VAL   2   5.605   7.578  -0.477
   13   HG13  VAL   2          3HG1      VAL   2   5.389   7.445  -2.223
   14   HG21  VAL   2          1HG2      VAL   2   5.539   9.984  -2.364
   15   HG22  VAL   2          2HG2      VAL   2   5.738  10.037  -0.613
   16   HG23  VAL   2          3HG2      VAL   2   4.444  10.958  -1.383
   17    H    THR   3           H        THR   3   2.616   6.828  -3.881
   18    HA   THR   3           HA       THR   3   0.396   5.831  -2.297
   19    HB   THR   3           HB       THR   3   1.493   4.753  -4.916
   20    HG1  THR   3          1HG       THR   3   0.529   6.983  -4.794
   21   HG21  THR   3          1HG2      THR   3   0.170   3.138  -3.619
   22   HG22  THR   3          2HG2      THR   3  -0.693   3.651  -5.069
   23   HG23  THR   3          3HG2      THR   3  -1.141   4.311  -3.496
   24    H    TRP   4           H        TRP   4   0.900   4.557  -0.659
   25    HA   TRP   4           HA       TRP   4   3.360   3.018  -0.703
   26    HB2  TRP   4          2HB       TRP   4   1.362   3.596   1.499
   27    HB3  TRP   4          1HB       TRP   4   2.788   2.585   1.699
   28    HD1  TRP   4           HD       TRP   4   1.767   6.257   1.204
   29    HE1  TRP   4          1HE       TRP   4   3.756   7.754   1.914
   30    HE3  TRP   4          3HE       TRP   4   5.278   2.631   1.980
   31    HZ2  TRP   4          2HZ       TRP   4   6.443   7.425   2.696
   32    HZ3  TRP   4          3HZ       TRP   4   7.534   3.305   2.708
   33    HH2  TRP   4           HH       TRP   4   8.095   5.652   3.055
   34    H    CYS   5           H        CYS   5   3.171   1.073  -1.601
   35    HA   CYS   5           HA       CYS   5   0.645  -0.319  -1.206
   36    HB2  CYS   5          2HB       CYS   5   2.770  -0.824  -3.296
   37    HB3  CYS   5          1HB       CYS   5   1.257  -1.703  -3.144
   38    H    VAL   6           H        VAL   6   0.721  -1.515   0.471
   39    HA   VAL   6           HA       VAL   6   3.189  -2.910   1.173
   40    HB   VAL   6           HB       VAL   6   2.125  -1.522   2.955
   41   HG11  VAL   6          1HG1      VAL   6  -0.217  -3.385   2.722
   42   HG12  VAL   6          2HG1      VAL   6  -0.186  -1.665   2.329
   43   HG13  VAL   6          3HG1      VAL   6   0.020  -2.192   3.999
   44   HG21  VAL   6          1HG2      VAL   6   2.065  -3.223   4.748
   45   HG22  VAL   6          2HG2      VAL   6   3.447  -3.411   3.674
   46   HG23  VAL   6          3HG2      VAL   6   2.057  -4.484   3.514
   47    H    ARG   7           H        ARG   7   3.162  -5.158   1.401
   48    HA   ARG   7           HA       ARG   7   0.860  -6.371   0.078
   49    HB2  ARG   7          2HB       ARG   7   2.466  -8.006  -0.906
   50    HB3  ARG   7          1HB       ARG   7   2.615  -6.359  -1.494
   51    HG2  ARG   7          2HG       ARG   7   4.529  -6.026   0.039
   52    HG3  ARG   7          1HG       ARG   7   4.412  -7.727   0.498
   53    HD2  ARG   7          2HD       ARG   7   6.117  -7.355  -1.209
   54    HD3  ARG   7          1HD       ARG   7   4.828  -8.385  -1.812
   55    HE   ARG   7           HE       ARG   7   4.938  -5.503  -2.363
   56   HH11  ARG   7          1HH1      ARG   7   4.434  -8.829  -3.518
   57   HH12  ARG   7          2HH1      ARG   7   4.309  -8.396  -5.158
   58   HH21  ARG   7          1HH2      ARG   7   4.649  -4.901  -4.628
   59   HH22  ARG   7          2HH2      ARG   7   4.421  -6.101  -5.805
   60    H    ILE   8           H        ILE   8  -0.115  -7.935   1.020
   61    HA   ILE   8           HA       ILE   8   1.253  -9.400   3.141
   62    HB   ILE   8           HB       ILE   8  -1.712  -8.688   3.012
   63   HG12  ILE   8          2HG1      ILE   8   0.426  -7.727   4.937
   64   HG13  ILE   8          1HG1      ILE   8  -0.267  -6.770   3.636
   65   HG21  ILE   8          1HG2      ILE   8  -1.856  -9.735   5.242
   66   HG22  ILE   8          2HG2      ILE   8  -0.157 -10.191   5.132
   67   HG23  ILE   8          3HG2      ILE   8  -1.329 -10.891   4.017
   68   HD11  ILE   8          1HD1      ILE   8  -1.746  -7.847   6.025
   69   HD12  ILE   8          2HD1      ILE   8  -2.448  -6.879   4.729
   70   HD13  ILE   8          3HD1      ILE   8  -1.223  -6.180   5.785
   71    HA   DPR   9           HA       DPR   9  -0.053 -13.188   1.113
   72    HB2  DPR   9          1HB       DPR   9   2.610 -12.914  -0.192
   73    HB3  DPR   9          2HB       DPR   9   1.933 -14.286   0.686
   74    HG2  DPR   9          1HG       DPR   9   3.812 -12.764   1.800
   75    HG3  DPR   9          2HG       DPR   9   2.454 -13.366   2.765
   76    HD2  DPR   9          1HD       DPR   9   2.904 -10.639   1.620
   77    HD3  DPR   9          2HD       DPR   9   2.244 -11.123   3.196
   78    HA   PRO  10           HA       PRO  10  -0.480 -12.179  -3.278
   79    HB2  PRO  10          2HB       PRO  10  -2.995 -12.986  -3.593
   80    HB3  PRO  10          1HB       PRO  10  -1.701 -14.163  -3.333
   81    HG2  PRO  10          2HG       PRO  10  -3.684 -13.069  -1.371
   82    HG3  PRO  10          1HG       PRO  10  -3.157 -14.746  -1.597
   83    HD2  PRO  10          2HD       PRO  10  -2.160 -13.077   0.344
   84    HD3  PRO  10          1HD       PRO  10  -1.258 -14.441  -0.352
   85    H    THR  11           H        THR  11  -1.883 -10.659  -0.596
   86    HA   THR  11           HA       THR  11  -3.603  -8.959  -2.222
   87    HB   THR  11           HB       THR  11  -3.355  -9.058   0.753
   88    HG1  THR  11          1HG       THR  11  -4.628 -10.693  -1.106
   89   HG21  THR  11          1HG2      THR  11  -5.575  -8.097  -1.074
   90   HG22  THR  11          2HG2      THR  11  -4.481  -7.070  -0.149
   91   HG23  THR  11          3HG2      THR  11  -5.642  -8.099   0.688
   92    H    VAL  12           H        VAL  12  -2.720  -7.193  -2.886
   93    HA   VAL  12           HA       VAL  12  -0.639  -5.854  -1.310
   94    HB   VAL  12           HB       VAL  12  -1.358  -5.430  -4.238
   95   HG11  VAL  12          1HG1      VAL  12  -0.426  -3.424  -3.222
   96   HG12  VAL  12          2HG1      VAL  12   0.721  -4.130  -4.361
   97   HG13  VAL  12          3HG1      VAL  12   0.954  -4.348  -2.627
   98   HG21  VAL  12          1HG2      VAL  12  -0.342  -7.625  -3.900
   99   HG22  VAL  12          2HG2      VAL  12   1.005  -6.883  -3.040
  100   HG23  VAL  12          3HG2      VAL  12   0.766  -6.552  -4.754
  101    H    ARG  13           H        ARG  13  -1.118  -3.970  -0.393
  102    HA   ARG  13           HA       ARG  13  -3.709  -2.751  -1.047
  103    HB2  ARG  13          2HB       ARG  13  -2.138  -2.634   1.519
  104    HB3  ARG  13          1HB       ARG  13  -3.643  -1.788   1.214
  105    HG2  ARG  13          2HG       ARG  13  -4.794  -3.923   0.995
  106    HG3  ARG  13          1HG       ARG  13  -3.271  -4.768   1.302
  107    HD2  ARG  13          2HD       ARG  13  -3.102  -3.644   3.471
  108    HD3  ARG  13          1HD       ARG  13  -4.645  -2.849   3.168
  109    HE   ARG  13           HE       ARG  13  -5.325  -5.375   2.900
  110   HH11  ARG  13          1HH1      ARG  13  -3.419  -3.759   5.429
  111   HH12  ARG  13          2HH1      ARG  13  -3.862  -4.845   6.645
  112   HH21  ARG  13          1HH2      ARG  13  -5.904  -6.882   4.600
  113   HH22  ARG  13          2HH2      ARG  13  -5.277  -6.677   6.168
  114    H    CYS  14           H        CYS  14  -3.440  -0.992  -2.201
  115    HA   CYS  14           HA       CYS  14  -1.058   0.610  -1.765
  116    HB2  CYS  14          2HB       CYS  14  -3.057   0.592  -4.018
  117    HB3  CYS  14          1HB       CYS  14  -1.780   1.794  -3.862
  118    H    THR  15           H        THR  15  -1.301   1.893  -0.175
  119    HA   THR  15           HA       THR  15  -3.780   3.409   0.165
  120    HB   THR  15           HB       THR  15  -1.459   2.996   2.058
  121    HG1  THR  15          1HG       THR  15  -3.680   1.448   1.420
  122   HG21  THR  15          1HG2      THR  15  -2.870   4.944   2.551
  123   HG22  THR  15          2HG2      THR  15  -3.078   3.693   3.777
  124   HG23  THR  15          3HG2      THR  15  -4.304   3.918   2.530
  125    H    VAL  16           H        VAL  16  -3.629   5.490  -0.530
  126    HA   VAL  16           HA       VAL  16  -0.974   6.487  -1.119
  127    HB   VAL  16           HB       VAL  16  -2.708   6.555  -2.907
  128   HG11  VAL  16          1HG1      VAL  16  -4.665   7.082  -1.579
  129   HG12  VAL  16          2HG1      VAL  16  -4.444   8.237  -2.890
  130   HG13  VAL  16          3HG1      VAL  16  -4.013   8.686  -1.240
  131   HG21  VAL  16          1HG2      VAL  16  -1.603   9.233  -2.080
  132   HG22  VAL  16          2HG2      VAL  16  -2.228   8.842  -3.680
  133   HG23  VAL  16          3HG2      VAL  16  -0.792   8.020  -3.070
  134    H    ARG  17           H        ARG  17  -0.013   8.084  -0.158
  135    HA   ARG  17           HA       ARG  17  -1.511   9.660   1.785
  136    HB2  ARG  17          2HB       ARG  17   1.394   8.782   1.892
  137    HB3  ARG  17          1HB       ARG  17   0.657   9.911   3.018
  138    HG2  ARG  17          2HG       ARG  17  -0.855   8.170   3.796
  139    HG3  ARG  17          1HG       ARG  17  -0.154   7.033   2.643
  140    HD2  ARG  17          2HD       ARG  17   2.022   7.275   3.746
  141    HD3  ARG  17          1HD       ARG  17   1.307   8.395   4.905
  142    HE   ARG  17           HE       ARG  17  -0.238   6.197   5.106
  143   HH11  ARG  17          1HH1      ARG  17   3.246   6.760   5.412
  144   HH12  ARG  17          2HH1      ARG  17   3.522   5.475   6.492
  145   HH21  ARG  17          1HH2      ARG  17   0.140   4.378   6.592
  146   HH22  ARG  17          2HH2      ARG  17   1.712   4.084   7.166
  147    HA   DPR  18           HA       DPR  18   0.075  13.312  -0.229
  148    HB2  DPR  18          1HB       DPR  18  -2.441  13.255  -1.779
  149    HB3  DPR  18          2HB       DPR  18  -1.822  14.516  -0.712
  150    HG2  DPR  18          1HG       DPR  18  -3.894  12.982  -0.003
  151    HG3  DPR  18          2HG       DPR  18  -2.693  13.523   1.180
  152    HD2  DPR  18          1HD       DPR  18  -2.990  10.857  -0.140
  153    HD3  DPR  18          2HD       DPR  18  -2.585  11.262   1.541
  Start of MODEL    4
    1    HA   PRO   1           HA       PRO   1   0.342  12.290  -4.252
    2    HB2  PRO   1          2HB       PRO   1   2.777  13.296  -4.476
    3    HB3  PRO   1          1HB       PRO   1   1.392  14.364  -4.206
    4    HG2  PRO   1          2HG       PRO   1   3.462  13.421  -2.280
    5    HG3  PRO   1          1HG       PRO   1   2.707  15.020  -2.410
    6    HD2  PRO   1          2HD       PRO   1   1.971  12.995  -0.615
    7    HD3  PRO   1          1HD       PRO   1   0.991  14.413  -1.050
    8    H    VAL   2           H        VAL   2   1.528  10.658  -1.614
    9    HA   VAL   2           HA       VAL   2   3.487   9.116  -3.176
   10    HB   VAL   2           HB       VAL   2   3.119   9.130  -0.168
   11   HG11  VAL   2          1HG1      VAL   2   5.356   8.091  -1.887
   12   HG12  VAL   2          2HG1      VAL   2   4.168   7.120  -1.019
   13   HG13  VAL   2          3HG1      VAL   2   5.335   8.093  -0.125
   14   HG21  VAL   2          1HG2      VAL   2   3.820  11.347  -0.905
   15   HG22  VAL   2          2HG2      VAL   2   5.157  10.625  -1.807
   16   HG23  VAL   2          3HG2      VAL   2   5.127  10.526  -0.049
   17    H    THR   3           H        THR   3   3.147   6.950  -3.507
   18    HA   THR   3           HA       THR   3   0.705   5.785  -2.375
   19    HB   THR   3           HB       THR   3   2.129   4.999  -4.929
   20    HG1  THR   3          1HG       THR   3   1.093   7.157  -4.868
   21   HG21  THR   3          1HG2      THR   3   0.780   3.219  -3.920
   22   HG22  THR   3          2HG2      THR   3   0.024   3.798  -5.403
   23   HG23  THR   3          3HG2      THR   3  -0.607   4.300  -3.837
   24    H    TRP   4           H        TRP   4   1.155   4.234  -0.894
   25    HA   TRP   4           HA       TRP   4   3.699   2.789  -1.133
   26    HB2  TRP   4          2HB       TRP   4   1.894   3.057   1.284
   27    HB3  TRP   4          1HB       TRP   4   3.439   2.229   1.236
   28    HD1  TRP   4           HD       TRP   4   1.898   5.688   1.339
   29    HE1  TRP   4          1HE       TRP   4   3.719   7.394   2.041
   30    HE3  TRP   4          3HE       TRP   4   5.971   2.653   1.167
   31    HZ2  TRP   4          2HZ       TRP   4   6.480   7.432   2.462
   32    HZ3  TRP   4          3HZ       TRP   4   8.177   3.595   1.734
   33    HH2  TRP   4           HH       TRP   4   8.417   5.940   2.367
   34    H    CYS   5           H        CYS   5   3.167   1.085  -2.438
   35    HA   CYS   5           HA       CYS   5   0.777  -0.414  -1.792
   36    HB2  CYS   5          2HB       CYS   5   2.809  -0.834  -3.996
   37    HB3  CYS   5          1HB       CYS   5   1.341  -1.774  -3.774
   38    H    VAL   6           H        VAL   6   0.921  -1.606  -0.149
   39    HA   VAL   6           HA       VAL   6   3.386  -3.090   0.374
   40    HB   VAL   6           HB       VAL   6   2.477  -3.432   2.664
   41   HG11  VAL   6          1HG1      VAL   6   2.613  -0.539   1.817
   42   HG12  VAL   6          2HG1      VAL   6   3.978  -1.561   2.266
   43   HG13  VAL   6          3HG1      VAL   6   2.769  -1.127   3.473
   44   HG21  VAL   6          1HG2      VAL   6   0.085  -3.283   2.177
   45   HG22  VAL   6          2HG2      VAL   6   0.259  -1.576   1.774
   46   HG23  VAL   6          3HG2      VAL   6   0.530  -2.122   3.427
   47    H    ARG   7           H        ARG   7   3.136  -5.358   0.955
   48    HA   ARG   7           HA       ARG   7   0.667  -6.387  -0.170
   49    HB2  ARG   7          2HB       ARG   7   1.879  -8.325  -1.102
   50    HB3  ARG   7          1HB       ARG   7   2.390  -6.802  -1.801
   51    HG2  ARG   7          2HG       ARG   7   4.372  -6.852  -0.310
   52    HG3  ARG   7          1HG       ARG   7   3.869  -8.456   0.233
   53    HD2  ARG   7          2HD       ARG   7   3.973  -9.232  -2.112
   54    HD3  ARG   7          1HD       ARG   7   4.564  -7.638  -2.586
   55    HE   ARG   7           HE       ARG   7   5.985  -9.314  -0.650
   56   HH11  ARG   7          1HH1      ARG   7   6.029  -7.382  -3.646
   57   HH12  ARG   7          2HH1      ARG   7   7.688  -7.569  -3.909
   58   HH21  ARG   7          1HH2      ARG   7   8.313  -9.585  -1.054
   59   HH22  ARG   7          2HH2      ARG   7   9.006  -8.863  -2.424
   60    H    ILE   8           H        ILE   8  -0.503  -7.500   1.004
   61    HA   ILE   8           HA       ILE   8   0.542  -8.673   3.472
   62    HB   ILE   8           HB       ILE   8  -2.337  -8.006   2.720
   63   HG12  ILE   8          2HG1      ILE   8  -0.476  -6.519   4.601
   64   HG13  ILE   8          1HG1      ILE   8  -0.927  -5.970   2.994
   65   HG21  ILE   8          1HG2      ILE   8  -1.113  -8.835   5.357
   66   HG22  ILE   8          2HG2      ILE   8  -2.132  -9.840   4.329
   67   HG23  ILE   8          3HG2      ILE   8  -2.803  -8.401   5.101
   68   HD11  ILE   8          1HD1      ILE   8  -2.184  -4.812   4.723
   69   HD12  ILE   8          2HD1      ILE   8  -2.799  -6.353   5.322
   70   HD13  ILE   8          3HD1      ILE   8  -3.256  -5.787   3.717
   71    HA   DPR   9           HA       DPR   9  -0.748 -12.731   2.017
   72    HB2  DPR   9          1HB       DPR   9   1.811 -13.575   1.361
   73    HB3  DPR   9          2HB       DPR   9   1.129 -13.682   2.985
   74    HG2  DPR   9          1HG       DPR   9   2.953 -11.634   1.817
   75    HG3  DPR   9          2HG       DPR   9   2.984 -12.375   3.425
   76    HD2  DPR   9          1HD       DPR   9   2.029  -9.918   3.018
   77    HD3  DPR   9          2HD       DPR   9   1.291 -11.008   4.216
   78    HA   PRO  10           HA       PRO  10   0.038 -12.331  -2.434
   79    HB2  PRO  10          2HB       PRO  10  -2.222 -13.425  -3.294
   80    HB3  PRO  10          1HB       PRO  10  -0.963 -14.415  -2.545
   81    HG2  PRO  10          2HG       PRO  10  -3.563 -13.508  -1.436
   82    HG3  PRO  10          1HG       PRO  10  -2.658 -14.993  -1.104
   83    HD2  PRO  10          2HD       PRO  10  -2.709 -12.621   0.469
   84    HD3  PRO  10          1HD       PRO  10  -1.665 -14.041   0.692
   85    H    THR  11           H        THR  11  -1.925 -10.519  -0.452
   86    HA   THR  11           HA       THR  11  -3.361  -9.245  -2.657
   87    HB   THR  11           HB       THR  11  -3.737  -8.885   0.293
   88    HG1  THR  11          1HG       THR  11  -4.657 -10.801  -1.522
   89   HG21  THR  11          1HG2      THR  11  -5.518  -8.203  -2.058
   90   HG22  THR  11          2HG2      THR  11  -4.615  -7.054  -1.074
   91   HG23  THR  11          3HG2      THR  11  -5.942  -7.972  -0.362
   92    H    VAL  12           H        VAL  12  -2.522  -7.436  -3.375
   93    HA   VAL  12           HA       VAL  12  -0.671  -5.957  -1.696
   94    HB   VAL  12           HB       VAL  12   0.054  -6.494  -4.037
   95   HG11  VAL  12          1HG1      VAL  12  -2.059  -6.330  -5.210
   96   HG12  VAL  12          2HG1      VAL  12  -0.861  -5.264  -5.942
   97   HG13  VAL  12          3HG1      VAL  12  -2.116  -4.596  -4.898
   98   HG21  VAL  12          1HG2      VAL  12   1.073  -4.626  -2.879
   99   HG22  VAL  12          2HG2      VAL  12  -0.210  -3.553  -3.434
  100   HG23  VAL  12          3HG2      VAL  12   0.914  -4.258  -4.596
  101    H    ARG  13           H        ARG  13  -1.078  -3.970  -0.963
  102    HA   ARG  13           HA       ARG  13  -3.655  -2.772  -1.659
  103    HB2  ARG  13          2HB       ARG  13  -3.829  -3.965   0.495
  104    HB3  ARG  13          1HB       ARG  13  -2.471  -3.036   1.110
  105    HG2  ARG  13          2HG       ARG  13  -3.756  -0.998   0.973
  106    HG3  ARG  13          1HG       ARG  13  -5.096  -1.875   0.229
  107    HD2  ARG  13          2HD       ARG  13  -3.998  -2.369   2.994
  108    HD3  ARG  13          1HD       ARG  13  -5.472  -1.477   2.618
  109    HE   ARG  13           HE       ARG  13  -5.782  -3.888   1.399
  110   HH11  ARG  13          1HH1      ARG  13  -5.358  -2.758   4.706
  111   HH12  ARG  13          2HH1      ARG  13  -6.087  -4.081   5.458
  112   HH21  ARG  13          1HH2      ARG  13  -6.858  -5.740   2.379
  113   HH22  ARG  13          2HH2      ARG  13  -6.981  -5.858   4.062
  114    H    CYS  14           H        CYS  14  -3.488  -0.682  -2.152
  115    HA   CYS  14           HA       CYS  14  -0.874   0.519  -1.728
  116    HB2  CYS  14          2HB       CYS  14  -2.930   1.093  -3.860
  117    HB3  CYS  14          1HB       CYS  14  -1.406   1.954  -3.668
  118    H    THR  15           H        THR  15  -0.915   1.576   0.033
  119    HA   THR  15           HA       THR  15  -3.195   3.217   0.718
  120    HB   THR  15           HB       THR  15  -1.776   3.717   2.785
  121    HG1  THR  15          1HG       THR  15   0.085   2.562   1.326
  122   HG21  THR  15          1HG2      THR  15  -3.563   2.033   2.817
  123   HG22  THR  15          2HG2      THR  15  -2.199   1.513   3.806
  124   HG23  THR  15          3HG2      THR  15  -2.441   0.823   2.200
  125    H    VAL  16           H        VAL  16  -3.308   5.135  -0.150
  126    HA   VAL  16           HA       VAL  16  -0.926   6.451  -1.129
  127    HB   VAL  16           HB       VAL  16  -3.842   7.239  -1.418
  128   HG11  VAL  16          1HG1      VAL  16  -3.071   8.677  -3.244
  129   HG12  VAL  16          2HG1      VAL  16  -1.403   8.224  -2.891
  130   HG13  VAL  16          3HG1      VAL  16  -2.338   9.130  -1.704
  131   HG21  VAL  16          1HG2      VAL  16  -3.390   5.084  -2.477
  132   HG22  VAL  16          2HG2      VAL  16  -2.056   5.808  -3.380
  133   HG23  VAL  16          3HG2      VAL  16  -3.711   6.336  -3.676
  134    H    ARG  17           H        ARG  17  -0.024   8.080  -0.126
  135    HA   ARG  17           HA       ARG  17  -1.481   9.418   2.042
  136    HB2  ARG  17          2HB       ARG  17   1.526   9.049   1.873
  137    HB3  ARG  17          1HB       ARG  17   0.617   9.691   3.227
  138    HG2  ARG  17          2HG       ARG  17   0.591   6.842   2.256
  139    HG3  ARG  17          1HG       ARG  17   1.431   7.439   3.686
  140    HD2  ARG  17          2HD       ARG  17  -0.774   8.062   4.633
  141    HD3  ARG  17          1HD       ARG  17  -1.543   7.368   3.205
  142    HE   ARG  17           HE       ARG  17   0.238   5.561   4.520
  143   HH11  ARG  17          1HH1      ARG  17  -3.089   6.758   4.526
  144   HH12  ARG  17          2HH1      ARG  17  -3.736   5.414   5.328
  145   HH21  ARG  17          1HH2      ARG  17  -0.635   3.699   5.622
  146   HH22  ARG  17          2HH2      ARG  17  -2.293   3.620   5.986
  147    HA   DPR  18           HA       DPR  18  -0.336  13.303   0.096
  148    HB2  DPR  18          1HB       DPR  18  -2.947  12.991  -1.295
  149    HB3  DPR  18          2HB       DPR  18  -2.352  14.343  -0.331
  150    HG2  DPR  18          1HG       DPR  18  -4.214  12.676   0.619
  151    HG3  DPR  18          2HG       DPR  18  -2.956  13.346   1.672
  152    HD2  DPR  18          1HD       DPR  18  -3.187  10.612   0.495
  153    HD3  DPR  18          2HD       DPR  18  -2.584  11.121   2.086
  Start of MODEL    5
    1    HA   PRO   1           HA       PRO   1   0.375  12.665  -4.240
    2    HB2  PRO   1          2HB       PRO   1   2.818  13.709  -4.112
    3    HB3  PRO   1          1HB       PRO   1   1.384  14.735  -3.958
    4    HG2  PRO   1          2HG       PRO   1   3.210  13.702  -1.826
    5    HG3  PRO   1          1HG       PRO   1   2.464  15.299  -1.981
    6    HD2  PRO   1          2HD       PRO   1   1.508  13.250  -0.373
    7    HD3  PRO   1          1HD       PRO   1   0.545  14.622  -0.956
    8    H    VAL   2           H        VAL   2   1.471  10.937  -1.567
    9    HA   VAL   2           HA       VAL   2   3.442   9.441  -3.161
   10    HB   VAL   2           HB       VAL   2   3.189   9.532  -0.131
   11   HG11  VAL   2          1HG1      VAL   2   5.409   8.516  -0.118
   12   HG12  VAL   2          2HG1      VAL   2   5.400   8.465  -1.880
   13   HG13  VAL   2          3HG1      VAL   2   4.242   7.501  -0.964
   14   HG21  VAL   2          1HG2      VAL   2   5.137  11.016  -1.897
   15   HG22  VAL   2          2HG2      VAL   2   5.198  10.953  -0.137
   16   HG23  VAL   2          3HG2      VAL   2   3.836  11.732  -0.945
   17    H    THR   3           H        THR   3   3.260   7.151  -3.164
   18    HA   THR   3           HA       THR   3   0.832   6.062  -1.941
   19    HB   THR   3           HB       THR   3   1.961   5.284  -4.653
   20    HG1  THR   3          1HG       THR   3   1.072   7.236  -4.932
   21   HG21  THR   3          1HG2      THR   3  -0.162   4.064  -4.906
   22   HG22  THR   3          2HG2      THR   3  -0.649   4.570  -3.288
   23   HG23  THR   3          3HG2      THR   3   0.729   3.488  -3.497
   24    H    TRP   4           H        TRP   4   1.184   4.211  -0.815
   25    HA   TRP   4           HA       TRP   4   3.850   2.976  -1.032
   26    HB2  TRP   4          2HB       TRP   4   2.047   3.158   1.389
   27    HB3  TRP   4          1HB       TRP   4   3.604   2.346   1.332
   28    HD1  TRP   4           HD       TRP   4   2.038   5.682   1.941
   29    HE1  TRP   4          1HE       TRP   4   3.879   7.435   2.399
   30    HE3  TRP   4          3HE       TRP   4   6.118   2.975   0.496
   31    HZ2  TRP   4          2HZ       TRP   4   6.674   7.628   2.169
   32    HZ3  TRP   4          3HZ       TRP   4   8.338   4.023   0.636
   33    HH2  TRP   4           HH       TRP   4   8.600   6.304   1.457
   34    H    CYS   5           H        CYS   5   3.659   1.086  -2.048
   35    HA   CYS   5           HA       CYS   5   1.215  -0.472  -1.633
   36    HB2  CYS   5          2HB       CYS   5   3.266  -0.669  -3.846
   37    HB3  CYS   5          1HB       CYS   5   1.830  -1.674  -3.696
   38    H    VAL   6           H        VAL   6   1.330  -2.078  -0.312
   39    HA   VAL   6           HA       VAL   6   3.814  -3.603  -0.141
   40    HB   VAL   6           HB       VAL   6   3.288  -4.045   2.302
   41   HG11  VAL   6          1HG1      VAL   6   5.039  -2.471   1.674
   42   HG12  VAL   6          2HG1      VAL   6   4.198  -1.923   3.124
   43   HG13  VAL   6          3HG1      VAL   6   3.849  -1.173   1.564
   44   HG21  VAL   6          1HG2      VAL   6   0.938  -3.399   2.328
   45   HG22  VAL   6          2HG2      VAL   6   1.370  -1.741   1.912
   46   HG23  VAL   6          3HG2      VAL   6   1.847  -2.408   3.473
   47    H    ARG   7           H        ARG   7   3.570  -5.781  -0.102
   48    HA   ARG   7           HA       ARG   7   0.860  -6.641  -0.672
   49    HB2  ARG   7          2HB       ARG   7   2.542  -7.184  -2.390
   50    HB3  ARG   7          1HB       ARG   7   3.428  -8.137  -1.204
   51    HG2  ARG   7          2HG       ARG   7   1.536  -9.638  -0.958
   52    HG3  ARG   7          1HG       ARG   7   0.602  -8.671  -2.094
   53    HD2  ARG   7          2HD       ARG   7   1.489 -10.650  -3.179
   54    HD3  ARG   7          1HD       ARG   7   2.218  -9.195  -3.851
   55    HE   ARG   7           HE       ARG   7   4.233  -9.729  -2.811
   56   HH11  ARG   7          1HH1      ARG   7   1.817 -12.159  -1.908
   57   HH12  ARG   7          2HH1      ARG   7   2.920 -13.447  -1.852
   58   HH21  ARG   7          1HH2      ARG   7   5.769 -11.504  -2.689
   59   HH22  ARG   7          2HH2      ARG   7   5.217 -13.061  -2.272
   60    H    ILE   8           H        ILE   8  -0.253  -7.429   0.837
   61    HA   ILE   8           HA       ILE   8   1.053  -8.738   3.086
   62    HB   ILE   8           HB       ILE   8  -1.784  -7.677   2.819
   63   HG12  ILE   8          2HG1      ILE   8  -0.225  -5.813   2.788
   64   HG13  ILE   8          1HG1      ILE   8  -1.047  -5.850   4.339
   65   HG21  ILE   8          1HG2      ILE   8  -1.928  -7.976   5.248
   66   HG22  ILE   8          2HG2      ILE   8  -0.303  -8.658   5.255
   67   HG23  ILE   8          3HG2      ILE   8  -1.609  -9.503   4.424
   68   HD11  ILE   8          1HD1      ILE   8   1.754  -6.816   3.784
   69   HD12  ILE   8          2HD1      ILE   8   0.935  -6.889   5.344
   70   HD13  ILE   8          3HD1      ILE   8   1.301  -5.325   4.612
   71    HA   DPR   9           HA       DPR   9  -0.991 -12.669   2.248
   72    HB2  DPR   9          1HB       DPR   9   1.730 -13.230   1.157
   73    HB3  DPR   9          2HB       DPR   9   0.763 -14.183   2.288
   74    HG2  DPR   9          1HG       DPR   9   2.839 -12.763   3.152
   75    HG3  DPR   9          2HG       DPR   9   1.341 -12.842   4.098
   76    HD2  DPR   9          1HD       DPR   9   2.380 -10.636   2.369
   77    HD3  DPR   9          2HD       DPR   9   1.517 -10.559   3.919
   78    HA   PRO  10           HA       PRO  10  -1.024 -12.806  -2.271
   79    HB2  PRO  10          2HB       PRO  10  -3.533 -13.609  -2.593
   80    HB3  PRO  10          1HB       PRO  10  -2.317 -14.709  -1.936
   81    HG2  PRO  10          2HG       PRO  10  -4.466 -13.199  -0.519
   82    HG3  PRO  10          1HG       PRO  10  -3.852 -14.829  -0.202
   83    HD2  PRO  10          2HD       PRO  10  -3.116 -12.491   1.169
   84    HD3  PRO  10          1HD       PRO  10  -2.249 -14.042   1.207
   85    H    THR  11           H        THR  11  -2.090 -10.435  -0.327
   86    HA   THR  11           HA       THR  11  -3.552  -9.098  -2.481
   87    HB   THR  11           HB       THR  11  -4.712  -7.876  -0.457
   88    HG1  THR  11          1HG       THR  11  -3.295  -9.364   0.962
   89   HG21  THR  11          1HG2      THR  11  -5.886  -9.188  -2.173
   90   HG22  THR  11          2HG2      THR  11  -6.541  -9.533  -0.574
   91   HG23  THR  11          3HG2      THR  11  -5.446 -10.679  -1.342
   92    H    VAL  12           H        VAL  12  -2.663  -7.280  -3.176
   93    HA   VAL  12           HA       VAL  12  -0.668  -6.024  -1.476
   94    HB   VAL  12           HB       VAL  12   0.137  -6.626  -3.718
   95   HG11  VAL  12          1HG1      VAL  12  -2.002  -4.803  -4.792
   96   HG12  VAL  12          2HG1      VAL  12  -1.905  -6.555  -4.987
   97   HG13  VAL  12          3HG1      VAL  12  -0.697  -5.516  -5.741
   98   HG21  VAL  12          1HG2      VAL  12   1.035  -4.440  -4.437
   99   HG22  VAL  12          2HG2      VAL  12   1.148  -4.674  -2.694
  100   HG23  VAL  12          3HG2      VAL  12  -0.112  -3.638  -3.364
  101    H    ARG  13           H        ARG  13  -0.935  -4.133  -0.569
  102    HA   ARG  13           HA       ARG  13  -3.383  -2.693  -1.296
  103    HB2  ARG  13          2HB       ARG  13  -1.947  -2.687   1.356
  104    HB3  ARG  13          1HB       ARG  13  -3.393  -1.779   0.968
  105    HG2  ARG  13          2HG       ARG  13  -4.553  -3.962   0.588
  106    HG3  ARG  13          1HG       ARG  13  -3.111  -4.758   1.229
  107    HD2  ARG  13          2HD       ARG  13  -4.859  -2.759   2.647
  108    HD3  ARG  13          1HD       ARG  13  -4.729  -4.478   2.998
  109    HE   ARG  13           HE       ARG  13  -2.293  -3.894   3.471
  110   HH11  ARG  13          1HH1      ARG  13  -5.075  -1.815   4.220
  111   HH12  ARG  13          2HH1      ARG  13  -4.277  -0.968   5.450
  112   HH21  ARG  13          1HH2      ARG  13  -1.208  -2.679   5.228
  113   HH22  ARG  13          2HH2      ARG  13  -2.082  -1.482   6.049
  114    H    CYS  14           H        CYS  14  -3.117  -0.760  -2.094
  115    HA   CYS  14           HA       CYS  14  -0.537   0.518  -1.707
  116    HB2  CYS  14          2HB       CYS  14  -2.598   0.859  -3.880
  117    HB3  CYS  14          1HB       CYS  14  -1.198   1.913  -3.698
  118    H    THR  15           H        THR  15  -0.591   1.771  -0.103
  119    HA   THR  15           HA       THR  15  -3.014   3.056   0.761
  120    HB   THR  15           HB       THR  15  -0.216   3.246   1.886
  121    HG1  THR  15          1HG       THR  15  -0.584   1.360   2.956
  122   HG21  THR  15          1HG2      THR  15  -2.942   3.538   3.162
  123   HG22  THR  15          2HG2      THR  15  -1.860   4.865   2.742
  124   HG23  THR  15          3HG2      THR  15  -1.394   3.709   3.991
  125    H    VAL  16           H        VAL  16  -3.471   4.951  -0.134
  126    HA   VAL  16           HA       VAL  16  -1.340   6.484  -1.345
  127    HB   VAL  16           HB       VAL  16  -3.245   6.150  -2.803
  128   HG11  VAL  16          1HG1      VAL  16  -5.464   7.051  -2.325
  129   HG12  VAL  16          2HG1      VAL  16  -4.942   7.443  -0.684
  130   HG13  VAL  16          3HG1      VAL  16  -4.999   5.760  -1.222
  131   HG21  VAL  16          1HG2      VAL  16  -3.174   9.003  -1.835
  132   HG22  VAL  16          2HG2      VAL  16  -3.827   8.460  -3.384
  133   HG23  VAL  16          3HG2      VAL  16  -2.110   8.260  -3.028
  134    H    ARG  17           H        ARG  17  -0.371   7.997  -0.287
  135    HA   ARG  17           HA       ARG  17  -1.856   9.344   1.831
  136    HB2  ARG  17          2HB       ARG  17   1.121   8.777   1.763
  137    HB3  ARG  17          1HB       ARG  17   0.263   9.641   3.025
  138    HG2  ARG  17          2HG       ARG  17   0.024   6.715   2.341
  139    HG3  ARG  17          1HG       ARG  17   0.760   7.417   3.781
  140    HD2  ARG  17          2HD       ARG  17  -2.162   7.508   3.014
  141    HD3  ARG  17          1HD       ARG  17  -1.446   6.536   4.291
  142    HE   ARG  17           HE       ARG  17  -0.814   9.180   4.809
  143   HH11  ARG  17          1HH1      ARG  17  -3.715   7.148   4.623
  144   HH12  ARG  17          2HH1      ARG  17  -4.602   8.035   5.763
  145   HH21  ARG  17          1HH2      ARG  17  -2.092  10.490   6.348
  146   HH22  ARG  17          2HH2      ARG  17  -3.669   9.989   6.736
  147    HA   DPR  18           HA       DPR  18  -0.792  13.285   0.074
  148    HB2  DPR  18          1HB       DPR  18  -3.199  12.814  -1.611
  149    HB3  DPR  18          2HB       DPR  18  -2.818  14.193  -0.579
  150    HG2  DPR  18          1HG       DPR  18  -4.638  12.408   0.158
  151    HG3  DPR  18          2HG       DPR  18  -3.527  13.113   1.344
  152    HD2  DPR  18          1HD       DPR  18  -3.486  10.410   0.076
  153    HD3  DPR  18          2HD       DPR  18  -3.086  10.904   1.734
  Start of MODEL    6
    1    HA   PRO   1           HA       PRO   1   1.003  12.128  -4.606
    2    HB2  PRO   1          2HB       PRO   1   3.591  12.681  -4.854
    3    HB3  PRO   1          1HB       PRO   1   2.395  13.975  -4.701
    4    HG2  PRO   1          2HG       PRO   1   4.306  12.919  -2.675
    5    HG3  PRO   1          1HG       PRO   1   3.725  14.572  -2.917
    6    HD2  PRO   1          2HD       PRO   1   2.754  12.717  -1.025
    7    HD3  PRO   1          1HD       PRO   1   1.993  14.252  -1.487
    8    H    VAL   2           H        VAL   2   1.713  10.378  -1.904
    9    HA   VAL   2           HA       VAL   2   3.506   8.562  -3.358
   10    HB   VAL   2           HB       VAL   2   3.314   8.787  -0.355
   11   HG11  VAL   2          1HG1      VAL   2   4.096   6.626  -1.130
   12   HG12  VAL   2          2HG1      VAL   2   5.408   7.515  -0.358
   13   HG13  VAL   2          3HG1      VAL   2   5.332   7.405  -2.116
   14   HG21  VAL   2          1HG2      VAL   2   5.382   9.978  -2.194
   15   HG22  VAL   2          2HG2      VAL   2   5.456   9.975  -0.428
   16   HG23  VAL   2          3HG2      VAL   2   4.188  10.873  -1.259
   17    H    THR   3           H        THR   3   2.734   6.622  -3.778
   18    HA   THR   3           HA       THR   3   0.368   5.688  -2.346
   19    HB   THR   3           HB       THR   3   1.637   4.580  -4.875
   20    HG1  THR   3          1HG       THR   3   0.632   6.778  -4.865
   21   HG21  THR   3          1HG2      THR   3  -1.070   4.083  -3.608
   22   HG22  THR   3          2HG2      THR   3   0.277   2.945  -3.626
   23   HG23  THR   3          3HG2      THR   3  -0.509   3.407  -5.138
   24    H    TRP   4           H        TRP   4   0.861   4.567  -0.597
   25    HA   TRP   4           HA       TRP   4   3.374   3.127  -0.389
   26    HB2  TRP   4          2HB       TRP   4   1.157   3.566   1.624
   27    HB3  TRP   4          1HB       TRP   4   2.726   2.850   1.960
   28    HD1  TRP   4           HD       TRP   4   1.060   6.226   1.258
   29    HE1  TRP   4          1HE       TRP   4   2.712   8.118   1.999
   30    HE3  TRP   4          3HE       TRP   4   5.175   3.394   2.296
   31    HZ2  TRP   4          2HZ       TRP   4   5.335   8.329   2.895
   32    HZ3  TRP   4          3HZ       TRP   4   7.213   4.519   3.087
   33    HH2  TRP   4           HH       TRP   4   7.285   6.935   3.376
   34    H    CYS   5           H        CYS   5   3.286   1.156  -1.325
   35    HA   CYS   5           HA       CYS   5   0.841  -0.398  -0.967
   36    HB2  CYS   5          2HB       CYS   5   3.035  -0.701  -3.013
   37    HB3  CYS   5          1HB       CYS   5   1.673  -1.801  -2.843
   38    H    VAL   6           H        VAL   6   0.864  -1.692   0.638
   39    HA   VAL   6           HA       VAL   6   3.311  -3.172   1.239
   40    HB   VAL   6           HB       VAL   6   2.405  -1.903   3.180
   41   HG11  VAL   6          1HG1      VAL   6   0.251  -2.461   4.194
   42   HG12  VAL   6          2HG1      VAL   6  -0.094  -3.538   2.847
   43   HG13  VAL   6          3HG1      VAL   6   0.063  -1.802   2.566
   44   HG21  VAL   6          1HG2      VAL   6   3.542  -4.001   3.668
   45   HG22  VAL   6          2HG2      VAL   6   2.023  -4.879   3.492
   46   HG23  VAL   6          3HG2      VAL   6   2.229  -3.732   4.815
   47    H    ARG   7           H        ARG   7   3.210  -5.453   1.199
   48    HA   ARG   7           HA       ARG   7   0.716  -6.397   0.038
   49    HB2  ARG   7          2HB       ARG   7   1.950  -8.023  -1.323
   50    HB3  ARG   7          1HB       ARG   7   2.410  -6.373  -1.697
   51    HG2  ARG   7          2HG       ARG   7   4.455  -6.654  -0.383
   52    HG3  ARG   7          1HG       ARG   7   3.975  -8.316  -0.026
   53    HD2  ARG   7          2HD       ARG   7   3.977  -8.785  -2.451
   54    HD3  ARG   7          1HD       ARG   7   4.569  -7.148  -2.739
   55    HE   ARG   7           HE       ARG   7   6.216  -8.494  -0.897
   56   HH11  ARG   7          1HH1      ARG   7   5.540  -8.363  -4.392
   57   HH12  ARG   7          2HH1      ARG   7   7.042  -8.987  -4.837
   58   HH21  ARG   7          1HH2      ARG   7   8.305  -9.337  -1.534
   59   HH22  ARG   7          2HH2      ARG   7   8.645  -9.567  -3.181
   60    H    ILE   8           H        ILE   8  -0.276  -7.912   0.941
   61    HA   ILE   8           HA       ILE   8   1.007  -9.453   3.068
   62    HB   ILE   8           HB       ILE   8  -1.974  -8.967   2.596
   63   HG12  ILE   8          2HG1      ILE   8  -1.867  -7.783   4.881
   64   HG13  ILE   8          1HG1      ILE   8  -0.127  -7.736   4.666
   65   HG21  ILE   8          1HG2      ILE   8  -2.305 -10.031   4.792
   66   HG22  ILE   8          2HG2      ILE   8  -0.589 -10.443   4.817
   67   HG23  ILE   8          3HG2      ILE   8  -1.640 -11.109   3.569
   68   HD11  ILE   8          1HD1      ILE   8  -1.152  -5.617   4.076
   69   HD12  ILE   8          2HD1      ILE   8  -2.175  -6.423   2.884
   70   HD13  ILE   8          3HD1      ILE   8  -0.429  -6.370   2.653
   71    HA   DPR   9           HA       DPR   9   0.297 -13.224   0.691
   72    HB2  DPR   9          1HB       DPR   9   2.903 -12.464  -0.536
   73    HB3  DPR   9          2HB       DPR   9   2.429 -13.991   0.213
   74    HG2  DPR   9          1HG       DPR   9   4.064 -12.323   1.463
   75    HG3  DPR   9          2HG       DPR   9   2.817 -13.219   2.348
   76    HD2  DPR   9          1HD       DPR   9   2.867 -10.353   1.517
   77    HD3  DPR   9          2HD       DPR   9   2.239 -11.094   3.003
   78    HA   PRO  10           HA       PRO  10  -0.240 -11.864  -3.592
   79    HB2  PRO  10          2HB       PRO  10  -2.625 -12.932  -4.032
   80    HB3  PRO  10          1HB       PRO  10  -1.194 -13.955  -3.843
   81    HG2  PRO  10          2HG       PRO  10  -3.323 -13.300  -1.848
   82    HG3  PRO  10          1HG       PRO  10  -2.581 -14.868  -2.207
   83    HD2  PRO  10          2HD       PRO  10  -1.846 -13.255  -0.113
   84    HD3  PRO  10          1HD       PRO  10  -0.769 -14.446  -0.877
   85    H    THR  11           H        THR  11  -1.769 -10.688  -0.846
   86    HA   THR  11           HA       THR  11  -3.629  -9.049  -2.378
   87    HB   THR  11           HB       THR  11  -3.361  -9.368   0.601
   88    HG1  THR  11          1HG       THR  11  -4.685 -10.803  -1.379
   89   HG21  THR  11          1HG2      THR  11  -4.445  -7.263  -0.061
   90   HG22  THR  11          2HG2      THR  11  -5.617  -8.351   0.685
   91   HG23  THR  11          3HG2      THR  11  -5.585  -8.157  -1.065
   92    H    VAL  12           H        VAL  12  -3.128  -6.997  -2.749
   93    HA   VAL  12           HA       VAL  12  -0.922  -5.832  -1.228
   94    HB   VAL  12           HB       VAL  12  -0.565  -4.244  -3.075
   95   HG11  VAL  12          1HG1      VAL  12  -0.547  -7.112  -3.979
   96   HG12  VAL  12          2HG1      VAL  12   0.723  -6.285  -3.080
   97   HG13  VAL  12          3HG1      VAL  12   0.354  -5.798  -4.736
   98   HG21  VAL  12          1HG2      VAL  12  -2.736  -5.784  -4.511
   99   HG22  VAL  12          2HG2      VAL  12  -1.688  -4.587  -5.262
  100   HG23  VAL  12          3HG2      VAL  12  -2.813  -4.103  -3.993
  101    H    ARG  13           H        ARG  13  -1.161  -3.954  -0.226
  102    HA   ARG  13           HA       ARG  13  -3.767  -2.652  -0.398
  103    HB2  ARG  13          2HB       ARG  13  -3.648  -3.796   1.735
  104    HB3  ARG  13          1HB       ARG  13  -2.051  -3.138   2.044
  105    HG2  ARG  13          2HG       ARG  13  -2.955  -0.925   2.321
  106    HG3  ARG  13          1HG       ARG  13  -4.555  -1.480   1.825
  107    HD2  ARG  13          2HD       ARG  13  -3.066  -2.497   4.240
  108    HD3  ARG  13          1HD       ARG  13  -4.298  -1.236   4.287
  109    HE   ARG  13           HE       ARG  13  -5.614  -3.164   3.066
  110   HH11  ARG  13          1HH1      ARG  13  -3.579  -3.398   5.962
  111   HH12  ARG  13          2HH1      ARG  13  -4.569  -4.573   6.700
  112   HH21  ARG  13          1HH2      ARG  13  -6.919  -4.837   4.092
  113   HH22  ARG  13          2HH2      ARG  13  -6.459  -5.417   5.622
  114    H    CYS  14           H        CYS  14  -3.406  -0.932  -1.516
  115    HA   CYS  14           HA       CYS  14  -0.948   0.570  -1.106
  116    HB2  CYS  14          2HB       CYS  14  -2.893   0.535  -3.408
  117    HB3  CYS  14          1HB       CYS  14  -1.526   1.632  -3.288
  118    H    THR  15           H        THR  15  -1.197   2.073   0.318
  119    HA   THR  15           HA       THR  15  -3.700   3.566   0.427
  120    HB   THR  15           HB       THR  15  -1.344   3.636   2.308
  121    HG1  THR  15          1HG       THR  15  -2.700   2.269   3.626
  122   HG21  THR  15          1HG2      THR  15  -4.211   4.552   2.647
  123   HG22  THR  15          2HG2      THR  15  -2.818   5.602   2.415
  124   HG23  THR  15          3HG2      THR  15  -2.959   4.639   3.886
  125    H    VAL  16           H        VAL  16  -3.667   5.364  -0.744
  126    HA   VAL  16           HA       VAL  16  -1.090   6.539  -1.356
  127    HB   VAL  16           HB       VAL  16  -2.412   6.084  -3.339
  128   HG11  VAL  16          1HG1      VAL  16  -4.643   6.161  -2.450
  129   HG12  VAL  16          2HG1      VAL  16  -4.505   7.252  -3.830
  130   HG13  VAL  16          3HG1      VAL  16  -4.512   7.901  -2.190
  131   HG21  VAL  16          1HG2      VAL  16  -0.941   8.011  -3.429
  132   HG22  VAL  16          2HG2      VAL  16  -2.227   9.047  -2.811
  133   HG23  VAL  16          3HG2      VAL  16  -2.384   8.299  -4.402
  134    H    ARG  17           H        ARG  17  -0.344   8.035  -0.253
  135    HA   ARG  17           HA       ARG  17  -2.174   9.902   1.046
  136    HB2  ARG  17          2HB       ARG  17   0.424   8.795   2.135
  137    HB3  ARG  17          1HB       ARG  17  -0.531  10.061   2.897
  138    HG2  ARG  17          2HG       ARG  17  -2.407   8.487   3.117
  139    HG3  ARG  17          1HG       ARG  17  -1.403   7.227   2.402
  140    HD2  ARG  17          2HD       ARG  17  -0.803   8.713   4.948
  141    HD3  ARG  17          1HD       ARG  17  -1.469   7.086   4.846
  142    HE   ARG  17           HE       ARG  17   0.899   7.137   3.389
  143   HH11  ARG  17          1HH1      ARG  17  -0.125   7.472   6.749
  144   HH12  ARG  17          2HH1      ARG  17   1.314   6.814   7.391
  145   HH21  ARG  17          1HH2      ARG  17   2.878   6.294   4.274
  146   HH22  ARG  17          2HH2      ARG  17   3.060   6.167   5.960
  147    HA   DPR  18           HA       DPR  18   0.579  13.177  -0.243
  148    HB2  DPR  18          1HB       DPR  18  -1.291  14.458  -1.790
  149    HB3  DPR  18          2HB       DPR  18  -1.191  14.662  -0.036
  150    HG2  DPR  18          1HG       DPR  18  -3.013  12.924  -1.648
  151    HG3  DPR  18          2HG       DPR  18  -3.382  13.913  -0.226
  152    HD2  DPR  18          1HD       DPR  18  -3.025  11.256  -0.097
  153    HD3  DPR  18          2HD       DPR  18  -2.544  12.334   1.235
  Start of MODEL    7
    1    HA   PRO   1           HA       PRO   1  -0.445  12.275  -3.865
    2    HB2  PRO   1          2HB       PRO   1   1.832  13.460  -4.536
    3    HB3  PRO   1          1HB       PRO   1   0.454  14.414  -3.970
    4    HG2  PRO   1          2HG       PRO   1   2.957  13.675  -2.537
    5    HG3  PRO   1          1HG       PRO   1   1.979  15.144  -2.405
    6    HD2  PRO   1          2HD       PRO   1   1.913  12.899  -0.675
    7    HD3  PRO   1          1HD       PRO   1   0.779  14.267  -0.701
    8    H    VAL   2           H        VAL   2   1.257  10.572  -1.601
    9    HA   VAL   2           HA       VAL   2   2.995   9.295  -3.609
   10    HB   VAL   2           HB       VAL   2   3.367   9.247  -0.612
   11   HG11  VAL   2          1HG1      VAL   2   5.192   8.368  -2.836
   12   HG12  VAL   2          2HG1      VAL   2   4.328   7.321  -1.711
   13   HG13  VAL   2          3HG1      VAL   2   5.607   8.384  -1.122
   14   HG21  VAL   2          1HG2      VAL   2   3.706  11.515  -1.443
   15   HG22  VAL   2          2HG2      VAL   2   4.839  10.915  -2.656
   16   HG23  VAL   2          3HG2      VAL   2   5.235  10.798  -0.941
   17    H    THR   3           H        THR   3   2.680   7.222  -4.076
   18    HA   THR   3           HA       THR   3   0.629   5.791  -2.586
   19    HB   THR   3           HB       THR   3   1.826   5.205  -5.305
   20    HG1  THR   3          1HG       THR   3   0.575   7.131  -5.257
   21   HG21  THR   3          1HG2      THR   3  -0.083   3.675  -5.551
   22   HG22  THR   3          2HG2      THR   3  -0.615   4.073  -3.916
   23   HG23  THR   3          3HG2      THR   3   0.908   3.220  -4.165
   24    H    TRP   4           H        TRP   4   1.366   4.450  -1.080
   25    HA   TRP   4           HA       TRP   4   3.962   3.117  -1.393
   26    HB2  TRP   4          2HB       TRP   4   2.149   3.435   1.020
   27    HB3  TRP   4          1HB       TRP   4   3.720   2.650   1.025
   28    HD1  TRP   4           HD       TRP   4   2.142   6.158   0.669
   29    HE1  TRP   4          1HE       TRP   4   3.936   7.904   1.337
   30    HE3  TRP   4          3HE       TRP   4   6.115   3.038   1.249
   31    HZ2  TRP   4          2HZ       TRP   4   6.652   7.928   2.002
   32    HZ3  TRP   4          3HZ       TRP   4   8.286   3.988   1.905
   33    HH2  TRP   4           HH       TRP   4   8.547   6.384   2.275
   34    H    CYS   5           H        CYS   5   3.768   1.034  -2.165
   35    HA   CYS   5           HA       CYS   5   1.192  -0.263  -1.679
   36    HB2  CYS   5          2HB       CYS   5   3.226  -0.904  -3.824
   37    HB3  CYS   5          1HB       CYS   5   1.698  -1.743  -3.590
   38    H    VAL   6           H        VAL   6   1.083  -1.576  -0.106
   39    HA   VAL   6           HA       VAL   6   3.486  -3.006   0.736
   40    HB   VAL   6           HB       VAL   6   2.534  -1.524   2.454
   41   HG11  VAL   6          1HG1      VAL   6   0.020  -3.159   2.249
   42   HG12  VAL   6          2HG1      VAL   6   0.220  -1.467   1.795
   43   HG13  VAL   6          3HG1      VAL   6   0.356  -1.948   3.487
   44   HG21  VAL   6          1HG2      VAL   6   2.295  -3.144   4.301
   45   HG22  VAL   6          2HG2      VAL   6   3.655  -3.520   3.241
   46   HG23  VAL   6          3HG2      VAL   6   2.157  -4.444   3.115
   47    H    ARG   7           H        ARG   7   3.509  -5.186   0.792
   48    HA   ARG   7           HA       ARG   7   1.234  -6.493  -0.422
   49    HB2  ARG   7          2HB       ARG   7   2.705  -8.468  -0.650
   50    HB3  ARG   7          1HB       ARG   7   3.375  -7.038  -1.411
   51    HG2  ARG   7          2HG       ARG   7   4.891  -6.736   0.477
   52    HG3  ARG   7          1HG       ARG   7   4.197  -8.156   1.264
   53    HD2  ARG   7          2HD       ARG   7   4.919  -9.537  -0.609
   54    HD3  ARG   7          1HD       ARG   7   5.608  -8.118  -1.397
   55    HE   ARG   7           HE       ARG   7   6.758  -8.241   1.096
   56   HH11  ARG   7          1HH1      ARG   7   6.597 -10.412  -1.691
   57   HH12  ARG   7          2HH1      ARG   7   8.143 -11.062  -1.443
   58   HH21  ARG   7          1HH2      ARG   7   8.887  -9.140   1.432
   59   HH22  ARG   7          2HH2      ARG   7   9.474 -10.333   0.380
   60    H    ILE   8           H        ILE   8  -0.235  -7.474   0.682
   61    HA   ILE   8           HA       ILE   8   0.385  -8.416   3.390
   62    HB   ILE   8           HB       ILE   8  -2.305  -7.517   2.290
   63   HG12  ILE   8          2HG1      ILE   8  -0.512  -6.056   4.252
   64   HG13  ILE   8          1HG1      ILE   8  -0.682  -5.632   2.553
   65   HG21  ILE   8          1HG2      ILE   8  -2.508  -9.191   4.035
   66   HG22  ILE   8          2HG2      ILE   8  -3.021  -7.623   4.661
   67   HG23  ILE   8          3HG2      ILE   8  -1.436  -8.269   5.084
   68   HD11  ILE   8          1HD1      ILE   8  -2.010  -4.176   3.971
   69   HD12  ILE   8          2HD1      ILE   8  -2.870  -5.573   4.622
   70   HD13  ILE   8          3HD1      ILE   8  -3.047  -5.141   2.922
   71    HA   DPR   9           HA       DPR   9  -1.106 -12.488   2.283
   72    HB2  DPR   9          1HB       DPR   9   1.318 -13.514   1.387
   73    HB3  DPR   9          2HB       DPR   9   0.803 -13.493   3.076
   74    HG2  DPR   9          1HG       DPR   9   2.602 -11.617   1.610
   75    HG3  DPR   9          2HG       DPR   9   2.744 -12.246   3.259
   76    HD2  DPR   9          1HD       DPR   9   1.875  -9.766   2.790
   77    HD3  DPR   9          2HD       DPR   9   1.174 -10.753   4.092
   78    HA   PRO  10           HA       PRO  10  -0.964 -12.933  -2.176
   79    HB2  PRO  10          2HB       PRO  10  -3.567 -13.400  -2.579
   80    HB3  PRO  10          1HB       PRO  10  -2.530 -14.596  -1.794
   81    HG2  PRO  10          2HG       PRO  10  -4.509 -12.720  -0.583
   82    HG3  PRO  10          1HG       PRO  10  -4.134 -14.392  -0.141
   83    HD2  PRO  10          2HD       PRO  10  -3.162 -12.123   1.148
   84    HD3  PRO  10          1HD       PRO  10  -2.462 -13.749   1.265
   85    H    THR  11           H        THR  11  -2.326 -10.404  -0.421
   86    HA   THR  11           HA       THR  11  -3.300  -9.076  -2.861
   87    HB   THR  11           HB       THR  11  -4.698  -7.699  -1.279
   88    HG1  THR  11          1HG       THR  11  -3.249  -8.983   0.530
   89   HG21  THR  11          1HG2      THR  11  -5.668  -9.550  -2.572
   90   HG22  THR  11          2HG2      THR  11  -6.405  -9.463  -0.973
   91   HG23  THR  11          3HG2      THR  11  -5.183 -10.687  -1.317
   92    H    VAL  12           H        VAL  12  -2.302  -7.211  -3.450
   93    HA   VAL  12           HA       VAL  12  -0.486  -6.037  -1.490
   94    HB   VAL  12           HB       VAL  12  -0.553  -5.577  -4.497
   95   HG11  VAL  12          1HG1      VAL  12   1.656  -4.539  -4.160
   96   HG12  VAL  12          2HG1      VAL  12   1.488  -4.771  -2.419
   97   HG13  VAL  12          3HG1      VAL  12   0.387  -3.691  -3.276
   98   HG21  VAL  12          1HG2      VAL  12   1.487  -6.947  -4.597
   99   HG22  VAL  12          2HG2      VAL  12   0.109  -7.875  -4.008
  100   HG23  VAL  12          3HG2      VAL  12   1.330  -7.296  -2.875
  101    H    ARG  13           H        ARG  13  -1.044  -4.212  -0.595
  102    HA   ARG  13           HA       ARG  13  -3.396  -2.804  -1.639
  103    HB2  ARG  13          2HB       ARG  13  -3.753  -3.713   0.584
  104    HB3  ARG  13          1HB       ARG  13  -2.267  -2.985   1.161
  105    HG2  ARG  13          2HG       ARG  13  -4.195  -1.740   1.960
  106    HG3  ARG  13          1HG       ARG  13  -3.238  -0.754   0.859
  107    HD2  ARG  13          2HD       ARG  13  -4.828  -1.295  -0.954
  108    HD3  ARG  13          1HD       ARG  13  -5.802  -2.204   0.203
  109    HE   ARG  13           HE       ARG  13  -5.434   0.351   1.231
  110   HH11  ARG  13          1HH1      ARG  13  -7.093  -1.147  -1.516
  111   HH12  ARG  13          2HH1      ARG  13  -8.239   0.091  -1.694
  112   HH21  ARG  13          1HH2      ARG  13  -7.030   2.040   1.021
  113   HH22  ARG  13          2HH2      ARG  13  -8.233   1.930  -0.175
  114    H    CYS  14           H        CYS  14  -3.041  -0.898  -2.528
  115    HA   CYS  14           HA       CYS  14  -0.554   0.432  -1.908
  116    HB2  CYS  14          2HB       CYS  14  -2.557   0.900  -4.110
  117    HB3  CYS  14          1HB       CYS  14  -1.122   1.892  -3.855
  118    H    THR  15           H        THR  15  -0.599   1.569  -0.210
  119    HA   THR  15           HA       THR  15  -2.977   2.999   0.574
  120    HB   THR  15           HB       THR  15  -1.612   3.481   2.636
  121    HG1  THR  15          1HG       THR  15   0.407   3.059   1.252
  122   HG21  THR  15          1HG2      THR  15  -1.659   1.195   3.501
  123   HG22  THR  15          2HG2      THR  15  -1.726   0.573   1.851
  124   HG23  THR  15          3HG2      THR  15  -3.075   1.507   2.491
  125    H    VAL  16           H        VAL  16  -3.226   4.888  -0.379
  126    HA   VAL  16           HA       VAL  16  -0.929   6.381  -1.299
  127    HB   VAL  16           HB       VAL  16  -3.870   7.117  -1.518
  128   HG11  VAL  16          1HG1      VAL  16  -3.142   8.639  -3.291
  129   HG12  VAL  16          2HG1      VAL  16  -1.463   8.197  -2.975
  130   HG13  VAL  16          3HG1      VAL  16  -2.400   9.037  -1.741
  131   HG21  VAL  16          1HG2      VAL  16  -2.081   5.776  -3.548
  132   HG22  VAL  16          2HG2      VAL  16  -3.736   6.314  -3.832
  133   HG23  VAL  16          3HG2      VAL  16  -3.416   5.015  -2.683
  134    H    ARG  17           H        ARG  17   0.050   7.697  -0.045
  135    HA   ARG  17           HA       ARG  17  -1.382   8.952   2.179
  136    HB2  ARG  17          2HB       ARG  17   1.557   8.323   1.841
  137    HB3  ARG  17          1HB       ARG  17   0.866   9.163   3.224
  138    HG2  ARG  17          2HG       ARG  17  -0.410   7.169   3.797
  139    HG3  ARG  17          1HG       ARG  17   0.241   6.344   2.382
  140    HD2  ARG  17          2HD       ARG  17   2.492   6.557   3.296
  141    HD3  ARG  17          1HD       ARG  17   1.836   7.400   4.703
  142    HE   ARG  17           HE       ARG  17   0.440   5.147   4.729
  143   HH11  ARG  17          1HH1      ARG  17   3.936   5.633   4.409
  144   HH12  ARG  17          2HH1      ARG  17   4.346   4.170   5.173
  145   HH21  ARG  17          1HH2      ARG  17   1.004   3.171   5.816
  146   HH22  ARG  17          2HH2      ARG  17   2.623   2.729   6.003
  147    HA   DPR  18           HA       DPR  18  -0.167  12.934   0.595
  148    HB2  DPR  18          1HB       DPR  18  -2.659  13.643  -0.348
  149    HB3  DPR  18          2HB       DPR  18  -2.159  13.839   1.333
  150    HG2  DPR  18          1HG       DPR  18  -3.814  11.707   0.068
  151    HG3  DPR  18          2HG       DPR  18  -3.995  12.467   1.660
  152    HD2  DPR  18          1HD       DPR  18  -2.921  10.012   1.314
  153    HD3  DPR  18          2HD       DPR  18  -2.408  11.097   2.622
  Start of MODEL    8
    1    HA   PRO   1           HA       PRO   1   0.189  11.604  -4.567
    2    HB2  PRO   1          2HB       PRO   1   2.585  12.708  -4.854
    3    HB3  PRO   1          1HB       PRO   1   1.128  13.712  -4.846
    4    HG2  PRO   1          2HG       PRO   1   3.131  13.265  -2.677
    5    HG3  PRO   1          1HG       PRO   1   2.290  14.756  -3.130
    6    HD2  PRO   1          2HD       PRO   1   1.576  13.044  -1.040
    7    HD3  PRO   1          1HD       PRO   1   0.534  14.280  -1.774
    8    H    VAL   2           H        VAL   2   1.405  10.666  -1.625
    9    HA   VAL   2           HA       VAL   2   3.526   8.962  -2.684
   10    HB   VAL   2           HB       VAL   2   2.616   9.402   0.185
   11   HG11  VAL   2          1HG1      VAL   2   3.701   7.238  -0.119
   12   HG12  VAL   2          2HG1      VAL   2   4.715   8.326   0.828
   13   HG13  VAL   2          3HG1      VAL   2   5.084   8.032  -0.872
   14   HG21  VAL   2          1HG2      VAL   2   3.556  11.439  -0.751
   15   HG22  VAL   2          2HG2      VAL   2   4.984  10.557  -1.286
   16   HG23  VAL   2          3HG2      VAL   2   4.661  10.744   0.438
   17    H    THR   3           H        THR   3   3.190   6.813  -2.988
   18    HA   THR   3           HA       THR   3   0.733   5.694  -1.888
   19    HB   THR   3           HB       THR   3   1.700   5.312  -4.736
   20    HG1  THR   3          1HG       THR   3   0.326   7.237  -3.613
   21   HG21  THR   3          1HG2      THR   3   0.565   3.318  -3.859
   22   HG22  THR   3          2HG2      THR   3  -0.466   4.132  -5.039
   23   HG23  THR   3          3HG2      THR   3  -0.782   4.309  -3.312
   24    H    TRP   4           H        TRP   4   1.451   4.302  -0.473
   25    HA   TRP   4           HA       TRP   4   3.837   2.714  -0.984
   26    HB2  TRP   4          2HB       TRP   4   2.065   2.840   1.458
   27    HB3  TRP   4          1HB       TRP   4   3.520   1.874   1.320
   28    HD1  TRP   4           HD       TRP   4   2.324   5.182   2.425
   29    HE1  TRP   4          1HE       TRP   4   4.330   6.690   3.029
   30    HE3  TRP   4          3HE       TRP   4   6.075   2.428   0.318
   31    HZ2  TRP   4          2HZ       TRP   4   7.125   6.709   2.636
   32    HZ3  TRP   4          3HZ       TRP   4   8.383   3.264   0.467
   33    HH2  TRP   4           HH       TRP   4   8.892   5.365   1.601
   34    H    CYS   5           H        CYS   5   3.347   1.068  -2.334
   35    HA   CYS   5           HA       CYS   5   0.944  -0.494  -1.798
   36    HB2  CYS   5          2HB       CYS   5   2.885  -0.599  -4.112
   37    HB3  CYS   5          1HB       CYS   5   1.492  -1.660  -3.937
   38    H    VAL   6           H        VAL   6   1.220  -1.761  -0.179
   39    HA   VAL   6           HA       VAL   6   3.711  -3.280   0.004
   40    HB   VAL   6           HB       VAL   6   3.266  -1.841   1.949
   41   HG11  VAL   6          1HG1      VAL   6   0.864  -1.694   1.887
   42   HG12  VAL   6          2HG1      VAL   6   1.391  -2.261   3.474
   43   HG13  VAL   6          3HG1      VAL   6   0.719  -3.400   2.308
   44   HG21  VAL   6          1HG2      VAL   6   2.960  -4.775   2.583
   45   HG22  VAL   6          2HG2      VAL   6   3.423  -3.527   3.739
   46   HG23  VAL   6          3HG2      VAL   6   4.471  -3.889   2.370
   47    H    ARG   7           H        ARG   7   3.658  -5.427  -0.197
   48    HA   ARG   7           HA       ARG   7   1.165  -6.621  -0.896
   49    HB2  ARG   7          2HB       ARG   7   3.058  -7.315  -2.189
   50    HB3  ARG   7          1HB       ARG   7   3.951  -7.765  -0.741
   51    HG2  ARG   7          2HG       ARG   7   2.524  -9.639  -0.354
   52    HG3  ARG   7          1HG       ARG   7   1.410  -9.119  -1.618
   53    HD2  ARG   7          2HD       ARG   7   4.287  -9.819  -2.126
   54    HD3  ARG   7          1HD       ARG   7   2.972 -10.992  -2.247
   55    HE   ARG   7           HE       ARG   7   2.013  -9.252  -3.850
   56   HH11  ARG   7          1HH1      ARG   7   5.455 -10.105  -3.613
   57   HH12  ARG   7          2HH1      ARG   7   5.795  -9.770  -5.234
   58   HH21  ARG   7          1HH2      ARG   7   2.487  -8.799  -6.092
   59   HH22  ARG   7          2HH2      ARG   7   4.074  -8.976  -6.673
   60    H    ILE   8           H        ILE   8  -0.173  -7.161   0.476
   61    HA   ILE   8           HA       ILE   8   0.659  -8.250   3.023
   62    HB   ILE   8           HB       ILE   8  -0.695  -6.318   3.406
   63   HG12  ILE   8          2HG1      ILE   8  -2.457  -8.762   3.713
   64   HG13  ILE   8          1HG1      ILE   8  -1.261  -8.193   4.871
   65   HG21  ILE   8          1HG2      ILE   8  -1.617  -6.018   1.233
   66   HG22  ILE   8          2HG2      ILE   8  -2.935  -6.004   2.427
   67   HG23  ILE   8          3HG2      ILE   8  -2.627  -7.448   1.444
   68   HD11  ILE   8          1HD1      ILE   8  -3.748  -6.713   4.052
   69   HD12  ILE   8          2HD1      ILE   8  -2.578  -6.191   5.268
   70   HD13  ILE   8          3HD1      ILE   8  -3.541  -7.650   5.526
   71    HA   DPR   9           HA       DPR   9  -1.454 -12.142   2.269
   72    HB2  DPR   9          1HB       DPR   9   1.357 -12.993   1.805
   73    HB3  DPR   9          2HB       DPR   9   0.158 -13.676   2.905
   74    HG2  DPR   9          1HG       DPR   9   2.206 -12.207   3.808
   75    HG3  DPR   9          2HG       DPR   9   0.601 -12.119   4.555
   76    HD2  DPR   9          1HD       DPR   9   1.929 -10.167   2.716
   77    HD3  DPR   9          2HD       DPR   9   0.810  -9.886   4.067
   78    HA   PRO  10           HA       PRO  10  -0.593 -12.817  -2.135
   79    HB2  PRO  10          2HB       PRO  10  -3.021 -13.563  -2.854
   80    HB3  PRO  10          1HB       PRO  10  -2.049 -14.611  -1.811
   81    HG2  PRO  10          2HG       PRO  10  -4.318 -12.799  -1.089
   82    HG3  PRO  10          1HG       PRO  10  -3.938 -14.414  -0.471
   83    HD2  PRO  10          2HD       PRO  10  -3.291 -11.999   0.781
   84    HD3  PRO  10          1HD       PRO  10  -2.564 -13.581   1.137
   85    H    THR  11           H        THR  11  -1.983 -10.263  -0.657
   86    HA   THR  11           HA       THR  11  -3.010  -9.130  -3.148
   87    HB   THR  11           HB       THR  11  -4.476  -7.683  -1.641
   88    HG1  THR  11          1HG       THR  11  -3.110  -8.944   0.257
   89   HG21  THR  11          1HG2      THR  11  -6.175  -9.424  -1.366
   90   HG22  THR  11          2HG2      THR  11  -4.953 -10.666  -1.635
   91   HG23  THR  11          3HG2      THR  11  -5.385  -9.557  -2.936
   92    H    VAL  12           H        VAL  12  -2.896  -6.716  -3.184
   93    HA   VAL  12           HA       VAL  12  -0.498  -5.776  -1.791
   94    HB   VAL  12           HB       VAL  12  -1.459  -4.965  -4.561
   95   HG11  VAL  12          1HG1      VAL  12   0.651  -3.724  -4.713
   96   HG12  VAL  12          2HG1      VAL  12   1.020  -4.159  -3.044
   97   HG13  VAL  12          3HG1      VAL  12  -0.367  -3.128  -3.401
   98   HG21  VAL  12          1HG2      VAL  12   0.573  -6.066  -5.400
   99   HG22  VAL  12          2HG2      VAL  12  -0.501  -7.207  -4.590
  100   HG23  VAL  12          3HG2      VAL  12   0.942  -6.619  -3.765
  101    H    ARG  13           H        ARG  13  -0.876  -4.144  -0.487
  102    HA   ARG  13           HA       ARG  13  -3.383  -2.682  -0.808
  103    HB2  ARG  13          2HB       ARG  13  -3.143  -3.838   1.350
  104    HB3  ARG  13          1HB       ARG  13  -1.638  -2.985   1.645
  105    HG2  ARG  13          2HG       ARG  13  -3.517  -2.017   2.905
  106    HG3  ARG  13          1HG       ARG  13  -2.826  -0.864   1.758
  107    HD2  ARG  13          2HD       ARG  13  -4.610  -1.336   0.181
  108    HD3  ARG  13          1HD       ARG  13  -5.297  -2.534   1.267
  109    HE   ARG  13           HE       ARG  13  -5.085   0.008   2.503
  110   HH11  ARG  13          1HH1      ARG  13  -7.006  -1.864   0.181
  111   HH12  ARG  13          2HH1      ARG  13  -8.426  -0.965   0.402
  112   HH21  ARG  13          1HH2      ARG  13  -7.062   1.266   2.796
  113   HH22  ARG  13          2HH2      ARG  13  -8.468   0.856   1.938
  114    H    CYS  14           H        CYS  14  -3.074  -0.898  -1.888
  115    HA   CYS  14           HA       CYS  14  -0.604   0.585  -1.593
  116    HB2  CYS  14          2HB       CYS  14  -2.935   0.955  -3.475
  117    HB3  CYS  14          1HB       CYS  14  -1.496   1.970  -3.457
  118    H    THR  15           H        THR  15  -0.457   1.808   0.005
  119    HA   THR  15           HA       THR  15  -2.769   3.123   1.181
  120    HB   THR  15           HB       THR  15   0.120   3.238   2.024
  121    HG1  THR  15          1HG       THR  15  -1.007   1.069   1.793
  122   HG21  THR  15          1HG2      THR  15  -0.871   3.657   4.259
  123   HG22  THR  15          2HG2      THR  15  -2.480   3.608   3.536
  124   HG23  THR  15          3HG2      THR  15  -1.348   4.878   3.082
  125    H    VAL  16           H        VAL  16  -3.268   5.022   0.309
  126    HA   VAL  16           HA       VAL  16  -1.207   6.528  -1.092
  127    HB   VAL  16           HB       VAL  16  -4.211   6.927  -1.168
  128   HG11  VAL  16          1HG1      VAL  16  -2.987   8.940  -1.735
  129   HG12  VAL  16          2HG1      VAL  16  -3.751   8.259  -3.174
  130   HG13  VAL  16          3HG1      VAL  16  -2.024   8.043  -2.908
  131   HG21  VAL  16          1HG2      VAL  16  -4.166   5.846  -3.351
  132   HG22  VAL  16          2HG2      VAL  16  -3.576   4.742  -2.104
  133   HG23  VAL  16          3HG2      VAL  16  -2.438   5.553  -3.181
  134    H    ARG  17           H        ARG  17  -0.240   7.941   0.082
  135    HA   ARG  17           HA       ARG  17  -1.745   9.576   2.016
  136    HB2  ARG  17          2HB       ARG  17   1.253   9.129   1.838
  137    HB3  ARG  17          1HB       ARG  17   0.422  10.088   3.045
  138    HG2  ARG  17          2HG       ARG  17   0.232   7.101   2.718
  139    HG3  ARG  17          1HG       ARG  17   1.179   7.962   3.929
  140    HD2  ARG  17          2HD       ARG  17  -0.960   8.966   4.755
  141    HD3  ARG  17          1HD       ARG  17  -1.810   7.876   3.653
  142    HE   ARG  17           HE       ARG  17   0.073   6.655   5.465
  143   HH11  ARG  17          1HH1      ARG  17  -3.324   7.407   4.820
  144   HH12  ARG  17          2HH1      ARG  17  -3.952   6.314   5.954
  145   HH21  ARG  17          1HH2      ARG  17  -0.774   5.123   7.054
  146   HH22  ARG  17          2HH2      ARG  17  -2.445   4.975   7.264
  147    HA   DPR  18           HA       DPR  18  -0.696  13.173  -0.416
  148    HB2  DPR  18          1HB       DPR  18  -2.978  13.258  -1.974
  149    HB3  DPR  18          2HB       DPR  18  -2.865  13.913  -0.335
  150    HG2  DPR  18          1HG       DPR  18  -3.980  11.302  -1.262
  151    HG3  DPR  18          2HG       DPR  18  -4.591  12.401  -0.012
  152    HD2  DPR  18          1HD       DPR  18  -3.247  10.160   0.588
  153    HD3  DPR  18          2HD       DPR  18  -3.089  11.634   1.565
  Start of MODEL    9
    1    HA   PRO   1           HA       PRO   1   0.315  12.088  -4.271
    2    HB2  PRO   1          2HB       PRO   1   2.770  12.953  -4.655
    3    HB3  PRO   1          1HB       PRO   1   1.476  14.101  -4.280
    4    HG2  PRO   1          2HG       PRO   1   3.639  13.041  -2.520
    5    HG3  PRO   1          1HG       PRO   1   2.936  14.666  -2.567
    6    HD2  PRO   1          2HD       PRO   1   2.250  12.597  -0.780
    7    HD3  PRO   1          1HD       PRO   1   1.341  14.099  -1.055
    8    H    VAL   2           H        VAL   2   1.706  10.497  -1.647
    9    HA   VAL   2           HA       VAL   2   3.407   8.834  -3.362
   10    HB   VAL   2           HB       VAL   2   3.508   9.056  -0.341
   11   HG11  VAL   2          1HG1      VAL   2   5.411   7.773  -2.296
   12   HG12  VAL   2          2HG1      VAL   2   4.315   6.928  -1.205
   13   HG13  VAL   2          3HG1      VAL   2   5.644   7.886  -0.552
   14   HG21  VAL   2          1HG2      VAL   2   5.579  10.341  -0.654
   15   HG22  VAL   2          2HG2      VAL   2   4.185  11.173  -1.346
   16   HG23  VAL   2          3HG2      VAL   2   5.319  10.322  -2.396
   17    H    THR   3           H        THR   3   2.670   6.865  -3.794
   18    HA   THR   3           HA       THR   3   0.469   5.843  -2.173
   19    HB   THR   3           HB       THR   3   1.384   4.905  -4.901
   20    HG1  THR   3          1HG       THR   3   0.684   7.169  -4.668
   21   HG21  THR   3          1HG2      THR   3  -0.896   3.984  -5.027
   22   HG22  THR   3          2HG2      THR   3  -1.241   4.606  -3.413
   23   HG23  THR   3          3HG2      THR   3  -0.038   3.334  -3.629
   24    H    TRP   4           H        TRP   4   1.136   4.494  -0.626
   25    HA   TRP   4           HA       TRP   4   3.579   2.954  -0.996
   26    HB2  TRP   4          2HB       TRP   4   1.768   3.224   1.408
   27    HB3  TRP   4          1HB       TRP   4   3.272   2.322   1.368
   28    HD1  TRP   4           HD       TRP   4   1.962   5.523   2.419
   29    HE1  TRP   4          1HE       TRP   4   3.846   7.246   2.781
   30    HE3  TRP   4          3HE       TRP   4   5.745   3.110  -0.018
   31    HZ2  TRP   4          2HZ       TRP   4   6.585   7.533   2.107
   32    HZ3  TRP   4          3HZ       TRP   4   7.959   4.176  -0.116
   33    HH2  TRP   4           HH       TRP   4   8.360   6.343   0.925
   34    H    CYS   5           H        CYS   5   3.470   0.963  -1.714
   35    HA   CYS   5           HA       CYS   5   0.937  -0.463  -1.446
   36    HB2  CYS   5          2HB       CYS   5   3.082  -0.739  -3.552
   37    HB3  CYS   5          1HB       CYS   5   1.671  -1.782  -3.428
   38    H    VAL   6           H        VAL   6   1.097  -1.596   0.312
   39    HA   VAL   6           HA       VAL   6   3.531  -3.124   0.836
   40    HB   VAL   6           HB       VAL   6   2.802  -1.708   2.699
   41   HG11  VAL   6          1HG1      VAL   6   0.202  -3.220   2.659
   42   HG12  VAL   6          2HG1      VAL   6   0.442  -1.524   2.241
   43   HG13  VAL   6          3HG1      VAL   6   0.699  -2.067   3.899
   44   HG21  VAL   6          1HG2      VAL   6   2.331  -4.629   3.288
   45   HG22  VAL   6          2HG2      VAL   6   2.642  -3.385   4.499
   46   HG23  VAL   6          3HG2      VAL   6   3.880  -3.785   3.308
   47    H    ARG   7           H        ARG   7   3.558  -5.273   0.576
   48    HA   ARG   7           HA       ARG   7   1.122  -6.506  -0.432
   49    HB2  ARG   7          2HB       ARG   7   3.202  -6.761  -1.730
   50    HB3  ARG   7          1HB       ARG   7   3.926  -7.605  -0.366
   51    HG2  ARG   7          2HG       ARG   7   2.152  -9.335  -0.559
   52    HG3  ARG   7          1HG       ARG   7   1.574  -8.520  -2.011
   53    HD2  ARG   7          2HD       ARG   7   4.321  -9.697  -1.608
   54    HD3  ARG   7          1HD       ARG   7   3.021 -10.415  -2.557
   55    HE   ARG   7           HE       ARG   7   3.370  -7.944  -3.626
   56   HH11  ARG   7          1HH1      ARG   7   5.498 -10.725  -3.096
   57   HH12  ARG   7          2HH1      ARG   7   6.520 -10.379  -4.413
   58   HH21  ARG   7          1HH2      ARG   7   4.755  -7.489  -5.451
   59   HH22  ARG   7          2HH2      ARG   7   6.073  -8.514  -5.797
   60    H    ILE   8           H        ILE   8  -0.163  -7.464   0.936
   61    HA   ILE   8           HA       ILE   8   1.018  -8.976   3.142
   62    HB   ILE   8           HB       ILE   8  -1.824  -7.922   2.824
   63   HG12  ILE   8          2HG1      ILE   8   0.391  -7.070   4.712
   64   HG13  ILE   8          1HG1      ILE   8  -0.191  -6.150   3.331
   65   HG21  ILE   8          1HG2      ILE   8  -0.559  -9.412   5.133
   66   HG22  ILE   8          2HG2      ILE   8  -1.776 -10.054   4.031
   67   HG23  ILE   8          3HG2      ILE   8  -2.186  -8.731   5.123
   68   HD11  ILE   8          1HD1      ILE   8  -1.058  -5.273   5.416
   69   HD12  ILE   8          2HD1      ILE   8  -1.771  -6.840   5.800
   70   HD13  ILE   8          3HD1      ILE   8  -2.366  -5.914   4.421
   71    HA   DPR   9           HA       DPR   9  -0.637 -12.799   1.574
   72    HB2  DPR   9          1HB       DPR   9   1.681 -13.644   0.318
   73    HB3  DPR   9          2HB       DPR   9   1.320 -13.873   2.032
   74    HG2  DPR   9          1HG       DPR   9   2.999 -11.785   0.705
   75    HG3  DPR   9          2HG       DPR   9   3.289 -12.656   2.222
   76    HD2  DPR   9          1HD       DPR   9   2.387 -10.141   2.187
   77    HD3  DPR   9          2HD       DPR   9   1.846 -11.305   3.418
   78    HA   PRO  10           HA       PRO  10  -0.925 -12.424  -2.905
   79    HB2  PRO  10          2HB       PRO  10  -3.533 -12.957  -3.119
   80    HB3  PRO  10          1HB       PRO  10  -2.377 -14.224  -2.697
   81    HG2  PRO  10          2HG       PRO  10  -4.253 -12.709  -0.938
   82    HG3  PRO  10          1HG       PRO  10  -3.809 -14.423  -0.886
   83    HD2  PRO  10          2HD       PRO  10  -2.741 -12.443   0.744
   84    HD3  PRO  10          1HD       PRO  10  -1.981 -14.013   0.413
   85    H    THR  11           H        THR  11  -2.148 -10.351  -0.535
   86    HA   THR  11           HA       THR  11  -3.394  -8.672  -2.587
   87    HB   THR  11           HB       THR  11  -4.596  -7.581  -0.647
   88    HG1  THR  11          1HG       THR  11  -3.039  -9.070   0.782
   89   HG21  THR  11          1HG2      THR  11  -6.326  -9.337  -0.575
   90   HG22  THR  11          2HG2      THR  11  -5.176 -10.479  -1.275
   91   HG23  THR  11          3HG2      THR  11  -5.720  -9.090  -2.214
   92    H    VAL  12           H        VAL  12  -2.189  -7.014  -3.135
   93    HA   VAL  12           HA       VAL  12  -0.481  -5.835  -1.125
   94    HB   VAL  12           HB       VAL  12   0.568  -6.249  -3.322
   95   HG11  VAL  12          1HG1      VAL  12  -1.497  -4.375  -4.434
   96   HG12  VAL  12          2HG1      VAL  12  -1.312  -6.098  -4.787
   97   HG13  VAL  12          3HG1      VAL  12  -0.076  -4.955  -5.298
   98   HG21  VAL  12          1HG2      VAL  12   1.479  -4.007  -3.756
   99   HG22  VAL  12          2HG2      VAL  12   1.418  -4.391  -2.034
  100   HG23  VAL  12          3HG2      VAL  12   0.210  -3.318  -2.742
  101    H    ARG  13           H        ARG  13  -0.886  -3.991  -0.184
  102    HA   ARG  13           HA       ARG  13  -3.449  -2.736  -0.845
  103    HB2  ARG  13          2HB       ARG  13  -1.873  -2.527   1.727
  104    HB3  ARG  13          1HB       ARG  13  -3.499  -1.930   1.440
  105    HG2  ARG  13          2HG       ARG  13  -4.234  -4.291   1.106
  106    HG3  ARG  13          1HG       ARG  13  -2.615  -4.805   1.582
  107    HD2  ARG  13          2HD       ARG  13  -4.054  -4.940   3.497
  108    HD3  ARG  13          1HD       ARG  13  -2.935  -3.595   3.736
  109    HE   ARG  13           HE       ARG  13  -5.364  -2.776   2.523
  110   HH11  ARG  13          1HH1      ARG  13  -3.850  -3.367   5.676
  111   HH12  ARG  13          2HH1      ARG  13  -5.070  -2.583   6.542
  112   HH21  ARG  13          1HH2      ARG  13  -7.012  -1.724   3.704
  113   HH22  ARG  13          2HH2      ARG  13  -6.939  -1.616   5.397
  114    H    CYS  14           H        CYS  14  -3.163  -1.033  -2.063
  115    HA   CYS  14           HA       CYS  14  -0.780   0.586  -1.718
  116    HB2  CYS  14          2HB       CYS  14  -2.850   0.514  -3.914
  117    HB3  CYS  14          1HB       CYS  14  -1.548   1.696  -3.840
  118    H    THR  15           H        THR  15  -1.045   1.846  -0.103
  119    HA   THR  15           HA       THR  15  -3.557   3.256   0.292
  120    HB   THR  15           HB       THR  15  -1.080   3.342   2.007
  121    HG1  THR  15          1HG       THR  15  -1.480   1.358   2.446
  122   HG21  THR  15          1HG2      THR  15  -4.008   3.807   2.551
  123   HG22  THR  15          2HG2      THR  15  -2.748   5.041   2.463
  124   HG23  THR  15          3HG2      THR  15  -2.735   3.851   3.766
  125    H    VAL  16           H        VAL  16  -3.674   5.215  -0.686
  126    HA   VAL  16           HA       VAL  16  -1.207   6.478  -1.442
  127    HB   VAL  16           HB       VAL  16  -3.013   6.407  -3.125
  128   HG11  VAL  16          1HG1      VAL  16  -4.961   7.899  -2.961
  129   HG12  VAL  16          2HG1      VAL  16  -4.551   8.202  -1.271
  130   HG13  VAL  16          3HG1      VAL  16  -4.981   6.576  -1.801
  131   HG21  VAL  16          1HG2      VAL  16  -2.263   9.193  -2.266
  132   HG22  VAL  16          2HG2      VAL  16  -2.910   8.759  -3.848
  133   HG23  VAL  16          3HG2      VAL  16  -1.343   8.133  -3.333
  134    H    ARG  17           H        ARG  17  -0.173   7.746  -0.203
  135    HA   ARG  17           HA       ARG  17  -1.639   9.258   1.817
  136    HB2  ARG  17          2HB       ARG  17   1.265   8.384   1.790
  137    HB3  ARG  17          1HB       ARG  17   0.509   9.346   3.049
  138    HG2  ARG  17          2HG       ARG  17  -0.165   6.490   2.340
  139    HG3  ARG  17          1HG       ARG  17   0.741   7.036   3.756
  140    HD2  ARG  17          2HD       ARG  17  -2.142   7.657   3.116
  141    HD3  ARG  17          1HD       ARG  17  -1.567   6.538   4.350
  142    HE   ARG  17           HE       ARG  17  -0.408   8.685   5.224
  143   HH11  ARG  17          1HH1      ARG  17  -3.683   8.451   3.898
  144   HH12  ARG  17          2HH1      ARG  17  -4.294   9.763   4.768
  145   HH21  ARG  17          1HH2      ARG  17  -1.258  10.494   6.446
  146   HH22  ARG  17          2HH2      ARG  17  -2.890  10.934   6.252
  147    HA   DPR  18           HA       DPR  18   0.001  13.056   0.131
  148    HB2  DPR  18          1HB       DPR  18  -2.614  13.263  -1.224
  149    HB3  DPR  18          2HB       DPR  18  -1.876  14.372  -0.070
  150    HG2  DPR  18          1HG       DPR  18  -3.976  12.815   0.576
  151    HG3  DPR  18          2HG       DPR  18  -2.726  13.248   1.751
  152    HD2  DPR  18          1HD       DPR  18  -3.149  10.682   0.313
  153    HD3  DPR  18          2HD       DPR  18  -2.568  10.997   1.960
  Start of MODEL   10
    1    HA   PRO   1           HA       PRO   1   0.449  12.316  -4.732
    2    HB2  PRO   1          2HB       PRO   1   2.870  13.405  -4.901
    3    HB3  PRO   1          1HB       PRO   1   1.426  14.423  -4.801
    4    HG2  PRO   1          2HG       PRO   1   3.393  13.713  -2.663
    5    HG3  PRO   1          1HG       PRO   1   2.616  15.270  -2.992
    6    HD2  PRO   1          2HD       PRO   1   1.795  13.463  -1.061
    7    HD3  PRO   1          1HD       PRO   1   0.766  14.722  -1.771
    8    H    VAL   2           H        VAL   2   1.630  10.970  -1.948
    9    HA   VAL   2           HA       VAL   2   3.603   9.322  -3.359
   10    HB   VAL   2           HB       VAL   2   3.325   9.788  -0.363
   11   HG11  VAL   2          1HG1      VAL   2   5.489   8.665  -0.175
   12   HG12  VAL   2          2HG1      VAL   2   5.482   8.366  -1.912
   13   HG13  VAL   2          3HG1      VAL   2   4.273   7.600  -0.881
   14   HG21  VAL   2          1HG2      VAL   2   5.376  10.876  -2.292
   15   HG22  VAL   2          2HG2      VAL   2   5.398  11.089  -0.541
   16   HG23  VAL   2          3HG2      VAL   2   4.100  11.800  -1.501
   17    H    THR   3           H        THR   3   3.308   7.073  -3.310
   18    HA   THR   3           HA       THR   3   0.933   6.130  -1.890
   19    HB   THR   3           HB       THR   3   1.743   5.353  -4.704
   20    HG1  THR   3          1HG       THR   3   0.335   7.415  -3.710
   21   HG21  THR   3          1HG2      THR   3  -0.732   4.661  -3.086
   22   HG22  THR   3          2HG2      THR   3   0.591   3.553  -3.441
   23   HG23  THR   3          3HG2      THR   3  -0.413   4.165  -4.750
   24    H    TRP   4           H        TRP   4   1.271   4.367  -0.693
   25    HA   TRP   4           HA       TRP   4   3.760   2.851  -1.100
   26    HB2  TRP   4          2HB       TRP   4   2.249   3.378   1.469
   27    HB3  TRP   4          1HB       TRP   4   3.654   2.330   1.321
   28    HD1  TRP   4           HD       TRP   4   2.665   5.924   1.773
   29    HE1  TRP   4          1HE       TRP   4   4.802   7.380   1.975
   30    HE3  TRP   4          3HE       TRP   4   6.162   2.467   0.371
   31    HZ2  TRP   4          2HZ       TRP   4   7.568   7.095   1.576
   32    HZ3  TRP   4          3HZ       TRP   4   8.524   3.145   0.306
   33    HH2  TRP   4           HH       TRP   4   9.203   5.408   0.895
   34    H    CYS   5           H        CYS   5   3.583   0.606  -1.029
   35    HA   CYS   5           HA       CYS   5   0.840  -0.372  -0.911
   36    HB2  CYS   5          2HB       CYS   5   3.017  -1.278  -2.802
   37    HB3  CYS   5          1HB       CYS   5   1.422  -2.011  -2.667
   38    H    VAL   6           H        VAL   6   0.486  -1.875   0.458
   39    HA   VAL   6           HA       VAL   6   2.736  -3.121   1.857
   40    HB   VAL   6           HB       VAL   6  -0.212  -3.084   2.584
   41   HG11  VAL   6          1HG1      VAL   6   0.973  -4.979   3.544
   42   HG12  VAL   6          2HG1      VAL   6   0.525  -3.822   4.798
   43   HG13  VAL   6          3HG1      VAL   6   2.189  -3.894   4.218
   44   HG21  VAL   6          1HG2      VAL   6   0.700  -0.826   2.660
   45   HG22  VAL   6          2HG2      VAL   6   2.037  -1.382   3.667
   46   HG23  VAL   6          3HG2      VAL   6   0.387  -1.418   4.291
   47    H    ARG   7           H        ARG   7   3.185  -5.162   1.453
   48    HA   ARG   7           HA       ARG   7   1.371  -6.693  -0.240
   49    HB2  ARG   7          2HB       ARG   7   4.295  -7.062   0.372
   50    HB3  ARG   7          1HB       ARG   7   3.365  -8.095  -0.695
   51    HG2  ARG   7          2HG       ARG   7   2.934  -6.100  -2.130
   52    HG3  ARG   7          1HG       ARG   7   4.023  -5.183  -1.087
   53    HD2  ARG   7          2HD       ARG   7   5.209  -5.980  -3.062
   54    HD3  ARG   7          1HD       ARG   7   5.830  -6.766  -1.609
   55    HE   ARG   7           HE       ARG   7   3.807  -8.348  -2.622
   56   HH11  ARG   7          1HH1      ARG   7   7.052  -7.328  -3.644
   57   HH12  ARG   7          2HH1      ARG   7   7.337  -8.738  -4.542
   58   HH21  ARG   7          1HH2      ARG   7   4.240 -10.267  -3.863
   59   HH22  ARG   7          2HH2      ARG   7   5.723 -10.423  -4.692
   60    H    ILE   8           H        ILE   8   0.173  -8.173   0.699
   61    HA   ILE   8           HA       ILE   8   1.247  -9.619   3.012
   62    HB   ILE   8           HB       ILE   8  -1.689  -8.905   2.626
   63   HG12  ILE   8          2HG1      ILE   8   0.255  -7.630   4.573
   64   HG13  ILE   8          1HG1      ILE   8  -0.281  -6.870   3.080
   65   HG21  ILE   8          1HG2      ILE   8  -1.245 -10.935   3.923
   66   HG22  ILE   8          2HG2      ILE   8  -1.906  -9.663   4.950
   67   HG23  ILE   8          3HG2      ILE   8  -0.182 -10.025   4.993
   68   HD11  ILE   8          1HD1      ILE   8  -2.569  -6.854   3.916
   69   HD12  ILE   8          2HD1      ILE   8  -1.477  -6.017   5.023
   70   HD13  ILE   8          3HD1      ILE   8  -2.037  -7.650   5.396
   71    HA   DPR   9           HA       DPR   9  -0.060 -13.362   0.880
   72    HB2  DPR   9          1HB       DPR   9   2.511 -13.160  -0.587
   73    HB3  DPR   9          2HB       DPR   9   1.900 -14.482   0.410
   74    HG2  DPR   9          1HG       DPR   9   3.863 -12.915   1.294
   75    HG3  DPR   9          2HG       DPR   9   2.583 -13.463   2.389
   76    HD2  DPR   9          1HD       DPR   9   2.921 -10.807   1.045
   77    HD3  DPR   9          2HD       DPR   9   2.449 -11.184   2.717
   78    HA   PRO  10           HA       PRO  10  -0.777 -12.236  -3.447
   79    HB2  PRO  10          2HB       PRO  10  -3.313 -13.078  -3.615
   80    HB3  PRO  10          1HB       PRO  10  -1.976 -14.231  -3.532
   81    HG2  PRO  10          2HG       PRO  10  -3.890 -13.396  -1.401
   82    HG3  PRO  10          1HG       PRO  10  -3.180 -14.987  -1.708
   83    HD2  PRO  10          2HD       PRO  10  -2.302 -13.143   0.205
   84    HD3  PRO  10          1HD       PRO  10  -1.378 -14.533  -0.393
   85    H    THR  11           H        THR  11  -2.028 -10.945  -0.620
   86    HA   THR  11           HA       THR  11  -3.925  -9.143  -1.848
   87    HB   THR  11           HB       THR  11  -3.010  -9.434   1.008
   88    HG1  THR  11          1HG       THR  11  -4.991 -10.709  -0.536
   89   HG21  THR  11          1HG2      THR  11  -4.124  -7.285   0.514
   90   HG22  THR  11          2HG2      THR  11  -5.114  -8.295   1.566
   91   HG23  THR  11          3HG2      THR  11  -5.504  -8.167  -0.149
   92    H    VAL  12           H        VAL  12  -3.384  -7.119  -2.335
   93    HA   VAL  12           HA       VAL  12  -0.986  -5.973  -1.168
   94    HB   VAL  12           HB       VAL  12  -0.302  -6.742  -3.376
   95   HG11  VAL  12          1HG1      VAL  12  -2.455  -6.873  -4.470
   96   HG12  VAL  12          2HG1      VAL  12  -1.320  -5.943  -5.445
   97   HG13  VAL  12          3HG1      VAL  12  -2.562  -5.114  -4.507
   98   HG21  VAL  12          1HG2      VAL  12  -0.663  -3.743  -3.350
   99   HG22  VAL  12          2HG2      VAL  12   0.465  -4.625  -4.380
  100   HG23  VAL  12          3HG2      VAL  12   0.673  -4.641  -2.630
  101    H    ARG  13           H        ARG  13  -1.316  -4.096  -0.323
  102    HA   ARG  13           HA       ARG  13  -3.815  -2.665  -0.991
  103    HB2  ARG  13          2HB       ARG  13  -2.312  -2.705   1.625
  104    HB3  ARG  13          1HB       ARG  13  -3.777  -1.799   1.301
  105    HG2  ARG  13          2HG       ARG  13  -5.006  -3.887   1.000
  106    HG3  ARG  13          1HG       ARG  13  -3.524  -4.799   1.304
  107    HD2  ARG  13          2HD       ARG  13  -3.357  -3.778   3.521
  108    HD3  ARG  13          1HD       ARG  13  -4.856  -2.901   3.230
  109    HE   ARG  13           HE       ARG  13  -5.580  -5.458   2.847
  110   HH11  ARG  13          1HH1      ARG  13  -3.899  -3.820   5.480
  111   HH12  ARG  13          2HH1      ARG  13  -4.462  -4.873   6.692
  112   HH21  ARG  13          1HH2      ARG  13  -6.360  -6.895   4.477
  113   HH22  ARG  13          2HH2      ARG  13  -5.928  -6.693   6.109
  114    H    CYS  14           H        CYS  14  -3.334  -0.892  -2.130
  115    HA   CYS  14           HA       CYS  14  -0.847   0.473  -1.491
  116    HB2  CYS  14          2HB       CYS  14  -2.604   0.684  -3.943
  117    HB3  CYS  14          1HB       CYS  14  -1.191   1.695  -3.652
  118    H    THR  15           H        THR  15  -0.926   2.019  -0.186
  119    HA   THR  15           HA       THR  15  -3.428   3.422   0.331
  120    HB   THR  15           HB       THR  15  -0.882   3.305   1.962
  121    HG1  THR  15          1HG       THR  15  -3.164   1.672   1.812
  122   HG21  THR  15          1HG2      THR  15  -2.284   5.235   2.485
  123   HG22  THR  15          2HG2      THR  15  -2.417   4.048   3.792
  124   HG23  THR  15          3HG2      THR  15  -3.700   4.198   2.596
  125    H    VAL  16           H        VAL  16  -3.600   5.482  -0.253
  126    HA   VAL  16           HA       VAL  16  -1.279   6.767  -1.372
  127    HB   VAL  16           HB       VAL  16  -2.848   8.545  -2.140
  128   HG11  VAL  16          1HG1      VAL  16  -3.602   5.734  -2.913
  129   HG12  VAL  16          2HG1      VAL  16  -2.300   6.700  -3.609
  130   HG13  VAL  16          3HG1      VAL  16  -3.981   7.184  -3.843
  131   HG21  VAL  16          1HG2      VAL  16  -4.989   6.736  -1.004
  132   HG22  VAL  16          2HG2      VAL  16  -5.276   8.157  -2.008
  133   HG23  VAL  16          3HG2      VAL  16  -4.563   8.338  -0.405
  134    H    ARG  17           H        ARG  17  -0.250   8.371  -0.542
  135    HA   ARG  17           HA       ARG  17  -1.267   9.713   1.843
  136    HB2  ARG  17          2HB       ARG  17   1.565   8.812   1.201
  137    HB3  ARG  17          1HB       ARG  17   1.168   9.918   2.505
  138    HG2  ARG  17          2HG       ARG  17   0.061   7.125   2.319
  139    HG3  ARG  17          1HG       ARG  17   1.548   7.529   3.181
  140    HD2  ARG  17          2HD       ARG  17  -1.155   8.756   3.740
  141    HD3  ARG  17          1HD       ARG  17  -0.440   7.429   4.658
  142    HE   ARG  17           HE       ARG  17   1.482   9.126   4.910
  143   HH11  ARG  17          1HH1      ARG  17  -1.994   9.903   5.102
  144   HH12  ARG  17          2HH1      ARG  17  -1.770  11.203   6.171
  145   HH21  ARG  17          1HH2      ARG  17   1.747  10.953   6.393
  146   HH22  ARG  17          2HH2      ARG  17   0.362  11.792   6.910
  147    HA   DPR  18           HA       DPR  18  -0.427  13.456  -0.448
  148    HB2  DPR  18          1HB       DPR  18  -2.902  12.964  -1.985
  149    HB3  DPR  18          2HB       DPR  18  -2.488  14.331  -0.948
  150    HG2  DPR  18          1HG       DPR  18  -4.301  12.490  -0.217
  151    HG3  DPR  18          2HG       DPR  18  -3.240  13.293   0.949
  152    HD2  DPR  18          1HD       DPR  18  -3.074  10.540  -0.174
  153    HD3  DPR  18          2HD       DPR  18  -2.693  11.132   1.455
  Start of MODEL   11
    1    HA   PRO   1           HA       PRO   1   1.083  12.487  -4.071
    2    HB2  PRO   1          2HB       PRO   1   3.664  13.067  -3.904
    3    HB3  PRO   1          1HB       PRO   1   2.438  14.329  -3.726
    4    HG2  PRO   1          2HG       PRO   1   4.052  12.938  -1.637
    5    HG3  PRO   1          1HG       PRO   1   3.573  14.639  -1.732
    6    HD2  PRO   1          2HD       PRO   1   2.297  12.693  -0.205
    7    HD3  PRO   1          1HD       PRO   1   1.592  14.247  -0.699
    8    H    VAL   2           H        VAL   2   1.816  10.434  -1.471
    9    HA   VAL   2           HA       VAL   2   3.525   8.802  -3.216
   10    HB   VAL   2           HB       VAL   2   3.527   8.739  -0.195
   11   HG11  VAL   2          1HG1      VAL   2   5.356   7.426  -2.202
   12   HG12  VAL   2          2HG1      VAL   2   4.145   6.614  -1.209
   13   HG13  VAL   2          3HG1      VAL   2   5.543   7.373  -0.448
   14   HG21  VAL   2          1HG2      VAL   2   5.499   9.988  -2.100
   15   HG22  VAL   2          2HG2      VAL   2   5.743   9.781  -0.369
   16   HG23  VAL   2          3HG2      VAL   2   4.456  10.841  -0.956
   17    H    THR   3           H        THR   3   2.798   6.917  -3.793
   18    HA   THR   3           HA       THR   3   0.406   5.817  -2.592
   19    HB   THR   3           HB       THR   3   2.025   4.883  -4.976
   20    HG1  THR   3          1HG       THR   3  -0.400   6.142  -5.363
   21   HG21  THR   3          1HG2      THR   3  -0.067   3.739  -5.606
   22   HG22  THR   3          2HG2      THR   3  -0.831   4.327  -4.128
   23   HG23  THR   3          3HG2      THR   3   0.511   3.187  -4.033
   24    H    TRP   4           H        TRP   4   0.821   4.556  -0.809
   25    HA   TRP   4           HA       TRP   4   3.334   3.100  -0.698
   26    HB2  TRP   4          2HB       TRP   4   1.218   3.536   1.421
   27    HB3  TRP   4          1HB       TRP   4   2.744   2.699   1.665
   28    HD1  TRP   4           HD       TRP   4   1.245   6.166   1.331
   29    HE1  TRP   4          1HE       TRP   4   3.022   7.917   2.018
   30    HE3  TRP   4          3HE       TRP   4   5.301   3.101   1.731
   31    HZ2  TRP   4          2HZ       TRP   4   5.745   7.976   2.651
   32    HZ3  TRP   4          3HZ       TRP   4   7.463   4.086   2.385
   33    HH2  TRP   4           HH       TRP   4   7.667   6.478   2.834
   34    H    CYS   5           H        CYS   5   3.063   1.327  -1.889
   35    HA   CYS   5           HA       CYS   5   0.663  -0.281  -1.548
   36    HB2  CYS   5          2HB       CYS   5   3.031  -0.641  -3.391
   37    HB3  CYS   5          1HB       CYS   5   1.597  -1.662  -3.373
   38    H    VAL   6           H        VAL   6   0.605  -1.487   0.121
   39    HA   VAL   6           HA       VAL   6   3.065  -2.788   0.983
   40    HB   VAL   6           HB       VAL   6   1.889  -3.299   3.114
   41   HG11  VAL   6          1HG1      VAL   6   1.879  -0.379   2.364
   42   HG12  VAL   6          2HG1      VAL   6   3.258  -1.301   2.965
   43   HG13  VAL   6          3HG1      VAL   6   1.868  -1.015   4.010
   44   HG21  VAL   6          1HG2      VAL   6  -0.253  -2.199   3.638
   45   HG22  VAL   6          2HG2      VAL   6  -0.424  -3.333   2.298
   46   HG23  VAL   6          3HG2      VAL   6  -0.346  -1.601   1.981
   47    H    ARG   7           H        ARG   7   3.239  -4.949   1.081
   48    HA   ARG   7           HA       ARG   7   1.103  -6.459  -0.228
   49    HB2  ARG   7          2HB       ARG   7   4.061  -7.005  -0.073
   50    HB3  ARG   7          1HB       ARG   7   2.890  -8.089  -0.791
   51    HG2  ARG   7          2HG       ARG   7   2.335  -6.307  -2.431
   52    HG3  ARG   7          1HG       ARG   7   3.646  -5.337  -1.748
   53    HD2  ARG   7          2HD       ARG   7   4.419  -6.533  -3.720
   54    HD3  ARG   7          1HD       ARG   7   5.229  -7.135  -2.272
   55    HE   ARG   7           HE       ARG   7   2.856  -8.572  -3.088
   56   HH11  ARG   7          1HH1      ARG   7   6.387  -8.445  -3.169
   57   HH12  ARG   7          2HH1      ARG   7   6.590 -10.067  -3.604
   58   HH21  ARG   7          1HH2      ARG   7   3.121 -10.832  -3.708
   59   HH22  ARG   7          2HH2      ARG   7   4.679 -11.469  -3.895
   60    H    ILE   8           H        ILE   8   0.226  -8.093   0.796
   61    HA   ILE   8           HA       ILE   8   1.531  -9.266   3.128
   62    HB   ILE   8           HB       ILE   8  -1.430  -8.525   3.075
   63   HG12  ILE   8          2HG1      ILE   8   0.775  -7.239   4.718
   64   HG13  ILE   8          1HG1      ILE   8  -0.005  -6.494   3.330
   65   HG21  ILE   8          1HG2      ILE   8  -0.933 -10.520   4.356
   66   HG22  ILE   8          2HG2      ILE   8  -1.377  -9.201   5.444
   67   HG23  ILE   8          3HG2      ILE   8   0.315  -9.661   5.258
   68   HD11  ILE   8          1HD1      ILE   8  -0.885  -5.618   5.417
   69   HD12  ILE   8          2HD1      ILE   8  -1.342  -7.245   5.921
   70   HD13  ILE   8          3HD1      ILE   8  -2.132  -6.498   4.533
   71    HA   DPR   9           HA       DPR   9  -0.117 -13.132   1.560
   72    HB2  DPR   9          1HB       DPR   9   2.074 -13.847   0.014
   73    HB3  DPR   9          2HB       DPR   9   1.944 -14.154   1.744
   74    HG2  DPR   9          1HG       DPR   9   3.366 -11.962   0.298
   75    HG3  DPR   9          2HG       DPR   9   3.861 -12.855   1.745
   76    HD2  DPR   9          1HD       DPR   9   2.868 -10.362   1.883
   77    HD3  DPR   9          2HD       DPR   9   2.537 -11.572   3.142
   78    HA   PRO  10           HA       PRO  10  -0.862 -12.514  -2.849
   79    HB2  PRO  10          2HB       PRO  10  -3.452 -13.179  -2.887
   80    HB3  PRO  10          1HB       PRO  10  -2.199 -14.402  -2.647
   81    HG2  PRO  10          2HG       PRO  10  -4.028 -13.154  -0.659
   82    HG3  PRO  10          1HG       PRO  10  -3.411 -14.811  -0.731
   83    HD2  PRO  10          2HD       PRO  10  -2.406 -12.739   0.880
   84    HD3  PRO  10          1HD       PRO  10  -1.593 -14.275   0.523
   85    H    THR  11           H        THR  11  -1.898 -10.699  -0.244
   86    HA   THR  11           HA       THR  11  -3.729  -9.021  -1.733
   87    HB   THR  11           HB       THR  11  -2.812  -8.760   1.130
   88    HG1  THR  11          1HG       THR  11  -4.851 -10.313  -0.064
   89   HG21  THR  11          1HG2      THR  11  -3.953  -6.804   0.223
   90   HG22  THR  11          2HG2      THR  11  -5.021  -7.630   1.366
   91   HG23  THR  11          3HG2      THR  11  -5.260  -7.822  -0.367
   92    H    VAL  12           H        VAL  12  -3.099  -7.108  -2.557
   93    HA   VAL  12           HA       VAL  12  -0.799  -5.809  -1.367
   94    HB   VAL  12           HB       VAL  12  -0.041  -6.684  -3.539
   95   HG11  VAL  12          1HG1      VAL  12  -0.998  -5.930  -5.665
   96   HG12  VAL  12          2HG1      VAL  12  -2.296  -5.128  -4.779
   97   HG13  VAL  12          3HG1      VAL  12  -2.138  -6.884  -4.713
   98   HG21  VAL  12          1HG2      VAL  12   0.880  -4.552  -2.817
   99   HG22  VAL  12          2HG2      VAL  12  -0.431  -3.692  -3.622
  100   HG23  VAL  12          3HG2      VAL  12   0.742  -4.599  -4.575
  101    H    ARG  13           H        ARG  13  -1.259  -3.895  -0.615
  102    HA   ARG  13           HA       ARG  13  -3.741  -2.659  -1.557
  103    HB2  ARG  13          2HB       ARG  13  -3.976  -3.630   0.701
  104    HB3  ARG  13          1HB       ARG  13  -2.634  -2.645   1.258
  105    HG2  ARG  13          2HG       ARG  13  -4.742  -1.673   1.948
  106    HG3  ARG  13          1HG       ARG  13  -3.936  -0.620   0.784
  107    HD2  ARG  13          2HD       ARG  13  -6.330  -0.780   0.299
  108    HD3  ARG  13          1HD       ARG  13  -5.383  -1.495  -1.002
  109    HE   ARG  13           HE       ARG  13  -6.247  -3.341   1.015
  110   HH11  ARG  13          1HH1      ARG  13  -7.158  -1.819  -2.064
  111   HH12  ARG  13          2HH1      ARG  13  -8.226  -3.085  -2.506
  112   HH21  ARG  13          1HH2      ARG  13  -7.732  -5.008   0.422
  113   HH22  ARG  13          2HH2      ARG  13  -8.578  -4.930  -1.056
  114    H    CYS  14           H        CYS  14  -3.256  -0.914  -2.650
  115    HA   CYS  14           HA       CYS  14  -0.920   0.622  -1.928
  116    HB2  CYS  14          2HB       CYS  14  -2.776   0.787  -4.296
  117    HB3  CYS  14          1HB       CYS  14  -1.401   1.859  -4.031
  118    H    THR  15           H        THR  15  -1.226   1.779  -0.287
  119    HA   THR  15           HA       THR  15  -3.673   3.298   0.011
  120    HB   THR  15           HB       THR  15  -1.371   2.987   1.928
  121    HG1  THR  15          1HG       THR  15  -3.709   1.424   1.510
  122   HG21  THR  15          1HG2      THR  15  -2.967   4.792   2.398
  123   HG22  THR  15          2HG2      THR  15  -3.087   3.511   3.603
  124   HG23  THR  15          3HG2      THR  15  -4.297   3.636   2.327
  125    H    VAL  16           H        VAL  16  -3.512   5.249  -0.899
  126    HA   VAL  16           HA       VAL  16  -0.898   6.418  -1.288
  127    HB   VAL  16           HB       VAL  16  -2.308   6.332  -3.281
  128   HG11  VAL  16          1HG1      VAL  16  -4.505   6.405  -2.316
  129   HG12  VAL  16          2HG1      VAL  16  -4.337   7.692  -3.511
  130   HG13  VAL  16          3HG1      VAL  16  -4.254   8.069  -1.791
  131   HG21  VAL  16          1HG2      VAL  16  -2.180   8.687  -3.993
  132   HG22  VAL  16          2HG2      VAL  16  -0.723   8.166  -3.149
  133   HG23  VAL  16          3HG2      VAL  16  -1.913   9.164  -2.315
  134    H    ARG  17           H        ARG  17  -0.102   7.857  -0.089
  135    HA   ARG  17           HA       ARG  17  -1.867   9.435   1.629
  136    HB2  ARG  17          2HB       ARG  17   0.961   8.502   2.150
  137    HB3  ARG  17          1HB       ARG  17   0.064   9.599   3.192
  138    HG2  ARG  17          2HG       ARG  17  -0.629   6.734   2.589
  139    HG3  ARG  17          1HG       ARG  17   0.066   7.349   4.086
  140    HD2  ARG  17          2HD       ARG  17  -1.955   8.745   4.398
  141    HD3  ARG  17          1HD       ARG  17  -2.644   8.013   2.946
  142    HE   ARG  17           HE       ARG  17  -1.785   6.234   5.054
  143   HH11  ARG  17          1HH1      ARG  17  -4.516   7.791   3.415
  144   HH12  ARG  17          2HH1      ARG  17  -5.688   6.781   4.102
  145   HH21  ARG  17          1HH2      ARG  17  -3.380   4.873   6.024
  146   HH22  ARG  17          2HH2      ARG  17  -5.026   5.100   5.648
  147    HA   DPR  18           HA       DPR  18   0.026  13.161   0.233
  148    HB2  DPR  18          1HB       DPR  18  -2.030  13.914  -1.459
  149    HB3  DPR  18          2HB       DPR  18  -2.035  14.202   0.283
  150    HG2  DPR  18          1HG       DPR  18  -3.362  12.040  -1.286
  151    HG3  DPR  18          2HG       DPR  18  -3.967  12.947   0.111
  152    HD2  DPR  18          1HD       DPR  18  -3.015  10.451   0.319
  153    HD3  DPR  18          2HD       DPR  18  -2.795  11.647   1.615
  Start of MODEL   12
    1    HA   PRO   1           HA       PRO   1   0.154  12.188  -3.772
    2    HB2  PRO   1          2HB       PRO   1   2.572  13.105  -4.386
    3    HB3  PRO   1          1HB       PRO   1   1.271  14.202  -3.909
    4    HG2  PRO   1          2HG       PRO   1   3.613  13.258  -2.328
    5    HG3  PRO   1          1HG       PRO   1   2.817  14.839  -2.321
    6    HD2  PRO   1          2HD       PRO   1   2.403  12.760  -0.471
    7    HD3  PRO   1          1HD       PRO   1   1.381  14.197  -0.688
    8    H    VAL   2           H        VAL   2   1.655  10.401  -1.438
    9    HA   VAL   2           HA       VAL   2   3.330   8.959  -3.356
   10    HB   VAL   2           HB       VAL   2   3.436   8.770  -0.331
   11   HG11  VAL   2          1HG1      VAL   2   5.553   7.585  -0.696
   12   HG12  VAL   2          2HG1      VAL   2   5.309   7.689  -2.439
   13   HG13  VAL   2          3HG1      VAL   2   4.203   6.734  -1.450
   14   HG21  VAL   2          1HG2      VAL   2   5.509  10.043  -0.479
   15   HG22  VAL   2          2HG2      VAL   2   4.157  10.973  -1.134
   16   HG23  VAL   2          3HG2      VAL   2   5.302  10.187  -2.223
   17    H    THR   3           H        THR   3   2.606   7.140  -4.110
   18    HA   THR   3           HA       THR   3   0.389   5.746  -2.912
   19    HB   THR   3           HB       THR   3   2.112   4.912  -5.266
   20    HG1  THR   3          1HG       THR   3   0.777   6.035  -6.556
   21   HG21  THR   3          1HG2      THR   3  -0.753   4.278  -4.530
   22   HG22  THR   3          2HG2      THR   3   0.619   3.180  -4.373
   23   HG23  THR   3          3HG2      THR   3   0.089   3.707  -5.970
   24    H    TRP   4           H        TRP   4   0.802   4.322  -1.274
   25    HA   TRP   4           HA       TRP   4   3.383   2.971  -1.235
   26    HB2  TRP   4          2HB       TRP   4   1.437   3.614   0.957
   27    HB3  TRP   4          1HB       TRP   4   2.664   2.369   1.155
   28    HD1  TRP   4           HD       TRP   4   2.175   6.077   1.271
   29    HE1  TRP   4          1HE       TRP   4   4.430   7.212   1.850
   30    HE3  TRP   4          3HE       TRP   4   5.265   2.057   0.703
   31    HZ2  TRP   4          2HZ       TRP   4   7.160   6.469   2.021
   32    HZ3  TRP   4          3HZ       TRP   4   7.677   2.349   1.081
   33    HH2  TRP   4           HH       TRP   4   8.595   4.513   1.727
   34    H    CYS   5           H        CYS   5   3.159   1.232  -2.419
   35    HA   CYS   5           HA       CYS   5   0.818  -0.433  -2.038
   36    HB2  CYS   5          2HB       CYS   5   3.144  -0.693  -3.953
   37    HB3  CYS   5          1HB       CYS   5   1.773  -1.795  -3.885
   38    H    VAL   6           H        VAL   6   0.872  -1.408  -0.228
   39    HA   VAL   6           HA       VAL   6   3.342  -2.705   0.616
   40    HB   VAL   6           HB       VAL   6   2.227  -2.941   2.853
   41   HG11  VAL   6          1HG1      VAL   6   2.344  -0.129   1.768
   42   HG12  VAL   6          2HG1      VAL   6   3.694  -1.049   2.436
   43   HG13  VAL   6          3HG1      VAL   6   2.354  -0.565   3.477
   44   HG21  VAL   6          1HG2      VAL   6   0.184  -1.680   3.326
   45   HG22  VAL   6          2HG2      VAL   6  -0.105  -2.912   2.095
   46   HG23  VAL   6          3HG2      VAL   6   0.067  -1.223   1.627
   47    H    ARG   7           H        ARG   7   3.313  -4.882   1.238
   48    HA   ARG   7           HA       ARG   7   1.325  -6.396  -0.291
   49    HB2  ARG   7          2HB       ARG   7   4.100  -7.122   0.618
   50    HB3  ARG   7          1HB       ARG   7   3.019  -8.215  -0.221
   51    HG2  ARG   7          2HG       ARG   7   3.029  -6.763  -2.171
   52    HG3  ARG   7          1HG       ARG   7   4.057  -5.609  -1.320
   53    HD2  ARG   7          2HD       ARG   7   5.357  -7.020  -2.840
   54    HD3  ARG   7          1HD       ARG   7   5.810  -7.273  -1.153
   55    HE   ARG   7           HE       ARG   7   3.832  -9.117  -1.939
   56   HH11  ARG   7          1HH1      ARG   7   7.269  -8.463  -2.392
   57   HH12  ARG   7          2HH1      ARG   7   7.703 -10.104  -2.598
   58   HH21  ARG   7          1HH2      ARG   7   4.431 -11.370  -2.204
   59   HH22  ARG   7          2HH2      ARG   7   6.069 -11.784  -2.459
   60    H    ILE   8           H        ILE   8  -0.171  -7.479   0.810
   61    HA   ILE   8           HA       ILE   8   0.542  -8.460   3.473
   62    HB   ILE   8           HB       ILE   8  -2.257  -7.671   2.528
   63   HG12  ILE   8          2HG1      ILE   8  -2.116  -6.075   4.556
   64   HG13  ILE   8          1HG1      ILE   8  -0.382  -6.335   4.475
   65   HG21  ILE   8          1HG2      ILE   8  -1.383  -8.747   5.205
   66   HG22  ILE   8          2HG2      ILE   8  -2.344  -9.594   3.993
   67   HG23  ILE   8          3HG2      ILE   8  -3.004  -8.178   4.812
   68   HD11  ILE   8          1HD1      ILE   8  -1.038  -4.273   3.395
   69   HD12  ILE   8          2HD1      ILE   8  -2.088  -5.166   2.295
   70   HD13  ILE   8          3HD1      ILE   8  -0.340  -5.400   2.233
   71    HA   DPR   9           HA       DPR   9  -0.722 -12.577   2.314
   72    HB2  DPR   9          1HB       DPR   9   2.128 -12.771   1.441
   73    HB3  DPR   9          2HB       DPR   9   1.210 -13.845   2.503
   74    HG2  DPR   9          1HG       DPR   9   2.996 -12.170   3.518
   75    HG3  DPR   9          2HG       DPR   9   1.444 -12.440   4.335
   76    HD2  DPR   9          1HD       DPR   9   2.330 -10.124   2.661
   77    HD3  DPR   9          2HD       DPR   9   1.357 -10.156   4.147
   78    HA   PRO  10           HA       PRO  10  -0.530 -12.810  -2.170
   79    HB2  PRO  10          2HB       PRO  10  -3.071 -13.458  -2.624
   80    HB3  PRO  10          1HB       PRO  10  -1.964 -14.600  -1.853
   81    HG2  PRO  10          2HG       PRO  10  -4.081 -12.891  -0.619
   82    HG3  PRO  10          1HG       PRO  10  -3.614 -14.555  -0.227
   83    HD2  PRO  10          2HD       PRO  10  -2.795 -12.280   1.160
   84    HD3  PRO  10          1HD       PRO  10  -1.999 -13.865   1.218
   85    H    THR  11           H        THR  11  -1.984 -10.334  -0.358
   86    HA   THR  11           HA       THR  11  -3.166  -9.139  -2.770
   87    HB   THR  11           HB       THR  11  -3.885  -8.453   0.062
   88    HG1  THR  11          1HG       THR  11  -4.604 -10.606  -1.570
   89   HG21  THR  11          1HG2      THR  11  -5.963  -7.659  -1.010
   90   HG22  THR  11          2HG2      THR  11  -5.342  -8.169  -2.577
   91   HG23  THR  11          3HG2      THR  11  -4.549  -6.864  -1.701
   92    H    VAL  12           H        VAL  12  -2.200  -7.355  -3.480
   93    HA   VAL  12           HA       VAL  12  -0.353  -5.896  -1.776
   94    HB   VAL  12           HB       VAL  12  -1.049  -5.482  -4.712
   95   HG11  VAL  12          1HG1      VAL  12   1.203  -4.317  -3.073
   96   HG12  VAL  12          2HG1      VAL  12  -0.202  -3.443  -3.681
   97   HG13  VAL  12          3HG1      VAL  12   0.982  -4.105  -4.810
   98   HG21  VAL  12          1HG2      VAL  12   1.126  -6.523  -5.199
   99   HG22  VAL  12          2HG2      VAL  12   0.040  -7.637  -4.366
  100   HG23  VAL  12          3HG2      VAL  12   1.344  -6.850  -3.480
  101    H    ARG  13           H        ARG  13  -0.884  -4.007  -0.889
  102    HA   ARG  13           HA       ARG  13  -3.519  -2.858  -1.529
  103    HB2  ARG  13          2HB       ARG  13  -3.287  -3.913   0.722
  104    HB3  ARG  13          1HB       ARG  13  -1.988  -2.795   1.073
  105    HG2  ARG  13          2HG       ARG  13  -4.023  -2.061   2.137
  106    HG3  ARG  13          1HG       ARG  13  -3.562  -0.918   0.877
  107    HD2  ARG  13          2HD       ARG  13  -5.993  -1.451   0.934
  108    HD3  ARG  13          1HD       ARG  13  -5.226  -1.791  -0.616
  109    HE   ARG  13           HE       ARG  13  -5.069  -4.165   0.363
  110   HH11  ARG  13          1HH1      ARG  13  -7.808  -2.003   1.002
  111   HH12  ARG  13          2HH1      ARG  13  -8.939  -3.274   1.090
  112   HH21  ARG  13          1HH2      ARG  13  -6.604  -5.842   0.458
  113   HH22  ARG  13          2HH2      ARG  13  -8.243  -5.503   0.765
  114    H    CYS  14           H        CYS  14  -3.121  -1.076  -2.742
  115    HA   CYS  14           HA       CYS  14  -0.797   0.527  -2.089
  116    HB2  CYS  14          2HB       CYS  14  -2.728   0.758  -4.400
  117    HB3  CYS  14          1HB       CYS  14  -1.294   1.758  -4.172
  118    H    THR  15           H        THR  15  -1.124   1.582  -0.365
  119    HA   THR  15           HA       THR  15  -3.568   3.032   0.160
  120    HB   THR  15           HB       THR  15  -0.983   2.792   1.726
  121    HG1  THR  15          1HG       THR  15  -3.398   1.302   1.818
  122   HG21  THR  15          1HG2      THR  15  -2.376   3.441   3.649
  123   HG22  THR  15          2HG2      THR  15  -3.768   3.601   2.581
  124   HG23  THR  15          3HG2      THR  15  -2.394   4.692   2.407
  125    H    VAL  16           H        VAL  16  -3.668   5.274  -0.115
  126    HA   VAL  16           HA       VAL  16  -1.250   6.468  -1.191
  127    HB   VAL  16           HB       VAL  16  -2.714   8.344  -2.007
  128   HG11  VAL  16          1HG1      VAL  16  -2.057   6.544  -3.501
  129   HG12  VAL  16          2HG1      VAL  16  -3.702   7.067  -3.862
  130   HG13  VAL  16          3HG1      VAL  16  -3.428   5.574  -2.964
  131   HG21  VAL  16          1HG2      VAL  16  -5.142   7.994  -2.106
  132   HG22  VAL  16          2HG2      VAL  16  -4.585   8.063  -0.433
  133   HG23  VAL  16          3HG2      VAL  16  -4.967   6.509  -1.174
  134    H    ARG  17           H        ARG  17  -0.052   7.670  -0.017
  135    HA   ARG  17           HA       ARG  17  -1.258   9.078   2.259
  136    HB2  ARG  17          2HB       ARG  17   1.589   8.081   1.938
  137    HB3  ARG  17          1HB       ARG  17   1.020   9.065   3.275
  138    HG2  ARG  17          2HG       ARG  17   0.081   6.286   2.606
  139    HG3  ARG  17          1HG       ARG  17   1.177   6.740   3.916
  140    HD2  ARG  17          2HD       ARG  17  -0.579   8.075   4.940
  141    HD3  ARG  17          1HD       ARG  17  -1.675   7.678   3.618
  142    HE   ARG  17           HE       ARG  17  -0.584   5.445   5.051
  143   HH11  ARG  17          1HH1      ARG  17  -3.271   7.749   4.765
  144   HH12  ARG  17          2HH1      ARG  17  -4.381   6.803   5.621
  145   HH21  ARG  17          1HH2      ARG  17  -2.115   4.145   6.249
  146   HH22  ARG  17          2HH2      ARG  17  -3.720   4.666   6.471
  147    HA   DPR  18           HA       DPR  18   0.360  12.913   0.681
  148    HB2  DPR  18          1HB       DPR  18  -2.397  13.169  -0.392
  149    HB3  DPR  18          2HB       DPR  18  -1.501  14.282   0.646
  150    HG2  DPR  18          1HG       DPR  18  -3.515  12.799   1.592
  151    HG3  DPR  18          2HG       DPR  18  -2.078  13.163   2.565
  152    HD2  DPR  18          1HD       DPR  18  -2.827  10.631   1.188
  153    HD3  DPR  18          2HD       DPR  18  -1.991  10.896   2.732
  Start of MODEL   13
    1    HA   PRO   1           HA       PRO   1   0.682  12.719  -2.915
    2    HB2  PRO   1          2HB       PRO   1   3.207  13.414  -3.166
    3    HB3  PRO   1          1HB       PRO   1   2.055  14.525  -2.413
    4    HG2  PRO   1          2HG       PRO   1   4.174  12.855  -1.152
    5    HG3  PRO   1          1HG       PRO   1   3.554  14.436  -0.657
    6    HD2  PRO   1          2HD       PRO   1   2.794  11.887   0.375
    7    HD3  PRO   1          1HD       PRO   1   2.070  13.469   0.737
    8    H    VAL   2           H        VAL   2   1.680  10.150  -1.062
    9    HA   VAL   2           HA       VAL   2   3.276   8.957  -3.237
   10    HB   VAL   2           HB       VAL   2   3.501   8.348  -0.272
   11   HG11  VAL   2          1HG1      VAL   2   5.167   7.401  -2.596
   12   HG12  VAL   2          2HG1      VAL   2   4.046   6.426  -1.647
   13   HG13  VAL   2          3HG1      VAL   2   5.504   7.077  -0.894
   14   HG21  VAL   2          1HG2      VAL   2   5.691   9.444  -0.378
   15   HG22  VAL   2          2HG2      VAL   2   4.381  10.564  -0.758
   16   HG23  VAL   2          3HG2      VAL   2   5.376   9.897  -2.053
   17    H    THR   3           H        THR   3   2.715   6.916  -3.924
   18    HA   THR   3           HA       THR   3   0.338   5.755  -2.703
   19    HB   THR   3           HB       THR   3   1.558   5.184  -5.420
   20    HG1  THR   3          1HG       THR   3   0.710   7.350  -5.059
   21   HG21  THR   3          1HG2      THR   3   0.147   3.373  -4.512
   22   HG22  THR   3          2HG2      THR   3  -0.627   4.152  -5.893
   23   HG23  THR   3          3HG2      THR   3  -1.163   4.526  -4.254
   24    H    TRP   4           H        TRP   4   0.958   4.379  -1.171
   25    HA   TRP   4           HA       TRP   4   3.426   2.865  -1.427
   26    HB2  TRP   4          2HB       TRP   4   1.432   3.015   0.838
   27    HB3  TRP   4          1HB       TRP   4   2.974   2.176   0.882
   28    HD1  TRP   4           HD       TRP   4   1.412   5.585   1.234
   29    HE1  TRP   4          1HE       TRP   4   3.204   7.257   2.050
   30    HE3  TRP   4          3HE       TRP   4   5.550   2.664   0.671
   31    HZ2  TRP   4          2HZ       TRP   4   5.985   7.318   2.392
   32    HZ3  TRP   4          3HZ       TRP   4   7.746   3.599   1.264
   33    HH2  TRP   4           HH       TRP   4   7.955   5.884   2.107
   34    H    CYS   5           H        CYS   5   3.297   0.987  -2.441
   35    HA   CYS   5           HA       CYS   5   0.838  -0.558  -2.212
   36    HB2  CYS   5          2HB       CYS   5   3.233  -0.939  -4.024
   37    HB3  CYS   5          1HB       CYS   5   1.830  -1.999  -3.983
   38    H    VAL   6           H        VAL   6   0.821  -1.554  -0.383
   39    HA   VAL   6           HA       VAL   6   3.249  -2.890   0.501
   40    HB   VAL   6           HB       VAL   6   2.100  -3.177   2.700
   41   HG11  VAL   6          1HG1      VAL   6   2.182  -0.819   3.390
   42   HG12  VAL   6          2HG1      VAL   6   2.217  -0.340   1.693
   43   HG13  VAL   6          3HG1      VAL   6   3.550  -1.273   2.374
   44   HG21  VAL   6          1HG2      VAL   6  -0.083  -1.471   1.478
   45   HG22  VAL   6          2HG2      VAL   6   0.029  -1.930   3.178
   46   HG23  VAL   6          3HG2      VAL   6  -0.231  -3.166   1.946
   47    H    ARG   7           H        ARG   7   3.417  -5.009   0.567
   48    HA   ARG   7           HA       ARG   7   1.122  -6.479  -0.421
   49    HB2  ARG   7          2HB       ARG   7   2.795  -8.216  -1.177
   50    HB3  ARG   7          1HB       ARG   7   2.888  -6.678  -2.012
   51    HG2  ARG   7          2HG       ARG   7   4.812  -6.066  -0.574
   52    HG3  ARG   7          1HG       ARG   7   4.728  -7.675   0.147
   53    HD2  ARG   7          2HD       ARG   7   5.157  -7.096  -2.780
   54    HD3  ARG   7          1HD       ARG   7   6.434  -7.491  -1.637
   55    HE   ARG   7           HE       ARG   7   5.166  -9.623  -1.306
   56   HH11  ARG   7          1HH1      ARG   7   5.063  -7.884  -4.416
   57   HH12  ARG   7          2HH1      ARG   7   4.858  -9.280  -5.355
   58   HH21  ARG   7          1HH2      ARG   7   4.946 -11.546  -2.622
   59   HH22  ARG   7          2HH2      ARG   7   4.805 -11.427  -4.322
   60    H    ILE   8           H        ILE   8   0.059  -7.123   1.181
   61    HA   ILE   8           HA       ILE   8   1.418  -8.372   3.448
   62    HB   ILE   8           HB       ILE   8  -1.411  -7.253   3.246
   63   HG12  ILE   8          2HG1      ILE   8   1.010  -6.137   4.688
   64   HG13  ILE   8          1HG1      ILE   8   0.370  -5.522   3.170
   65   HG21  ILE   8          1HG2      ILE   8   0.118  -8.252   5.655
   66   HG22  ILE   8          2HG2      ILE   8  -1.198  -9.114   4.858
   67   HG23  ILE   8          3HG2      ILE   8  -1.513  -7.580   5.671
   68   HD11  ILE   8          1HD1      ILE   8  -1.697  -4.906   4.294
   69   HD12  ILE   8          2HD1      ILE   8  -0.298  -4.143   5.052
   70   HD13  ILE   8          3HD1      ILE   8  -1.065  -5.538   5.814
   71    HA   DPR   9           HA       DPR   9  -0.711 -12.254   2.602
   72    HB2  DPR   9          1HB       DPR   9   1.971 -12.974   1.533
   73    HB3  DPR   9          2HB       DPR   9   0.981 -13.824   2.724
   74    HG2  DPR   9          1HG       DPR   9   3.139 -12.473   3.471
   75    HG3  DPR   9          2HG       DPR   9   1.666 -12.450   4.456
   76    HD2  DPR   9          1HD       DPR   9   2.727 -10.362   2.587
   77    HD3  DPR   9          2HD       DPR   9   1.972 -10.178   4.184
   78    HA   PRO  10           HA       PRO  10  -0.612 -12.319  -1.909
   79    HB2  PRO  10          2HB       PRO  10  -3.084 -13.292  -2.255
   80    HB3  PRO  10          1HB       PRO  10  -1.742 -14.323  -1.756
   81    HG2  PRO  10          2HG       PRO  10  -4.039 -13.349  -0.183
   82    HG3  PRO  10          1HG       PRO  10  -3.021 -14.772   0.067
   83    HD2  PRO  10          2HD       PRO  10  -2.854 -12.232   1.383
   84    HD3  PRO  10          1HD       PRO  10  -1.819 -13.659   1.605
   85    H    THR  11           H        THR  11  -1.772 -10.091   0.101
   86    HA   THR  11           HA       THR  11  -3.557  -8.876  -1.875
   87    HB   THR  11           HB       THR  11  -3.317  -8.201   1.035
   88    HG1  THR  11          1HG       THR  11  -4.558 -10.304  -0.277
   89   HG21  THR  11          1HG2      THR  11  -5.492  -7.707  -1.013
   90   HG22  THR  11          2HG2      THR  11  -4.370  -6.499  -0.390
   91   HG23  THR  11          3HG2      THR  11  -5.566  -7.230   0.684
   92    H    VAL  12           H        VAL  12  -2.685  -7.248  -2.906
   93    HA   VAL  12           HA       VAL  12  -0.478  -5.746  -1.699
   94    HB   VAL  12           HB       VAL  12  -1.268  -5.869  -4.630
   95   HG11  VAL  12          1HG1      VAL  12   0.862  -4.753  -5.039
   96   HG12  VAL  12          2HG1      VAL  12   1.175  -4.691  -3.305
   97   HG13  VAL  12          3HG1      VAL  12  -0.173  -3.782  -3.993
   98   HG21  VAL  12          1HG2      VAL  12  -0.393  -8.033  -3.910
   99   HG22  VAL  12          2HG2      VAL  12   1.027  -7.246  -3.223
  100   HG23  VAL  12          3HG2      VAL  12   0.763  -7.220  -4.967
  101    H    ARG  13           H        ARG  13  -1.220  -4.008  -0.777
  102    HA   ARG  13           HA       ARG  13  -3.576  -2.684  -1.920
  103    HB2  ARG  13          2HB       ARG  13  -2.403  -2.490   0.840
  104    HB3  ARG  13          1HB       ARG  13  -3.764  -1.548   0.262
  105    HG2  ARG  13          2HG       ARG  13  -5.020  -3.645  -0.081
  106    HG3  ARG  13          1HG       ARG  13  -3.657  -4.529   0.616
  107    HD2  ARG  13          2HD       ARG  13  -5.367  -4.089   2.306
  108    HD3  ARG  13          1HD       ARG  13  -3.852  -3.251   2.661
  109    HE   ARG  13           HE       ARG  13  -6.006  -1.853   1.278
  110   HH11  ARG  13          1HH1      ARG  13  -4.055  -2.213   4.205
  111   HH12  ARG  13          2HH1      ARG  13  -4.390  -0.657   4.806
  112   HH21  ARG  13          1HH2      ARG  13  -6.505   0.293   2.131
  113   HH22  ARG  13          2HH2      ARG  13  -5.813   0.793   3.599
  114    H    CYS  14           H        CYS  14  -3.087  -1.058  -3.147
  115    HA   CYS  14           HA       CYS  14  -0.738   0.539  -2.552
  116    HB2  CYS  14          2HB       CYS  14  -2.566   0.519  -4.963
  117    HB3  CYS  14          1HB       CYS  14  -1.157   1.558  -4.776
  118    H    THR  15           H        THR  15  -1.350   1.652  -0.830
  119    HA   THR  15           HA       THR  15  -3.837   3.165  -0.928
  120    HB   THR  15           HB       THR  15  -1.861   2.939   1.355
  121    HG1  THR  15          1HG       THR  15  -3.755   1.172   0.368
  122   HG21  THR  15          1HG2      THR  15  -4.801   3.663   1.271
  123   HG22  THR  15          2HG2      THR  15  -3.476   4.810   1.439
  124   HG23  THR  15          3HG2      THR  15  -3.781   3.634   2.712
  125    H    VAL  16           H        VAL  16  -3.796   5.274  -1.434
  126    HA   VAL  16           HA       VAL  16  -1.255   6.549  -1.748
  127    HB   VAL  16           HB       VAL  16  -2.912   6.927  -3.501
  128   HG11  VAL  16          1HG1      VAL  16  -4.973   6.697  -2.276
  129   HG12  VAL  16          2HG1      VAL  16  -4.950   8.247  -3.120
  130   HG13  VAL  16          3HG1      VAL  16  -4.644   8.182  -1.387
  131   HG21  VAL  16          1HG2      VAL  16  -1.316   8.711  -3.115
  132   HG22  VAL  16          2HG2      VAL  16  -2.383   9.439  -1.914
  133   HG23  VAL  16          3HG2      VAL  16  -2.868   9.389  -3.609
  134    H    ARG  17           H        ARG  17  -0.293   7.491  -0.205
  135    HA   ARG  17           HA       ARG  17  -1.870   8.680   1.942
  136    HB2  ARG  17          2HB       ARG  17   0.879   7.425   2.120
  137    HB3  ARG  17          1HB       ARG  17   0.072   8.276   3.420
  138    HG2  ARG  17          2HG       ARG  17  -0.781   5.673   2.165
  139    HG3  ARG  17          1HG       ARG  17  -0.134   5.916   3.788
  140    HD2  ARG  17          2HD       ARG  17  -2.785   6.866   2.702
  141    HD3  ARG  17          1HD       ARG  17  -2.516   5.660   3.955
  142    HE   ARG  17           HE       ARG  17  -1.324   7.951   4.861
  143   HH11  ARG  17          1HH1      ARG  17  -4.624   6.919   4.086
  144   HH12  ARG  17          2HH1      ARG  17  -5.356   8.155   4.993
  145   HH21  ARG  17          1HH2      ARG  17  -2.344   9.626   6.098
  146   HH22  ARG  17          2HH2      ARG  17  -4.040   9.714   6.169
  147    HA   DPR  18           HA       DPR  18   0.626  12.366   1.597
  148    HB2  DPR  18          1HB       DPR  18  -1.951  13.450   0.602
  149    HB3  DPR  18          2HB       DPR  18  -0.911  14.042   1.895
  150    HG2  DPR  18          1HG       DPR  18  -3.235  12.811   2.416
  151    HG3  DPR  18          2HG       DPR  18  -1.820  12.619   3.465
  152    HD2  DPR  18          1HD       DPR  18  -2.957  10.739   1.447
  153    HD3  DPR  18          2HD       DPR  18  -2.186  10.403   3.012
  Start of MODEL   14
    1    HA   PRO   1           HA       PRO   1   0.711  12.340  -4.177
    2    HB2  PRO   1          2HB       PRO   1   3.265  13.055  -4.321
    3    HB3  PRO   1          1HB       PRO   1   2.000  14.261  -4.055
    4    HG2  PRO   1          2HG       PRO   1   3.910  13.059  -2.101
    5    HG3  PRO   1          1HG       PRO   1   3.319  14.724  -2.208
    6    HD2  PRO   1          2HD       PRO   1   2.336  12.757  -0.481
    7    HD3  PRO   1          1HD       PRO   1   1.505  14.263  -0.923
    8    H    VAL   2           H        VAL   2   1.791  10.482  -1.570
    9    HA   VAL   2           HA       VAL   2   3.475   8.827  -3.324
   10    HB   VAL   2           HB       VAL   2   3.542   8.833  -0.302
   11   HG11  VAL   2          1HG1      VAL   2   5.432   7.660  -2.341
   12   HG12  VAL   2          2HG1      VAL   2   4.315   6.762  -1.315
   13   HG13  VAL   2          3HG1      VAL   2   5.665   7.638  -0.593
   14   HG21  VAL   2          1HG2      VAL   2   4.273  11.004  -1.124
   15   HG22  VAL   2          2HG2      VAL   2   5.407  10.221  -2.225
   16   HG23  VAL   2          3HG2      VAL   2   5.634  10.088  -0.480
   17    H    THR   3           H        THR   3   2.763   6.923  -3.846
   18    HA   THR   3           HA       THR   3   0.479   5.820  -2.404
   19    HB   THR   3           HB       THR   3   1.613   4.936  -5.066
   20    HG1  THR   3          1HG       THR   3   0.944   6.989  -5.411
   21   HG21  THR   3          1HG2      THR   3  -1.101   4.552  -3.777
   22   HG22  THR   3          2HG2      THR   3   0.150   3.316  -3.924
   23   HG23  THR   3          3HG2      THR   3  -0.627   3.961  -5.370
   24    H    TRP   4           H        TRP   4   1.046   4.401  -0.861
   25    HA   TRP   4           HA       TRP   4   3.498   2.841  -1.165
   26    HB2  TRP   4          2HB       TRP   4   1.682   3.227   1.228
   27    HB3  TRP   4          1HB       TRP   4   3.161   2.281   1.221
   28    HD1  TRP   4           HD       TRP   4   1.869   5.812   1.510
   29    HE1  TRP   4          1HE       TRP   4   3.844   7.393   2.083
   30    HE3  TRP   4          3HE       TRP   4   5.748   2.574   0.780
   31    HZ2  TRP   4          2HZ       TRP   4   6.647   7.267   2.194
   32    HZ3  TRP   4          3HZ       TRP   4   8.045   3.383   1.133
   33    HH2  TRP   4           HH       TRP   4   8.478   5.678   1.825
   34    H    CYS   5           H        CYS   5   3.044   1.032  -2.317
   35    HA   CYS   5           HA       CYS   5   0.602  -0.393  -1.654
   36    HB2  CYS   5          2HB       CYS   5   2.625  -0.962  -3.847
   37    HB3  CYS   5          1HB       CYS   5   1.116  -1.826  -3.595
   38    H    VAL   6           H        VAL   6   0.729  -1.506   0.052
   39    HA   VAL   6           HA       VAL   6   3.211  -2.890   0.727
   40    HB   VAL   6           HB       VAL   6   2.182  -3.208   2.976
   41   HG11  VAL   6          1HG1      VAL   6   2.194  -0.345   2.029
   42   HG12  VAL   6          2HG1      VAL   6   3.593  -1.270   2.573
   43   HG13  VAL   6          3HG1      VAL   6   2.303  -0.874   3.708
   44   HG21  VAL   6          1HG2      VAL   6  -0.073  -1.525   1.868
   45   HG22  VAL   6          2HG2      VAL   6   0.121  -1.977   3.558
   46   HG23  VAL   6          3HG2      VAL   6  -0.177  -3.220   2.342
   47    H    ARG   7           H        ARG   7   2.971  -5.122   1.535
   48    HA   ARG   7           HA       ARG   7   0.856  -6.421  -0.006
   49    HB2  ARG   7          2HB       ARG   7   2.358  -8.287  -0.427
   50    HB3  ARG   7          1HB       ARG   7   3.041  -6.785  -1.027
   51    HG2  ARG   7          2HG       ARG   7   4.479  -6.670   0.967
   52    HG3  ARG   7          1HG       ARG   7   3.817  -8.212   1.512
   53    HD2  ARG   7          2HD       ARG   7   5.941  -8.592   0.427
   54    HD3  ARG   7          1HD       ARG   7   4.651  -9.248  -0.570
   55    HE   ARG   7           HE       ARG   7   4.855  -7.353  -2.011
   56   HH11  ARG   7          1HH1      ARG   7   7.552  -7.770   0.275
   57   HH12  ARG   7          2HH1      ARG   7   8.674  -6.942  -0.683
   58   HH21  ARG   7          1HH2      ARG   7   6.414  -6.179  -3.307
   59   HH22  ARG   7          2HH2      ARG   7   8.000  -5.987  -2.762
   60    H    ILE   8           H        ILE   8  -0.387  -7.801   0.922
   61    HA   ILE   8           HA       ILE   8   0.346  -8.906   3.527
   62    HB   ILE   8           HB       ILE   8  -2.489  -8.495   2.438
   63   HG12  ILE   8          2HG1      ILE   8  -2.754  -6.908   4.463
   64   HG13  ILE   8          1HG1      ILE   8  -1.002  -6.866   4.515
   65   HG21  ILE   8          1HG2      ILE   8  -1.553  -9.447   5.125
   66   HG22  ILE   8          2HG2      ILE   8  -2.322 -10.416   3.870
   67   HG23  ILE   8          3HG2      ILE   8  -3.233  -9.143   4.687
   68   HD11  ILE   8          1HD1      ILE   8  -2.730  -5.957   2.218
   69   HD12  ILE   8          2HD1      ILE   8  -0.968  -5.906   2.261
   70   HD13  ILE   8          3HD1      ILE   8  -1.906  -4.918   3.380
   71    HA   DPR   9           HA       DPR   9   0.012 -12.934   1.571
   72    HB2  DPR   9          1HB       DPR   9   2.605 -12.987   0.541
   73    HB3  DPR   9          2HB       DPR   9   2.161 -13.516   2.164
   74    HG2  DPR   9          1HG       DPR   9   3.306 -10.912   1.262
   75    HG3  DPR   9          2HG       DPR   9   3.660 -11.852   2.724
   76    HD2  DPR   9          1HD       DPR   9   2.114  -9.684   2.813
   77    HD3  DPR   9          2HD       DPR   9   1.746 -11.111   3.810
   78    HA   PRO  10           HA       PRO  10   0.079 -12.342  -2.899
   79    HB2  PRO  10          2HB       PRO  10  -2.361 -13.285  -3.414
   80    HB3  PRO  10          1HB       PRO  10  -1.046 -14.356  -2.918
   81    HG2  PRO  10          2HG       PRO  10  -3.300 -13.252  -1.293
   82    HG3  PRO  10          1HG       PRO  10  -2.616 -14.886  -1.299
   83    HD2  PRO  10          2HD       PRO  10  -2.000 -12.965   0.565
   84    HD3  PRO  10          1HD       PRO  10  -0.933 -14.317   0.139
   85    H    THR  11           H        THR  11  -1.756 -10.617  -0.648
   86    HA   THR  11           HA       THR  11  -3.227  -9.178  -2.735
   87    HB   THR  11           HB       THR  11  -3.668  -9.144   0.255
   88    HG1  THR  11          1HG       THR  11  -4.607 -11.006  -0.049
   89   HG21  THR  11          1HG2      THR  11  -4.573  -7.202  -0.958
   90   HG22  THR  11          2HG2      THR  11  -5.871  -8.247  -0.371
   91   HG23  THR  11          3HG2      THR  11  -5.401  -8.294  -2.069
   92    H    VAL  12           H        VAL  12  -2.737  -7.055  -3.089
   93    HA   VAL  12           HA       VAL  12  -0.817  -5.867  -1.245
   94    HB   VAL  12           HB       VAL  12  -0.103  -4.367  -3.090
   95   HG11  VAL  12          1HG1      VAL  12   1.159  -6.018  -4.380
   96   HG12  VAL  12          2HG1      VAL  12   0.126  -7.298  -3.740
   97   HG13  VAL  12          3HG1      VAL  12   1.170  -6.380  -2.653
   98   HG21  VAL  12          1HG2      VAL  12  -2.146  -4.415  -4.448
   99   HG22  VAL  12          2HG2      VAL  12  -1.844  -6.106  -4.850
  100   HG23  VAL  12          3HG2      VAL  12  -0.736  -4.854  -5.411
  101    H    ARG  13           H        ARG  13  -1.169  -3.838  -0.520
  102    HA   ARG  13           HA       ARG  13  -3.804  -2.697  -1.159
  103    HB2  ARG  13          2HB       ARG  13  -3.736  -3.628   1.166
  104    HB3  ARG  13          1HB       ARG  13  -2.392  -2.549   1.524
  105    HG2  ARG  13          2HG       ARG  13  -3.864  -0.620   0.998
  106    HG3  ARG  13          1HG       ARG  13  -5.206  -1.742   0.807
  107    HD2  ARG  13          2HD       ARG  13  -4.847  -2.475   3.158
  108    HD3  ARG  13          1HD       ARG  13  -3.614  -1.223   3.320
  109    HE   ARG  13           HE       ARG  13  -6.304  -0.448   2.486
  110   HH11  ARG  13          1HH1      ARG  13  -3.798  -0.248   5.024
  111   HH12  ARG  13          2HH1      ARG  13  -4.713   0.829   5.962
  112   HH21  ARG  13          1HH2      ARG  13  -7.478   1.077   3.835
  113   HH22  ARG  13          2HH2      ARG  13  -6.776   1.585   5.297
  114    H    CYS  14           H        CYS  14  -3.427  -0.963  -2.339
  115    HA   CYS  14           HA       CYS  14  -1.031   0.564  -1.850
  116    HB2  CYS  14          2HB       CYS  14  -3.158   0.863  -3.973
  117    HB3  CYS  14          1HB       CYS  14  -1.712   1.862  -3.851
  118    H    THR  15           H        THR  15  -1.080   1.746  -0.206
  119    HA   THR  15           HA       THR  15  -3.428   3.320   0.470
  120    HB   THR  15           HB       THR  15  -0.843   2.794   1.889
  121    HG1  THR  15          1HG       THR  15  -3.407   1.600   1.972
  122   HG21  THR  15          1HG2      THR  15  -1.998   3.724   3.898
  123   HG22  THR  15          2HG2      THR  15  -3.359   4.171   2.863
  124   HG23  THR  15          3HG2      THR  15  -1.783   4.909   2.614
  125    H    VAL  16           H        VAL  16  -3.433   5.204  -0.460
  126    HA   VAL  16           HA       VAL  16  -0.913   6.414  -1.204
  127    HB   VAL  16           HB       VAL  16  -2.591   6.310  -2.992
  128   HG11  VAL  16          1HG1      VAL  16  -4.300   8.054  -1.240
  129   HG12  VAL  16          2HG1      VAL  16  -4.641   6.400  -1.762
  130   HG13  VAL  16          3HG1      VAL  16  -4.603   7.709  -2.941
  131   HG21  VAL  16          1HG2      VAL  16  -0.980   8.119  -3.067
  132   HG22  VAL  16          2HG2      VAL  16  -2.043   9.135  -2.092
  133   HG23  VAL  16          3HG2      VAL  16  -2.529   8.653  -3.718
  134    H    ARG  17           H        ARG  17  -0.010   7.900  -0.133
  135    HA   ARG  17           HA       ARG  17  -1.555   9.350   1.861
  136    HB2  ARG  17          2HB       ARG  17   1.344   8.475   1.953
  137    HB3  ARG  17          1HB       ARG  17   0.549   9.451   3.180
  138    HG2  ARG  17          2HG       ARG  17  -0.983   7.591   3.663
  139    HG3  ARG  17          1HG       ARG  17  -0.182   6.628   2.428
  140    HD2  ARG  17          2HD       ARG  17   0.622   6.033   4.635
  141    HD3  ARG  17          1HD       ARG  17   1.906   6.757   3.676
  142    HE   ARG  17           HE       ARG  17   0.564   8.689   5.261
  143   HH11  ARG  17          1HH1      ARG  17   2.994   6.101   5.426
  144   HH12  ARG  17          2HH1      ARG  17   3.818   6.761   6.754
  145   HH21  ARG  17          1HH2      ARG  17   1.729   9.591   7.124
  146   HH22  ARG  17          2HH2      ARG  17   3.087   8.746   7.740
  147    HA   DPR  18           HA       DPR  18   0.099  13.151   0.199
  148    HB2  DPR  18          1HB       DPR  18  -2.478  13.176  -1.272
  149    HB3  DPR  18          2HB       DPR  18  -1.776  14.405  -0.216
  150    HG2  DPR  18          1HG       DPR  18  -3.826  12.927   0.598
  151    HG3  DPR  18          2HG       DPR  18  -2.510  13.348   1.709
  152    HD2  DPR  18          1HD       DPR  18  -3.026  10.775   0.270
  153    HD3  DPR  18          2HD       DPR  18  -2.492  11.068   1.941
  Start of MODEL   15
    1    HA   PRO   1           HA       PRO   1   0.438  11.895  -4.522
    2    HB2  PRO   1          2HB       PRO   1   2.884  12.873  -4.728
    3    HB3  PRO   1          1HB       PRO   1   1.496  13.961  -4.595
    4    HG2  PRO   1          2HG       PRO   1   3.484  13.179  -2.507
    5    HG3  PRO   1          1HG       PRO   1   2.749  14.760  -2.819
    6    HD2  PRO   1          2HD       PRO   1   1.904  12.921  -0.886
    7    HD3  PRO   1          1HD       PRO   1   0.959  14.294  -1.500
    8    H    VAL   2           H        VAL   2   1.470  10.539  -1.694
    9    HA   VAL   2           HA       VAL   2   3.524   8.877  -2.966
   10    HB   VAL   2           HB       VAL   2   2.990   9.289  -0.006
   11   HG11  VAL   2          1HG1      VAL   2   3.988   7.132  -0.500
   12   HG12  VAL   2          2HG1      VAL   2   5.144   8.183   0.318
   13   HG13  VAL   2          3HG1      VAL   2   5.263   7.923  -1.423
   14   HG21  VAL   2          1HG2      VAL   2   3.837  11.341  -1.012
   15   HG22  VAL   2          2HG2      VAL   2   5.174  10.446  -1.734
   16   HG23  VAL   2          3HG2      VAL   2   5.064  10.601   0.017
   17    H    THR   3           H        THR   3   3.013   6.801  -3.346
   18    HA   THR   3           HA       THR   3   0.661   5.742  -1.977
   19    HB   THR   3           HB       THR   3   1.725   4.958  -4.702
   20    HG1  THR   3          1HG       THR   3   0.815   7.035  -4.554
   21   HG21  THR   3          1HG2      THR   3  -0.826   4.214  -3.242
   22   HG22  THR   3          2HG2      THR   3   0.533   3.137  -3.566
   23   HG23  THR   3          3HG2      THR   3  -0.430   3.767  -4.903
   24    H    TRP   4           H        TRP   4   1.170   4.330  -0.532
   25    HA   TRP   4           HA       TRP   4   3.702   2.904  -0.687
   26    HB2  TRP   4          2HB       TRP   4   1.662   3.070   1.543
   27    HB3  TRP   4          1HB       TRP   4   3.225   2.275   1.628
   28    HD1  TRP   4           HD       TRP   4   1.564   5.579   2.143
   29    HE1  TRP   4          1HE       TRP   4   3.330   7.352   2.820
   30    HE3  TRP   4          3HE       TRP   4   5.814   2.949   1.080
   31    HZ2  TRP   4          2HZ       TRP   4   6.128   7.585   2.874
   32    HZ3  TRP   4          3HZ       TRP   4   7.991   4.020   1.466
   33    HH2  TRP   4           HH       TRP   4   8.139   6.289   2.343
   34    H    CYS   5           H        CYS   5   3.357   1.204  -2.085
   35    HA   CYS   5           HA       CYS   5   1.004  -0.421  -1.611
   36    HB2  CYS   5          2HB       CYS   5   3.105  -0.582  -3.779
   37    HB3  CYS   5          1HB       CYS   5   1.737  -1.683  -3.640
   38    H    VAL   6           H        VAL   6   1.137  -1.690  -0.022
   39    HA   VAL   6           HA       VAL   6   3.635  -3.120   0.471
   40    HB   VAL   6           HB       VAL   6   2.974  -1.756   2.393
   41   HG11  VAL   6          1HG1      VAL   6   0.596  -1.528   1.978
   42   HG12  VAL   6          2HG1      VAL   6   0.881  -2.112   3.618
   43   HG13  VAL   6          3HG1      VAL   6   0.349  -3.232   2.363
   44   HG21  VAL   6          1HG2      VAL   6   2.434  -4.679   2.908
   45   HG22  VAL   6          2HG2      VAL   6   2.812  -3.483   4.147
   46   HG23  VAL   6          3HG2      VAL   6   4.012  -3.892   2.920
   47    H    ARG   7           H        ARG   7   3.619  -5.292   0.402
   48    HA   ARG   7           HA       ARG   7   1.140  -6.465  -0.527
   49    HB2  ARG   7          2HB       ARG   7   2.437  -8.457  -1.117
   50    HB3  ARG   7          1HB       ARG   7   3.095  -7.016  -1.867
   51    HG2  ARG   7          2HG       ARG   7   4.899  -6.969  -0.251
   52    HG3  ARG   7          1HG       ARG   7   4.203  -8.354   0.595
   53    HD2  ARG   7          2HD       ARG   7   4.489  -9.709  -1.411
   54    HD3  ARG   7          1HD       ARG   7   5.192  -8.324  -2.251
   55    HE   ARG   7           HE       ARG   7   6.801  -8.506  -0.179
   56   HH11  ARG   7          1HH1      ARG   7   5.526 -11.116  -2.198
   57   HH12  ARG   7          2HH1      ARG   7   6.919 -12.076  -2.092
   58   HH21  ARG   7          1HH2      ARG   7   8.746  -9.863  -0.014
   59   HH22  ARG   7          2HH2      ARG   7   8.780 -11.356  -0.814
   60    H    ILE   8           H        ILE   8  -0.122  -7.627   0.647
   61    HA   ILE   8           HA       ILE   8   0.870  -8.710   3.168
   62    HB   ILE   8           HB       ILE   8  -1.962  -7.747   2.537
   63   HG12  ILE   8          2HG1      ILE   8   0.121  -6.455   4.323
   64   HG13  ILE   8          1HG1      ILE   8  -0.331  -5.870   2.730
   65   HG21  ILE   8          1HG2      ILE   8  -0.724  -8.673   5.135
   66   HG22  ILE   8          2HG2      ILE   8  -1.872  -9.583   4.157
   67   HG23  ILE   8          3HG2      ILE   8  -2.375  -8.081   4.934
   68   HD11  ILE   8          1HD1      ILE   8  -2.137  -6.034   5.134
   69   HD12  ILE   8          2HD1      ILE   8  -2.587  -5.419   3.542
   70   HD13  ILE   8          3HD1      ILE   8  -1.373  -4.576   4.503
   71    HA   DPR   9           HA       DPR   9  -0.640 -12.654   1.740
   72    HB2  DPR   9          1HB       DPR   9   1.688 -13.559   0.570
   73    HB3  DPR   9          2HB       DPR   9   1.381 -13.626   2.309
   74    HG2  DPR   9          1HG       DPR   9   2.954 -11.633   0.731
   75    HG3  DPR   9          2HG       DPR   9   3.330 -12.360   2.303
   76    HD2  DPR   9          1HD       DPR   9   2.332  -9.874   2.080
   77    HD3  DPR   9          2HD       DPR   9   1.903 -10.933   3.437
   78    HA   PRO  10           HA       PRO  10  -0.793 -12.355  -2.755
   79    HB2  PRO  10          2HB       PRO  10  -3.275 -13.209  -3.077
   80    HB3  PRO  10          1HB       PRO  10  -1.994 -14.324  -2.602
   81    HG2  PRO  10          2HG       PRO  10  -4.126 -13.076  -0.929
   82    HG3  PRO  10          1HG       PRO  10  -3.450 -14.712  -0.844
   83    HD2  PRO  10          2HD       PRO  10  -2.735 -12.564   0.785
   84    HD3  PRO  10          1HD       PRO  10  -1.787 -14.047   0.554
   85    H    THR  11           H        THR  11  -2.185 -10.364  -0.442
   86    HA   THR  11           HA       THR  11  -3.708  -8.880  -2.457
   87    HB   THR  11           HB       THR  11  -3.789  -8.609   0.544
   88    HG1  THR  11          1HG       THR  11  -5.263 -10.185  -1.288
   89   HG21  THR  11          1HG2      THR  11  -4.529  -6.606  -0.675
   90   HG22  THR  11          2HG2      THR  11  -5.888  -7.381   0.139
   91   HG23  THR  11          3HG2      THR  11  -5.669  -7.589  -1.598
   92    H    VAL  12           H        VAL  12  -2.829  -7.029  -3.115
   93    HA   VAL  12           HA       VAL  12  -0.638  -5.937  -1.541
   94    HB   VAL  12           HB       VAL  12   0.035  -6.413  -3.853
   95   HG11  VAL  12          1HG1      VAL  12  -2.097  -6.313  -4.978
   96   HG12  VAL  12          2HG1      VAL  12  -0.942  -5.239  -5.771
   97   HG13  VAL  12          3HG1      VAL  12  -2.181  -4.571  -4.712
   98   HG21  VAL  12          1HG2      VAL  12  -0.236  -3.446  -3.376
   99   HG22  VAL  12          2HG2      VAL  12   0.867  -4.197  -4.529
  100   HG23  VAL  12          3HG2      VAL  12   1.068  -4.485  -2.800
  101    H    ARG  13           H        ARG  13  -0.927  -4.140  -0.470
  102    HA   ARG  13           HA       ARG  13  -3.442  -2.741  -0.941
  103    HB2  ARG  13          2HB       ARG  13  -3.267  -3.730   1.296
  104    HB3  ARG  13          1HB       ARG  13  -1.759  -2.862   1.571
  105    HG2  ARG  13          2HG       ARG  13  -2.918  -0.749   1.368
  106    HG3  ARG  13          1HG       ARG  13  -4.426  -1.597   1.057
  107    HD2  ARG  13          2HD       ARG  13  -4.321  -2.571   3.306
  108    HD3  ARG  13          1HD       ARG  13  -2.808  -1.701   3.596
  109    HE   ARG  13           HE       ARG  13  -4.866   0.023   2.719
  110   HH11  ARG  13          1HH1      ARG  13  -3.705  -1.622   5.635
  111   HH12  ARG  13          2HH1      ARG  13  -4.385  -0.510   6.718
  112   HH21  ARG  13          1HH2      ARG  13  -5.772   1.613   4.232
  113   HH22  ARG  13          2HH2      ARG  13  -5.547   1.393   5.897
  114    H    CYS  14           H        CYS  14  -3.206  -0.935  -2.006
  115    HA   CYS  14           HA       CYS  14  -0.711   0.527  -1.715
  116    HB2  CYS  14          2HB       CYS  14  -2.846   0.662  -3.850
  117    HB3  CYS  14          1HB       CYS  14  -1.494   1.790  -3.751
  118    H    THR  15           H        THR  15  -0.847   1.663   0.012
  119    HA   THR  15           HA       THR  15  -3.237   3.134   0.704
  120    HB   THR  15           HB       THR  15  -0.555   2.956   2.050
  121    HG1  THR  15          1HG       THR  15  -2.755   1.260   1.921
  122   HG21  THR  15          1HG2      THR  15  -1.966   4.825   2.818
  123   HG22  THR  15          2HG2      THR  15  -1.787   3.602   4.073
  124   HG23  THR  15          3HG2      THR  15  -3.282   3.695   3.148
  125    H    VAL  16           H        VAL  16  -3.486   5.063  -0.149
  126    HA   VAL  16           HA       VAL  16  -1.188   6.489  -1.222
  127    HB   VAL  16           HB       VAL  16  -4.135   7.126  -1.543
  128   HG11  VAL  16          1HG1      VAL  16  -1.723   8.187  -3.013
  129   HG12  VAL  16          2HG1      VAL  16  -2.715   9.080  -1.862
  130   HG13  VAL  16          3HG1      VAL  16  -3.403   8.555  -3.400
  131   HG21  VAL  16          1HG2      VAL  16  -2.250   5.735  -3.439
  132   HG22  VAL  16          2HG2      VAL  16  -3.917   6.191  -3.790
  133   HG23  VAL  16          3HG2      VAL  16  -3.575   4.977  -2.555
  134    H    ARG  17           H        ARG  17  -0.265   7.961  -0.092
  135    HA   ARG  17           HA       ARG  17  -1.828   9.557   1.807
  136    HB2  ARG  17          2HB       ARG  17   1.107   8.797   1.955
  137    HB3  ARG  17          1HB       ARG  17   0.294   9.889   3.063
  138    HG2  ARG  17          2HG       ARG  17  -0.289   6.950   2.716
  139    HG3  ARG  17          1HG       ARG  17   0.588   7.690   4.057
  140    HD2  ARG  17          2HD       ARG  17  -1.422   8.960   4.656
  141    HD3  ARG  17          1HD       ARG  17  -2.290   8.213   3.317
  142    HE   ARG  17           HE       ARG  17  -1.128   6.523   5.387
  143   HH11  ARG  17          1HH1      ARG  17  -4.023   7.761   3.745
  144   HH12  ARG  17          2HH1      ARG  17  -5.102   6.739   4.573
  145   HH21  ARG  17          1HH2      ARG  17  -2.603   5.145   6.514
  146   HH22  ARG  17          2HH2      ARG  17  -4.287   5.225   6.219
  147    HA   DPR  18           HA       DPR  18  -0.365  13.209  -0.274
  148    HB2  DPR  18          1HB       DPR  18  -2.607  13.561  -1.871
  149    HB3  DPR  18          2HB       DPR  18  -2.459  14.150  -0.214
  150    HG2  DPR  18          1HG       DPR  18  -3.817  11.701  -1.250
  151    HG3  DPR  18          2HG       DPR  18  -4.308  12.780   0.063
  152    HD2  DPR  18          1HD       DPR  18  -3.189  10.378   0.510
  153    HD3  DPR  18          2HD       DPR  18  -2.909  11.763   1.588
  Start of MODEL   16
    1    HA   PRO   1           HA       PRO   1   1.098  12.655  -3.229
    2    HB2  PRO   1          2HB       PRO   1   3.658  13.281  -3.067
    3    HB3  PRO   1          1HB       PRO   1   2.412  14.460  -2.638
    4    HG2  PRO   1          2HG       PRO   1   4.177  12.847  -0.859
    5    HG3  PRO   1          1HG       PRO   1   3.584  14.502  -0.650
    6    HD2  PRO   1          2HD       PRO   1   2.489  12.174   0.511
    7    HD3  PRO   1          1HD       PRO   1   1.753  13.789   0.458
    8    H    VAL   2           H        VAL   2   1.826  10.260  -0.988
    9    HA   VAL   2           HA       VAL   2   3.597   8.931  -2.908
   10    HB   VAL   2           HB       VAL   2   3.604   8.478   0.086
   11   HG11  VAL   2          1HG1      VAL   2   4.313   6.517  -1.187
   12   HG12  VAL   2          2HG1      VAL   2   5.670   7.231  -0.322
   13   HG13  VAL   2          3HG1      VAL   2   5.497   7.495  -2.056
   14   HG21  VAL   2          1HG2      VAL   2   5.770   9.654   0.067
   15   HG22  VAL   2          2HG2      VAL   2   4.441  10.698  -0.427
   16   HG23  VAL   2          3HG2      VAL   2   5.535  10.033  -1.638
   17    H    THR   3           H        THR   3   3.014   7.068  -3.699
   18    HA   THR   3           HA       THR   3   0.548   5.821  -2.786
   19    HB   THR   3           HB       THR   3   2.226   5.252  -5.246
   20    HG1  THR   3          1HG       THR   3  -0.143   6.521  -5.705
   21   HG21  THR   3          1HG2      THR   3   0.158   4.198  -6.092
   22   HG22  THR   3          2HG2      THR   3  -0.641   4.539  -4.556
   23   HG23  THR   3          3HG2      THR   3   0.716   3.418  -4.614
   24    H    TRP   4           H        TRP   4   0.936   4.377  -1.181
   25    HA   TRP   4           HA       TRP   4   3.381   2.771  -1.259
   26    HB2  TRP   4          2HB       TRP   4   1.296   3.071   0.914
   27    HB3  TRP   4          1HB       TRP   4   2.760   2.111   1.030
   28    HD1  TRP   4           HD       TRP   4   1.557   5.742   0.996
   29    HE1  TRP   4          1HE       TRP   4   3.403   7.219   2.026
   30    HE3  TRP   4          3HE       TRP   4   5.258   2.258   1.406
   31    HZ2  TRP   4          2HZ       TRP   4   6.060   6.946   2.880
   32    HZ3  TRP   4          3HZ       TRP   4   7.429   2.943   2.338
   33    HH2  TRP   4           HH       TRP   4   7.822   5.236   3.056
   34    H    CYS   5           H        CYS   5   3.131   0.945  -2.407
   35    HA   CYS   5           HA       CYS   5   0.615  -0.498  -2.148
   36    HB2  CYS   5          2HB       CYS   5   2.837  -0.737  -4.187
   37    HB3  CYS   5          1HB       CYS   5   1.478  -1.851  -4.092
   38    H    VAL   6           H        VAL   6   0.710  -1.618  -0.388
   39    HA   VAL   6           HA       VAL   6   3.157  -3.081   0.210
   40    HB   VAL   6           HB       VAL   6   2.375  -1.645   2.026
   41   HG11  VAL   6          1HG1      VAL   6  -0.163  -3.261   2.007
   42   HG12  VAL   6          2HG1      VAL   6   0.011  -1.558   1.583
   43   HG13  VAL   6          3HG1      VAL   6   0.288  -2.086   3.243
   44   HG21  VAL   6          1HG2      VAL   6   2.025  -4.571   2.675
   45   HG22  VAL   6          2HG2      VAL   6   2.297  -3.296   3.861
   46   HG23  VAL   6          3HG2      VAL   6   3.543  -3.673   2.672
   47    H    ARG   7           H        ARG   7   3.244  -5.170   0.078
   48    HA   ARG   7           HA       ARG   7   0.856  -6.617  -0.698
   49    HB2  ARG   7          2HB       ARG   7   3.782  -7.303  -0.835
   50    HB3  ARG   7          1HB       ARG   7   2.510  -8.468  -1.166
   51    HG2  ARG   7          2HG       ARG   7   1.745  -7.215  -3.033
   52    HG3  ARG   7          1HG       ARG   7   2.817  -5.870  -2.641
   53    HD2  ARG   7          2HD       ARG   7   3.748  -8.650  -3.329
   54    HD3  ARG   7          1HD       ARG   7   3.669  -7.317  -4.483
   55    HE   ARG   7           HE       ARG   7   5.087  -6.288  -2.471
   56   HH11  ARG   7          1HH1      ARG   7   5.486  -9.243  -4.375
   57   HH12  ARG   7          2HH1      ARG   7   7.176  -9.284  -4.252
   58   HH21  ARG   7          1HH2      ARG   7   7.416  -6.331  -2.266
   59   HH22  ARG   7          2HH2      ARG   7   8.304  -7.554  -3.030
   60    H    ILE   8           H        ILE   8  -0.224  -7.124   0.978
   61    HA   ILE   8           HA       ILE   8   1.073  -8.171   3.362
   62    HB   ILE   8           HB       ILE   8  -1.828  -7.412   2.823
   63   HG12  ILE   8          2HG1      ILE   8   0.306  -6.023   4.464
   64   HG13  ILE   8          1HG1      ILE   8  -0.303  -5.490   2.905
   65   HG21  ILE   8          1HG2      ILE   8  -1.704  -9.194   4.478
   66   HG22  ILE   8          2HG2      ILE   8  -2.173  -7.677   5.248
   67   HG23  ILE   8          3HG2      ILE   8  -0.523  -8.275   5.409
   68   HD11  ILE   8          1HD1      ILE   8  -2.499  -5.120   3.890
   69   HD12  ILE   8          2HD1      ILE   8  -1.249  -4.201   4.730
   70   HD13  ILE   8          3HD1      ILE   8  -1.894  -5.679   5.449
   71    HA   DPR   9           HA       DPR   9  -0.509 -12.326   2.621
   72    HB2  DPR   9          1HB       DPR   9   2.352 -12.859   2.037
   73    HB3  DPR   9          2HB       DPR   9   1.287 -13.661   3.195
   74    HG2  DPR   9          1HG       DPR   9   3.222 -11.988   3.983
   75    HG3  DPR   9          2HG       DPR   9   1.670 -12.084   4.833
   76    HD2  DPR   9          1HD       DPR   9   2.664 -10.014   2.928
   77    HD3  DPR   9          2HD       DPR   9   1.663  -9.831   4.380
   78    HA   PRO  10           HA       PRO  10   0.283 -12.511  -1.838
   79    HB2  PRO  10          2HB       PRO  10  -2.027 -13.774  -2.476
   80    HB3  PRO  10          1HB       PRO  10  -0.603 -14.620  -1.865
   81    HG2  PRO  10          2HG       PRO  10  -3.169 -14.183  -0.558
   82    HG3  PRO  10          1HG       PRO  10  -1.835 -15.228  -0.060
   83    HD2  PRO  10          2HD       PRO  10  -2.535 -12.543   0.873
   84    HD3  PRO  10          1HD       PRO  10  -1.418 -13.737   1.582
   85    H    THR  11           H        THR  11  -1.596 -10.480  -0.143
   86    HA   THR  11           HA       THR  11  -3.054  -9.493  -2.494
   87    HB   THR  11           HB       THR  11  -4.425  -8.212  -0.696
   88    HG1  THR  11          1HG       THR  11  -2.769  -9.430   0.937
   89   HG21  THR  11          1HG2      THR  11  -5.356  -9.974  -2.081
   90   HG22  THR  11          2HG2      THR  11  -5.944 -10.136  -0.424
   91   HG23  THR  11          3HG2      THR  11  -4.662 -11.195  -1.019
   92    H    VAL  12           H        VAL  12  -3.211  -7.134  -2.752
   93    HA   VAL  12           HA       VAL  12  -0.976  -5.796  -1.441
   94    HB   VAL  12           HB       VAL  12  -0.307  -6.377  -3.737
   95   HG11  VAL  12          1HG1      VAL  12  -2.645  -4.717  -4.641
   96   HG12  VAL  12          2HG1      VAL  12  -2.424  -6.455  -4.858
   97   HG13  VAL  12          3HG1      VAL  12  -1.361  -5.320  -5.689
   98   HG21  VAL  12          1HG2      VAL  12  -0.734  -3.415  -3.355
   99   HG22  VAL  12          2HG2      VAL  12   0.380  -4.135  -4.516
  100   HG23  VAL  12          3HG2      VAL  12   0.641  -4.360  -2.786
  101    H    ARG  13           H        ARG  13  -1.312  -3.806  -0.748
  102    HA   ARG  13           HA       ARG  13  -3.918  -2.561  -1.335
  103    HB2  ARG  13          2HB       ARG  13  -2.238  -2.246   1.155
  104    HB3  ARG  13          1HB       ARG  13  -3.757  -1.445   0.831
  105    HG2  ARG  13          2HG       ARG  13  -4.873  -3.655   0.871
  106    HG3  ARG  13          1HG       ARG  13  -3.321  -4.378   1.324
  107    HD2  ARG  13          2HD       ARG  13  -3.217  -2.873   3.259
  108    HD3  ARG  13          1HD       ARG  13  -4.798  -2.234   2.821
  109    HE   ARG  13           HE       ARG  13  -4.830  -5.049   3.141
  110   HH11  ARG  13          1HH1      ARG  13  -4.916  -1.994   4.884
  111   HH12  ARG  13          2HH1      ARG  13  -5.637  -2.624   6.290
  112   HH21  ARG  13          1HH2      ARG  13  -5.805  -5.951   5.098
  113   HH22  ARG  13          2HH2      ARG  13  -6.126  -4.922   6.416
  114    H    CYS  14           H        CYS  14  -3.590  -0.838  -2.591
  115    HA   CYS  14           HA       CYS  14  -1.079   0.599  -2.284
  116    HB2  CYS  14          2HB       CYS  14  -3.074   0.620  -4.552
  117    HB3  CYS  14          1HB       CYS  14  -1.675   1.686  -4.457
  118    H    THR  15           H        THR  15  -1.358   1.843  -0.649
  119    HA   THR  15           HA       THR  15  -3.759   3.475  -0.431
  120    HB   THR  15           HB       THR  15  -2.737   4.018   1.825
  121    HG1  THR  15          1HG       THR  15  -0.618   3.242   0.965
  122   HG21  THR  15          1HG2      THR  15  -4.505   2.318   1.565
  123   HG22  THR  15          2HG2      THR  15  -3.354   1.855   2.816
  124   HG23  THR  15          3HG2      THR  15  -3.276   1.100   1.223
  125    H    VAL  16           H        VAL  16  -3.632   5.452  -1.288
  126    HA   VAL  16           HA       VAL  16  -1.032   6.639  -1.748
  127    HB   VAL  16           HB       VAL  16  -3.774   7.752  -2.432
  128   HG11  VAL  16          1HG1      VAL  16  -2.027   9.466  -2.294
  129   HG12  VAL  16          2HG1      VAL  16  -2.545   9.233  -3.963
  130   HG13  VAL  16          3HG1      VAL  16  -1.023   8.539  -3.408
  131   HG21  VAL  16          1HG2      VAL  16  -3.332   5.630  -3.595
  132   HG22  VAL  16          2HG2      VAL  16  -1.821   6.300  -4.212
  133   HG23  VAL  16          3HG2      VAL  16  -3.362   6.997  -4.704
  134    H    ARG  17           H        ARG  17  -0.194   7.454  -0.042
  135    HA   ARG  17           HA       ARG  17  -1.847   8.853   1.902
  136    HB2  ARG  17          2HB       ARG  17   0.975   7.765   2.083
  137    HB3  ARG  17          1HB       ARG  17   0.155   8.636   3.370
  138    HG2  ARG  17          2HG       ARG  17  -1.494   6.894   3.567
  139    HG3  ARG  17          1HG       ARG  17  -0.815   6.046   2.182
  140    HD2  ARG  17          2HD       ARG  17  -0.125   5.003   4.268
  141    HD3  ARG  17          1HD       ARG  17   1.260   5.688   3.428
  142    HE   ARG  17           HE       ARG  17   0.748   7.662   5.050
  143   HH11  ARG  17          1HH1      ARG  17   0.553   4.200   5.837
  144   HH12  ARG  17          2HH1      ARG  17   1.092   4.398   7.429
  145   HH21  ARG  17          1HH2      ARG  17   1.464   7.912   7.273
  146   HH22  ARG  17          2HH2      ARG  17   1.604   6.542   8.269
  147    HA   DPR  18           HA       DPR  18   0.122  12.799   1.147
  148    HB2  DPR  18          1HB       DPR  18  -2.319  13.200  -0.504
  149    HB3  DPR  18          2HB       DPR  18  -1.663  14.225   0.771
  150    HG2  DPR  18          1HG       DPR  18  -3.826  12.730   1.196
  151    HG3  DPR  18          2HG       DPR  18  -2.596  12.942   2.452
  152    HD2  DPR  18          1HD       DPR  18  -3.110  10.594   0.686
  153    HD3  DPR  18          2HD       DPR  18  -2.606  10.666   2.388
  Start of MODEL   17
    1    HA   PRO   1           HA       PRO   1   0.389  12.654  -3.599
    2    HB2  PRO   1          2HB       PRO   1   2.846  13.516  -4.025
    3    HB3  PRO   1          1HB       PRO   1   1.597  14.625  -3.440
    4    HG2  PRO   1          2HG       PRO   1   3.834  13.339  -1.938
    5    HG3  PRO   1          1HG       PRO   1   3.153  14.965  -1.758
    6    HD2  PRO   1          2HD       PRO   1   2.536  12.709  -0.185
    7    HD3  PRO   1          1HD       PRO   1   1.640  14.238  -0.239
    8    H    VAL   2           H        VAL   2   1.683  10.585  -1.349
    9    HA   VAL   2           HA       VAL   2   3.301   9.147  -3.344
   10    HB   VAL   2           HB       VAL   2   3.592   8.993  -0.329
   11   HG11  VAL   2          1HG1      VAL   2   5.684   7.816  -0.798
   12   HG12  VAL   2          2HG1      VAL   2   5.349   7.921  -2.525
   13   HG13  VAL   2          3HG1      VAL   2   4.296   6.966  -1.482
   14   HG21  VAL   2          1HG2      VAL   2   5.666  10.263  -0.586
   15   HG22  VAL   2          2HG2      VAL   2   4.276  11.207  -1.127
   16   HG23  VAL   2          3HG2      VAL   2   5.345  10.446  -2.308
   17    H    THR   3           H        THR   3   2.603   7.158  -3.872
   18    HA   THR   3           HA       THR   3   0.499   5.965  -2.233
   19    HB   THR   3           HB       THR   3   1.254   5.399  -5.116
   20    HG1  THR   3          1HG       THR   3   0.207   7.311  -5.046
   21   HG21  THR   3          1HG2      THR   3  -0.789   4.042  -5.183
   22   HG22  THR   3          2HG2      THR   3  -1.070   4.365  -3.472
   23   HG23  THR   3          3HG2      THR   3   0.330   3.415  -3.972
   24    H    TRP   4           H        TRP   4   1.055   4.353  -0.988
   25    HA   TRP   4           HA       TRP   4   3.542   2.910  -1.502
   26    HB2  TRP   4          2HB       TRP   4   1.863   3.168   1.003
   27    HB3  TRP   4          1HB       TRP   4   3.304   2.168   0.869
   28    HD1  TRP   4           HD       TRP   4   2.192   5.783   1.271
   29    HE1  TRP   4          1HE       TRP   4   4.276   7.245   1.734
   30    HE3  TRP   4          3HE       TRP   4   5.839   2.314   0.417
   31    HZ2  TRP   4          2HZ       TRP   4   7.067   6.954   1.729
   32    HZ3  TRP   4          3HZ       TRP   4   8.185   2.990   0.674
   33    HH2  TRP   4           HH       TRP   4   8.778   5.269   1.319
   34    H    CYS   5           H        CYS   5   3.422   0.889  -2.190
   35    HA   CYS   5           HA       CYS   5   0.854  -0.479  -1.948
   36    HB2  CYS   5          2HB       CYS   5   3.016  -0.784  -4.035
   37    HB3  CYS   5          1HB       CYS   5   1.631  -1.858  -3.893
   38    H    VAL   6           H        VAL   6   0.809  -1.984  -0.535
   39    HA   VAL   6           HA       VAL   6   3.322  -3.300   0.236
   40    HB   VAL   6           HB       VAL   6   0.868  -2.845   1.963
   41   HG11  VAL   6          1HG1      VAL   6   2.304  -3.525   3.827
   42   HG12  VAL   6          2HG1      VAL   6   3.619  -3.834   2.693
   43   HG13  VAL   6          3HG1      VAL   6   2.145  -4.799   2.615
   44   HG21  VAL   6          1HG2      VAL   6   1.923  -0.699   1.511
   45   HG22  VAL   6          2HG2      VAL   6   3.486  -1.344   1.998
   46   HG23  VAL   6          3HG2      VAL   6   2.195  -1.170   3.188
   47    H    ARG   7           H        ARG   7   3.291  -5.493   0.117
   48    HA   ARG   7           HA       ARG   7   0.821  -6.725  -0.789
   49    HB2  ARG   7          2HB       ARG   7   2.992  -7.187  -1.977
   50    HB3  ARG   7          1HB       ARG   7   3.576  -7.950  -0.506
   51    HG2  ARG   7          2HG       ARG   7   1.657  -9.552  -0.683
   52    HG3  ARG   7          1HG       ARG   7   1.313  -8.858  -2.267
   53    HD2  ARG   7          2HD       ARG   7   3.856 -10.235  -1.410
   54    HD3  ARG   7          1HD       ARG   7   2.642 -10.869  -2.515
   55    HE   ARG   7           HE       ARG   7   3.529  -8.451  -3.553
   56   HH11  ARG   7          1HH1      ARG   7   4.897 -11.641  -2.887
   57   HH12  ARG   7          2HH1      ARG   7   6.069 -11.551  -4.120
   58   HH21  ARG   7          1HH2      ARG   7   5.140  -8.336  -5.230
   59   HH22  ARG   7          2HH2      ARG   7   6.200  -9.653  -5.478
   60    H    ILE   8           H        ILE   8  -0.415  -7.001   0.935
   61    HA   ILE   8           HA       ILE   8   0.729  -8.069   3.385
   62    HB   ILE   8           HB       ILE   8  -2.134  -7.184   2.803
   63   HG12  ILE   8          2HG1      ILE   8   0.086  -5.743   4.285
   64   HG13  ILE   8          1HG1      ILE   8  -0.514  -5.323   2.688
   65   HG21  ILE   8          1HG2      ILE   8  -0.774  -7.829   5.433
   66   HG22  ILE   8          2HG2      ILE   8  -1.976  -8.834   4.628
   67   HG23  ILE   8          3HG2      ILE   8  -2.430  -7.248   5.248
   68   HD11  ILE   8          1HD1      ILE   8  -2.073  -5.197   5.260
   69   HD12  ILE   8          2HD1      ILE   8  -2.688  -4.772   3.664
   70   HD13  ILE   8          3HD1      ILE   8  -1.387  -3.827   4.387
   71    HA   DPR   9           HA       DPR   9  -1.149 -12.101   2.669
   72    HB2  DPR   9          1HB       DPR   9   1.697 -12.928   2.589
   73    HB3  DPR   9          2HB       DPR   9   0.401 -13.527   3.625
   74    HG2  DPR   9          1HG       DPR   9   2.377 -11.985   4.588
   75    HG3  DPR   9          2HG       DPR   9   0.717 -11.877   5.201
   76    HD2  DPR   9          1HD       DPR   9   2.158 -10.066   3.307
   77    HD3  DPR   9          2HD       DPR   9   1.030  -9.672   4.621
   78    HA   PRO  10           HA       PRO  10   0.300 -12.429  -1.614
   79    HB2  PRO  10          2HB       PRO  10  -1.893 -13.549  -2.613
   80    HB3  PRO  10          1HB       PRO  10  -0.791 -14.482  -1.593
   81    HG2  PRO  10          2HG       PRO  10  -3.471 -13.371  -0.955
   82    HG3  PRO  10          1HG       PRO  10  -2.657 -14.807  -0.313
   83    HD2  PRO  10          2HD       PRO  10  -2.822 -12.217   0.879
   84    HD3  PRO  10          1HD       PRO  10  -1.916 -13.627   1.465
   85    H    THR  11           H        THR  11  -1.851 -10.381  -0.114
   86    HA   THR  11           HA       THR  11  -3.194  -9.474  -2.520
   87    HB   THR  11           HB       THR  11  -3.590  -8.617   0.309
   88    HG1  THR  11          1HG       THR  11  -4.466 -10.853  -1.175
   89   HG21  THR  11          1HG2      THR  11  -4.586  -7.157  -1.388
   90   HG22  THR  11          2HG2      THR  11  -5.842  -8.011  -0.491
   91   HG23  THR  11          3HG2      THR  11  -5.401  -8.542  -2.116
   92    H    VAL  12           H        VAL  12  -2.373  -7.827  -3.534
   93    HA   VAL  12           HA       VAL  12  -0.448  -6.032  -2.305
   94    HB   VAL  12           HB       VAL  12  -1.545  -6.003  -5.130
   95   HG11  VAL  12          1HG1      VAL  12   0.428  -4.639  -5.657
   96   HG12  VAL  12          2HG1      VAL  12   0.879  -4.646  -3.949
   97   HG13  VAL  12          3HG1      VAL  12  -0.608  -3.856  -4.463
   98   HG21  VAL  12          1HG2      VAL  12  -0.395  -8.094  -4.683
   99   HG22  VAL  12          2HG2      VAL  12   1.002  -7.215  -4.069
  100   HG23  VAL  12          3HG2      VAL  12   0.560  -7.091  -5.776
  101    H    ARG  13           H        ARG  13  -1.230  -4.444  -1.144
  102    HA   ARG  13           HA       ARG  13  -3.661  -3.091  -2.069
  103    HB2  ARG  13          2HB       ARG  13  -2.627  -3.515   0.725
  104    HB3  ARG  13          1HB       ARG  13  -3.881  -2.353   0.339
  105    HG2  ARG  13          2HG       ARG  13  -5.301  -4.163  -0.494
  106    HG3  ARG  13          1HG       ARG  13  -4.035  -5.329  -0.092
  107    HD2  ARG  13          2HD       ARG  13  -5.804  -5.172   1.633
  108    HD3  ARG  13          1HD       ARG  13  -4.199  -4.769   2.240
  109    HE   ARG  13           HE       ARG  13  -5.792  -2.527   1.343
  110   HH11  ARG  13          1HH1      ARG  13  -4.929  -4.521   4.143
  111   HH12  ARG  13          2HH1      ARG  13  -5.190  -3.288   5.274
  112   HH21  ARG  13          1HH2      ARG  13  -6.194  -0.863   2.860
  113   HH22  ARG  13          2HH2      ARG  13  -5.978  -1.107   4.524
  114    H    CYS  14           H        CYS  14  -3.554  -0.954  -2.387
  115    HA   CYS  14           HA       CYS  14  -0.982   0.288  -1.777
  116    HB2  CYS  14          2HB       CYS  14  -2.791   0.842  -4.131
  117    HB3  CYS  14          1HB       CYS  14  -1.295   1.690  -3.771
  118    H    THR  15           H        THR  15  -1.030   1.940  -0.529
  119    HA   THR  15           HA       THR  15  -3.583   3.239  -0.061
  120    HB   THR  15           HB       THR  15  -2.977   1.992   1.908
  121    HG1  THR  15          1HG       THR  15  -3.736   4.125   2.249
  122   HG21  THR  15          1HG2      THR  15  -0.841   2.278   3.095
  123   HG22  THR  15          2HG2      THR  15  -0.290   3.365   1.816
  124   HG23  THR  15          3HG2      THR  15  -0.597   1.667   1.456
  125    H    VAL  16           H        VAL  16  -3.619   5.409  -0.274
  126    HA   VAL  16           HA       VAL  16  -1.159   6.601  -1.230
  127    HB   VAL  16           HB       VAL  16  -3.006   6.751  -2.808
  128   HG11  VAL  16          1HG1      VAL  16  -4.902   6.691  -1.326
  129   HG12  VAL  16          2HG1      VAL  16  -5.002   8.101  -2.382
  130   HG13  VAL  16          3HG1      VAL  16  -4.494   8.289  -0.704
  131   HG21  VAL  16          1HG2      VAL  16  -2.322   9.444  -1.633
  132   HG22  VAL  16          2HG2      VAL  16  -2.998   9.175  -3.240
  133   HG23  VAL  16          3HG2      VAL  16  -1.394   8.558  -2.845
  134    H    ARG  17           H        ARG  17  -0.057   7.839  -0.046
  135    HA   ARG  17           HA       ARG  17  -1.342   9.197   2.191
  136    HB2  ARG  17          2HB       ARG  17   1.433   8.027   1.986
  137    HB3  ARG  17          1HB       ARG  17   0.918   9.111   3.272
  138    HG2  ARG  17          2HG       ARG  17  -0.252   6.403   2.669
  139    HG3  ARG  17          1HG       ARG  17   0.812   6.813   4.017
  140    HD2  ARG  17          2HD       ARG  17  -1.982   7.860   3.530
  141    HD3  ARG  17          1HD       ARG  17  -1.461   6.782   4.813
  142    HE   ARG  17           HE       ARG  17   0.052   8.719   5.462
  143   HH11  ARG  17          1HH1      ARG  17  -3.259   9.078   4.249
  144   HH12  ARG  17          2HH1      ARG  17  -3.461  10.628   4.901
  145   HH21  ARG  17          1HH2      ARG  17  -0.252  10.827   6.354
  146   HH22  ARG  17          2HH2      ARG  17  -1.733  11.649   6.141
  147    HA   DPR  18           HA       DPR  18   0.386  13.027   0.889
  148    HB2  DPR  18          1HB       DPR  18  -1.946  14.045  -0.189
  149    HB3  DPR  18          2HB       DPR  18  -1.557  14.097   1.533
  150    HG2  DPR  18          1HG       DPR  18  -3.311  12.208   0.037
  151    HG3  DPR  18          2HG       DPR  18  -3.541  12.927   1.642
  152    HD2  DPR  18          1HD       DPR  18  -2.696  10.396   1.285
  153    HD3  DPR  18          2HD       DPR  18  -2.163  11.387   2.662
  Start of MODEL   18
    1    HA   PRO   1           HA       PRO   1   0.168  12.104  -4.645
    2    HB2  PRO   1          2HB       PRO   1   2.632  12.928  -5.167
    3    HB3  PRO   1          1HB       PRO   1   1.353  14.089  -4.792
    4    HG2  PRO   1          2HG       PRO   1   3.574  13.104  -3.064
    5    HG3  PRO   1          1HG       PRO   1   2.873  14.726  -3.176
    6    HD2  PRO   1          2HD       PRO   1   2.248  12.797  -1.240
    7    HD3  PRO   1          1HD       PRO   1   1.310  14.257  -1.611
    8    H    VAL   2           H        VAL   2   1.603  10.480  -2.091
    9    HA   VAL   2           HA       VAL   2   3.203   8.795  -3.892
   10    HB   VAL   2           HB       VAL   2   3.620   9.123  -0.907
   11   HG11  VAL   2          1HG1      VAL   2   5.314   7.778  -3.007
   12   HG12  VAL   2          2HG1      VAL   2   4.366   6.972  -1.758
   13   HG13  VAL   2          3HG1      VAL   2   5.748   7.972  -1.309
   14   HG21  VAL   2          1HG2      VAL   2   4.160  11.206  -2.047
   15   HG22  VAL   2          2HG2      VAL   2   5.180  10.335  -3.191
   16   HG23  VAL   2          3HG2      VAL   2   5.633  10.413  -1.490
   17    H    THR   3           H        THR   3   2.687   6.746  -4.074
   18    HA   THR   3           HA       THR   3   0.456   5.673  -2.553
   19    HB   THR   3           HB       THR   3   1.936   4.216  -4.722
   20    HG1  THR   3          1HG       THR   3  -0.109   6.136  -5.281
   21   HG21  THR   3          1HG2      THR   3  -0.338   3.394  -5.211
   22   HG22  THR   3          2HG2      THR   3  -0.983   4.448  -3.957
   23   HG23  THR   3          3HG2      THR   3   0.090   3.118  -3.523
   24    H    TRP   4           H        TRP   4   0.799   4.153  -0.951
   25    HA   TRP   4           HA       TRP   4   3.440   2.905  -0.827
   26    HB2  TRP   4          2HB       TRP   4   1.625   3.688   1.466
   27    HB3  TRP   4          1HB       TRP   4   3.115   2.767   1.637
   28    HD1  TRP   4           HD       TRP   4   1.822   6.276   1.346
   29    HE1  TRP   4          1HE       TRP   4   3.830   7.943   1.447
   30    HE3  TRP   4          3HE       TRP   4   5.689   2.993   0.870
   31    HZ2  TRP   4          2HZ       TRP   4   6.610   7.854   1.321
   32    HZ3  TRP   4          3HZ       TRP   4   7.991   3.873   0.857
   33    HH2  TRP   4           HH       TRP   4   8.419   6.257   1.079
   34    H    CYS   5           H        CYS   5   3.155   0.984  -1.665
   35    HA   CYS   5           HA       CYS   5   0.771  -0.559  -0.993
   36    HB2  CYS   5          2HB       CYS   5   2.850  -0.988  -3.141
   37    HB3  CYS   5          1HB       CYS   5   1.422  -1.982  -2.884
   38    H    VAL   6           H        VAL   6   0.936  -2.006   0.514
   39    HA   VAL   6           HA       VAL   6   3.495  -3.378   0.851
   40    HB   VAL   6           HB       VAL   6   2.717  -3.977   3.179
   41   HG11  VAL   6          1HG1      VAL   6   3.137  -1.777   4.194
   42   HG12  VAL   6          2HG1      VAL   6   2.915  -1.021   2.616
   43   HG13  VAL   6          3HG1      VAL   6   4.259  -2.132   2.882
   44   HG21  VAL   6          1HG2      VAL   6   0.307  -3.694   2.879
   45   HG22  VAL   6          2HG2      VAL   6   0.525  -1.961   2.636
   46   HG23  VAL   6          3HG2      VAL   6   0.885  -2.684   4.205
   47    H    ARG   7           H        ARG   7   3.479  -5.552   0.515
   48    HA   ARG   7           HA       ARG   7   0.955  -6.496  -0.559
   49    HB2  ARG   7          2HB       ARG   7   3.008  -6.737  -1.931
   50    HB3  ARG   7          1HB       ARG   7   3.653  -7.836  -0.722
   51    HG2  ARG   7          2HG       ARG   7   1.838  -9.401  -1.138
   52    HG3  ARG   7          1HG       ARG   7   1.132  -8.290  -2.310
   53    HD2  ARG   7          2HD       ARG   7   2.371 -10.011  -3.461
   54    HD3  ARG   7          1HD       ARG   7   3.179  -8.459  -3.663
   55    HE   ARG   7           HE       ARG   7   4.061 -10.275  -1.556
   56   HH11  ARG   7          1HH1      ARG   7   4.763  -8.615  -4.622
   57   HH12  ARG   7          2HH1      ARG   7   6.399  -9.064  -4.641
   58   HH21  ARG   7          1HH2      ARG   7   6.330 -10.880  -1.601
   59   HH22  ARG   7          2HH2      ARG   7   7.310 -10.375  -2.880
   60    H    ILE   8           H        ILE   8  -0.297  -7.085   0.998
   61    HA   ILE   8           HA       ILE   8   0.702  -8.780   3.130
   62    HB   ILE   8           HB       ILE   8  -2.114  -7.710   2.693
   63   HG12  ILE   8          2HG1      ILE   8  -0.551  -5.839   3.005
   64   HG13  ILE   8          1HG1      ILE   8  -1.596  -6.011   4.408
   65   HG21  ILE   8          1HG2      ILE   8  -2.459  -8.259   5.058
   66   HG22  ILE   8          2HG2      ILE   8  -0.820  -8.897   5.148
   67   HG23  ILE   8          3HG2      ILE   8  -2.015  -9.691   4.126
   68   HD11  ILE   8          1HD1      ILE   8   0.681  -5.498   5.070
   69   HD12  ILE   8          2HD1      ILE   8   1.277  -6.910   4.201
   70   HD13  ILE   8          3HD1      ILE   8   0.241  -7.117   5.613
   71    HA   DPR   9           HA       DPR   9  -1.400 -12.422   1.503
   72    HB2  DPR   9          1HB       DPR   9   1.409 -13.354   1.297
   73    HB3  DPR   9          2HB       DPR   9   0.042 -14.128   2.109
   74    HG2  DPR   9          1HG       DPR   9   1.998 -12.980   3.515
   75    HG3  DPR   9          2HG       DPR   9   0.305 -12.854   4.032
   76    HD2  DPR   9          1HD       DPR   9   2.009 -10.839   2.613
   77    HD3  DPR   9          2HD       DPR   9   0.866 -10.621   3.957
   78    HA   PRO  10           HA       PRO  10   0.136 -11.941  -2.751
   79    HB2  PRO  10          2HB       PRO  10  -2.091 -12.764  -3.978
   80    HB3  PRO  10          1HB       PRO  10  -1.011 -13.914  -3.184
   81    HG2  PRO  10          2HG       PRO  10  -3.690 -13.000  -2.368
   82    HG3  PRO  10          1HG       PRO  10  -2.818 -14.468  -1.909
   83    HD2  PRO  10          2HD       PRO  10  -3.054 -11.979  -0.440
   84    HD3  PRO  10          1HD       PRO  10  -2.269 -13.489   0.061
   85    H    THR  11           H        THR  11  -1.859 -10.103  -0.895
   86    HA   THR  11           HA       THR  11  -3.090  -8.639  -3.091
   87    HB   THR  11           HB       THR  11  -3.576  -8.470  -0.149
   88    HG1  THR  11          1HG       THR  11  -4.680 -10.074  -2.216
   89   HG21  THR  11          1HG2      THR  11  -5.200  -7.489  -2.512
   90   HG22  THR  11          2HG2      THR  11  -4.312  -6.480  -1.373
   91   HG23  THR  11          3HG2      THR  11  -5.714  -7.401  -0.826
   92    H    VAL  12           H        VAL  12  -2.175  -6.821  -3.655
   93    HA   VAL  12           HA       VAL  12  -0.279  -5.577  -1.892
   94    HB   VAL  12           HB       VAL  12   0.153  -3.933  -3.746
   95   HG11  VAL  12          1HG1      VAL  12   0.340  -6.844  -4.501
   96   HG12  VAL  12          2HG1      VAL  12   1.513  -5.926  -3.558
   97   HG13  VAL  12          3HG1      VAL  12   1.249  -5.538  -5.259
   98   HG21  VAL  12          1HG2      VAL  12  -1.746  -5.671  -5.334
   99   HG22  VAL  12          2HG2      VAL  12  -0.752  -4.371  -5.987
  100   HG23  VAL  12          3HG2      VAL  12  -2.048  -4.004  -4.848
  101    H    ARG  13           H        ARG  13  -1.017  -4.506  -0.310
  102    HA   ARG  13           HA       ARG  13  -3.533  -3.112  -0.492
  103    HB2  ARG  13          2HB       ARG  13  -3.001  -4.495   1.499
  104    HB3  ARG  13          1HB       ARG  13  -1.611  -3.479   1.823
  105    HG2  ARG  13          2HG       ARG  13  -3.042  -1.598   2.302
  106    HG3  ARG  13          1HG       ARG  13  -4.473  -2.523   1.852
  107    HD2  ARG  13          2HD       ARG  13  -3.966  -4.123   3.676
  108    HD3  ARG  13          1HD       ARG  13  -2.598  -3.117   4.145
  109    HE   ARG  13           HE       ARG  13  -4.724  -1.430   4.137
  110   HH11  ARG  13          1HH1      ARG  13  -3.982  -4.459   5.889
  111   HH12  ARG  13          2HH1      ARG  13  -4.967  -4.074   7.209
  112   HH21  ARG  13          1HH2      ARG  13  -6.086  -0.969   5.978
  113   HH22  ARG  13          2HH2      ARG  13  -6.186  -2.064   7.277
  114    H    CYS  14           H        CYS  14  -3.310  -1.319  -1.597
  115    HA   CYS  14           HA       CYS  14  -0.951   0.329  -1.162
  116    HB2  CYS  14          2HB       CYS  14  -3.000   0.400  -3.375
  117    HB3  CYS  14          1HB       CYS  14  -1.610   1.469  -3.238
  118    H    THR  15           H        THR  15  -1.177   1.722   0.358
  119    HA   THR  15           HA       THR  15  -3.700   3.142   0.564
  120    HB   THR  15           HB       THR  15  -2.787   2.089   2.672
  121    HG1  THR  15          1HG       THR  15  -2.600   4.827   3.212
  122   HG21  THR  15          1HG2      THR  15  -0.383   2.370   2.249
  123   HG22  THR  15          2HG2      THR  15  -0.836   3.109   3.785
  124   HG23  THR  15          3HG2      THR  15  -0.563   4.121   2.367
  125    H    VAL  16           H        VAL  16  -3.537   5.490   0.570
  126    HA   VAL  16           HA       VAL  16  -1.111   6.298  -0.820
  127    HB   VAL  16           HB       VAL  16  -3.008   6.235  -2.363
  128   HG11  VAL  16          1HG1      VAL  16  -4.287   8.299  -0.598
  129   HG12  VAL  16          2HG1      VAL  16  -4.855   6.654  -0.891
  130   HG13  VAL  16          3HG1      VAL  16  -4.851   7.834  -2.201
  131   HG21  VAL  16          1HG2      VAL  16  -2.820   8.505  -3.269
  132   HG22  VAL  16          2HG2      VAL  16  -1.258   7.823  -2.813
  133   HG23  VAL  16          3HG2      VAL  16  -2.035   9.021  -1.777
  134    H    ARG  17           H        ARG  17  -0.017   7.953  -0.146
  135    HA   ARG  17           HA       ARG  17  -1.193   9.630   1.926
  136    HB2  ARG  17          2HB       ARG  17   1.645   8.637   1.624
  137    HB3  ARG  17          1HB       ARG  17   1.195   9.941   2.710
  138    HG2  ARG  17          2HG       ARG  17  -0.229   8.448   3.967
  139    HG3  ARG  17          1HG       ARG  17   0.111   7.137   2.838
  140    HD2  ARG  17          2HD       ARG  17   1.432   6.951   4.893
  141    HD3  ARG  17          1HD       ARG  17   2.449   7.165   3.470
  142    HE   ARG  17           HE       ARG  17   1.991   9.676   4.536
  143   HH11  ARG  17          1HH1      ARG  17   3.558   6.670   5.560
  144   HH12  ARG  17          2HH1      ARG  17   4.719   7.451   6.538
  145   HH21  ARG  17          1HH2      ARG  17   3.606  10.742   5.890
  146   HH22  ARG  17          2HH2      ARG  17   4.732   9.804   6.737
  147    HA   DPR  18           HA       DPR  18   0.077  13.276  -0.309
  148    HB2  DPR  18          1HB       DPR  18  -2.708  13.088  -1.351
  149    HB3  DPR  18          2HB       DPR  18  -1.887  14.452  -0.590
  150    HG2  DPR  18          1HG       DPR  18  -3.716  13.034   0.736
  151    HG3  DPR  18          2HG       DPR  18  -2.270  13.656   1.548
  152    HD2  DPR  18          1HD       DPR  18  -2.891  10.876   0.654
  153    HD3  DPR  18          2HD       DPR  18  -2.014  11.448   2.087
  Start of MODEL   19
    1    HA   PRO   1           HA       PRO   1   1.389  12.447  -3.820
    2    HB2  PRO   1          2HB       PRO   1   3.896  13.254  -3.391
    3    HB3  PRO   1          1HB       PRO   1   2.572  14.417  -3.507
    4    HG2  PRO   1          2HG       PRO   1   4.008  13.419  -1.097
    5    HG3  PRO   1          1HG       PRO   1   3.341  15.027  -1.420
    6    HD2  PRO   1          2HD       PRO   1   2.127  13.009   0.109
    7    HD3  PRO   1          1HD       PRO   1   1.328  14.461  -0.518
    8    H    VAL   2           H        VAL   2   1.743  10.675  -1.040
    9    HA   VAL   2           HA       VAL   2   3.825   9.027  -2.253
   10    HB   VAL   2           HB       VAL   2   3.210   9.166   0.701
   11   HG11  VAL   2          1HG1      VAL   2   4.175   7.071  -0.019
   12   HG12  VAL   2          2HG1      VAL   2   5.355   7.986   0.917
   13   HG13  VAL   2          3HG1      VAL   2   5.478   7.922  -0.840
   14   HG21  VAL   2          1HG2      VAL   2   4.116  11.314  -0.043
   15   HG22  VAL   2          2HG2      VAL   2   5.471  10.488  -0.812
   16   HG23  VAL   2          3HG2      VAL   2   5.290  10.447   0.943
   17    H    THR   3           H        THR   3   3.108   7.192  -2.984
   18    HA   THR   3           HA       THR   3   0.738   6.012  -1.762
   19    HB   THR   3           HB       THR   3   1.914   5.569  -4.522
   20    HG1  THR   3          1HG       THR   3   0.687   7.589  -3.693
   21   HG21  THR   3          1HG2      THR   3   0.692   3.597  -3.681
   22   HG22  THR   3          2HG2      THR   3  -0.226   4.380  -4.967
   23   HG23  THR   3          3HG2      THR   3  -0.688   4.614  -3.280
   24    H    TRP   4           H        TRP   4   0.961   4.113  -0.788
   25    HA   TRP   4           HA       TRP   4   3.548   2.722  -1.025
   26    HB2  TRP   4          2HB       TRP   4   1.643   2.779   1.327
   27    HB3  TRP   4          1HB       TRP   4   3.133   1.856   1.246
   28    HD1  TRP   4           HD       TRP   4   1.798   5.356   1.841
   29    HE1  TRP   4          1HE       TRP   4   3.731   6.836   2.733
   30    HE3  TRP   4          3HE       TRP   4   5.698   2.154   1.099
   31    HZ2  TRP   4          2HZ       TRP   4   6.513   6.661   3.060
   32    HZ3  TRP   4          3HZ       TRP   4   7.956   2.881   1.713
   33    HH2  TRP   4           HH       TRP   4   8.354   5.098   2.675
   34    H    CYS   5           H        CYS   5   3.165   1.073  -2.409
   35    HA   CYS   5           HA       CYS   5   0.732  -0.468  -2.012
   36    HB2  CYS   5          2HB       CYS   5   2.841  -0.653  -4.174
   37    HB3  CYS   5          1HB       CYS   5   1.408  -1.667  -4.073
   38    H    VAL   6           H        VAL   6   0.961  -1.684  -0.334
   39    HA   VAL   6           HA       VAL   6   3.484  -3.086   0.016
   40    HB   VAL   6           HB       VAL   6   2.677  -3.643   2.315
   41   HG11  VAL   6          1HG1      VAL   6   2.697  -0.701   1.642
   42   HG12  VAL   6          2HG1      VAL   6   4.113  -1.711   1.927
   43   HG13  VAL   6          3HG1      VAL   6   2.980  -1.397   3.239
   44   HG21  VAL   6          1HG2      VAL   6   0.392  -1.778   1.633
   45   HG22  VAL   6          2HG2      VAL   6   0.722  -2.461   3.227
   46   HG23  VAL   6          3HG2      VAL   6   0.260  -3.515   1.893
   47    H    ARG   7           H        ARG   7   3.609  -5.204   0.138
   48    HA   ARG   7           HA       ARG   7   1.355  -6.698  -0.997
   49    HB2  ARG   7          2HB       ARG   7   4.311  -7.282  -0.926
   50    HB3  ARG   7          1HB       ARG   7   3.101  -8.298  -1.698
   51    HG2  ARG   7          2HG       ARG   7   2.709  -6.721  -3.391
   52    HG3  ARG   7          1HG       ARG   7   3.491  -5.429  -2.478
   53    HD2  ARG   7          2HD       ARG   7   4.874  -7.854  -3.614
   54    HD3  ARG   7          1HD       ARG   7   4.875  -6.245  -4.339
   55    HE   ARG   7           HE       ARG   7   5.849  -6.551  -1.608
   56   HH11  ARG   7          1HH1      ARG   7   6.621  -5.966  -5.013
   57   HH12  ARG   7          2HH1      ARG   7   8.129  -5.274  -4.690
   58   HH21  ARG   7          1HH2      ARG   7   7.928  -5.663  -1.167
   59   HH22  ARG   7          2HH2      ARG   7   8.915  -5.126  -2.448
   60    H    ILE   8           H        ILE   8   0.217  -7.485   0.714
   61    HA   ILE   8           HA       ILE   8   1.708  -8.737   2.900
   62    HB   ILE   8           HB       ILE   8  -1.197  -7.849   2.833
   63   HG12  ILE   8          2HG1      ILE   8   1.148  -6.516   4.211
   64   HG13  ILE   8          1HG1      ILE   8   0.440  -5.958   2.701
   65   HG21  ILE   8          1HG2      ILE   8  -1.106  -8.183   5.275
   66   HG22  ILE   8          2HG2      ILE   8   0.551  -8.767   5.129
   67   HG23  ILE   8          3HG2      ILE   8  -0.773  -9.680   4.404
   68   HD11  ILE   8          1HD1      ILE   8  -0.964  -6.120   5.355
   69   HD12  ILE   8          2HD1      ILE   8  -1.671  -5.544   3.846
   70   HD13  ILE   8          3HD1      ILE   8  -0.345  -4.657   4.595
   71    HA   DPR   9           HA       DPR   9  -0.115 -12.772   2.251
   72    HB2  DPR   9          1HB       DPR   9   2.275 -13.200   0.524
   73    HB3  DPR   9          2HB       DPR   9   1.677 -14.179   1.868
   74    HG2  DPR   9          1HG       DPR   9   3.815 -12.625   2.150
   75    HG3  DPR   9          2HG       DPR   9   2.640 -12.812   3.460
   76    HD2  DPR   9          1HD       DPR   9   3.046 -10.521   1.590
   77    HD3  DPR   9          2HD       DPR   9   2.576 -10.527   3.302
   78    HA   PRO  10           HA       PRO  10  -1.354 -12.962  -2.090
   79    HB2  PRO  10          2HB       PRO  10  -3.854 -13.705  -1.719
   80    HB3  PRO  10          1HB       PRO  10  -2.528 -14.777  -1.240
   81    HG2  PRO  10          2HG       PRO  10  -4.277 -13.067   0.472
   82    HG3  PRO  10          1HG       PRO  10  -3.624 -14.683   0.789
   83    HD2  PRO  10          2HD       PRO  10  -2.549 -12.232   1.688
   84    HD3  PRO  10          1HD       PRO  10  -1.765 -13.822   1.742
   85    H    THR  11           H        THR  11  -1.899 -10.509  -0.008
   86    HA   THR  11           HA       THR  11  -3.799  -9.175  -1.792
   87    HB   THR  11           HB       THR  11  -4.511  -7.940   0.374
   88    HG1  THR  11          1HG       THR  11  -2.722  -9.355   1.476
   89   HG21  THR  11          1HG2      THR  11  -5.299 -10.821  -0.108
   90   HG22  THR  11          2HG2      THR  11  -6.016  -9.404  -0.882
   91   HG23  THR  11          3HG2      THR  11  -6.219  -9.662   0.849
   92    H    VAL  12           H        VAL  12  -2.805  -7.539  -2.774
   93    HA   VAL  12           HA       VAL  12  -0.751  -6.093  -1.295
   94    HB   VAL  12           HB       VAL  12  -0.170  -4.971  -3.364
   95   HG11  VAL  12          1HG1      VAL  12   0.772  -7.185  -3.037
   96   HG12  VAL  12          2HG1      VAL  12   0.538  -6.843  -4.750
   97   HG13  VAL  12          3HG1      VAL  12  -0.587  -7.900  -3.899
   98   HG21  VAL  12          1HG2      VAL  12  -2.412  -4.671  -4.287
   99   HG22  VAL  12          2HG2      VAL  12  -2.505  -6.397  -4.640
  100   HG23  VAL  12          3HG2      VAL  12  -1.331  -5.385  -5.481
  101    H    ARG  13           H        ARG  13  -0.915  -3.842  -0.988
  102    HA   ARG  13           HA       ARG  13  -3.597  -2.704  -1.356
  103    HB2  ARG  13          2HB       ARG  13  -3.486  -3.602   0.925
  104    HB3  ARG  13          1HB       ARG  13  -2.019  -2.688   1.219
  105    HG2  ARG  13          2HG       ARG  13  -3.259  -0.599   0.985
  106    HG3  ARG  13          1HG       ARG  13  -4.737  -1.507   0.668
  107    HD2  ARG  13          2HD       ARG  13  -4.645  -0.781   2.990
  108    HD3  ARG  13          1HD       ARG  13  -4.583  -2.533   2.888
  109    HE   ARG  13           HE       ARG  13  -2.125  -0.956   3.162
  110   HH11  ARG  13          1HH1      ARG  13  -4.233  -3.542   4.385
  111   HH12  ARG  13          2HH1      ARG  13  -3.243  -3.920   5.708
  112   HH21  ARG  13          1HH2      ARG  13  -0.726  -1.512   4.945
  113   HH22  ARG  13          2HH2      ARG  13  -1.156  -2.747   6.025
  114    H    CYS  14           H        CYS  14  -3.361  -0.880  -2.448
  115    HA   CYS  14           HA       CYS  14  -0.888   0.653  -2.120
  116    HB2  CYS  14          2HB       CYS  14  -3.028   0.790  -4.248
  117    HB3  CYS  14          1HB       CYS  14  -1.667   1.897  -4.144
  118    H    THR  15           H        THR  15  -1.125   1.889  -0.371
  119    HA   THR  15           HA       THR  15  -3.585   3.403  -0.175
  120    HB   THR  15           HB       THR  15  -2.867   2.405   1.944
  121    HG1  THR  15          1HG       THR  15  -3.712   4.151   2.751
  122   HG21  THR  15          1HG2      THR  15  -0.369   4.066   1.638
  123   HG22  THR  15          2HG2      THR  15  -0.456   2.304   1.564
  124   HG23  THR  15          3HG2      THR  15  -0.800   3.146   3.080
  125    H    VAL  16           H        VAL  16  -3.758   5.268  -0.975
  126    HA   VAL  16           HA       VAL  16  -1.371   6.730  -1.794
  127    HB   VAL  16           HB       VAL  16  -4.276   7.312  -2.474
  128   HG11  VAL  16          1HG1      VAL  16  -1.721   8.429  -3.633
  129   HG12  VAL  16          2HG1      VAL  16  -2.864   9.291  -2.603
  130   HG13  VAL  16          3HG1      VAL  16  -3.348   8.777  -4.219
  131   HG21  VAL  16          1HG2      VAL  16  -2.166   5.982  -4.170
  132   HG22  VAL  16          2HG2      VAL  16  -3.801   6.393  -4.688
  133   HG23  VAL  16          3HG2      VAL  16  -3.548   5.176  -3.433
  134    H    ARG  17           H        ARG  17  -0.641   7.904  -0.173
  135    HA   ARG  17           HA       ARG  17  -2.582   9.534   1.236
  136    HB2  ARG  17          2HB       ARG  17  -0.025   8.307   2.301
  137    HB3  ARG  17          1HB       ARG  17  -0.948   9.532   3.163
  138    HG2  ARG  17          2HG       ARG  17  -2.891   8.028   3.217
  139    HG3  ARG  17          1HG       ARG  17  -1.950   6.798   2.377
  140    HD2  ARG  17          2HD       ARG  17  -1.232   7.978   5.057
  141    HD3  ARG  17          1HD       ARG  17  -2.095   6.461   4.836
  142    HE   ARG  17           HE       ARG  17  -0.099   5.684   3.627
  143   HH11  ARG  17          1HH1      ARG  17   0.268   8.343   5.960
  144   HH12  ARG  17          2HH1      ARG  17   1.837   7.921   6.421
  145   HH21  ARG  17          1HH2      ARG  17   2.139   5.136   4.278
  146   HH22  ARG  17          2HH2      ARG  17   2.918   6.098   5.433
  147    HA   DPR  18           HA       DPR  18  -0.213  13.213   0.320
  148    HB2  DPR  18          1HB       DPR  18  -2.286  13.438  -1.802
  149    HB3  DPR  18          2HB       DPR  18  -1.810  14.619  -0.577
  150    HG2  DPR  18          1HG       DPR  18  -4.106  13.296  -0.364
  151    HG3  DPR  18          2HG       DPR  18  -3.105  13.626   1.061
  152    HD2  DPR  18          1HD       DPR  18  -3.429  11.087  -0.480
  153    HD3  DPR  18          2HD       DPR  18  -3.303  11.360   1.273
  Start of MODEL   20
    1    HA   PRO   1           HA       PRO   1   0.213  12.312  -4.099
    2    HB2  PRO   1          2HB       PRO   1   2.766  13.063  -4.273
    3    HB3  PRO   1          1HB       PRO   1   1.472  14.254  -4.100
    4    HG2  PRO   1          2HG       PRO   1   3.384  13.224  -2.048
    5    HG3  PRO   1          1HG       PRO   1   2.752  14.864  -2.271
    6    HD2  PRO   1          2HD       PRO   1   1.800  13.014  -0.421
    7    HD3  PRO   1          1HD       PRO   1   0.913  14.440  -0.999
    8    H    VAL   2           H        VAL   2   1.564  10.777  -1.389
    9    HA   VAL   2           HA       VAL   2   3.427   9.141  -2.923
   10    HB   VAL   2           HB       VAL   2   2.905   9.031   0.052
   11   HG11  VAL   2          1HG1      VAL   2   5.140   8.055   0.169
   12   HG12  VAL   2          2HG1      VAL   2   5.268   8.149  -1.588
   13   HG13  VAL   2          3HG1      VAL   2   4.059   7.100  -0.846
   14   HG21  VAL   2          1HG2      VAL   2   3.567  11.309  -0.514
   15   HG22  VAL   2          2HG2      VAL   2   4.969  10.694  -1.390
   16   HG23  VAL   2          3HG2      VAL   2   4.861  10.486   0.356
   17    H    THR   3           H        THR   3   3.144   6.935  -3.203
   18    HA   THR   3           HA       THR   3   0.739   5.752  -2.042
   19    HB   THR   3           HB       THR   3   1.847   5.138  -4.795
   20    HG1  THR   3          1HG       THR   3   0.266   7.150  -3.864
   21   HG21  THR   3          1HG2      THR   3  -0.791   4.453  -3.466
   22   HG22  THR   3          2HG2      THR   3   0.535   3.326  -3.745
   23   HG23  THR   3          3HG2      THR   3  -0.332   4.025  -5.113
   24    H    TRP   4           H        TRP   4   1.169   3.983  -0.905
   25    HA   TRP   4           HA       TRP   4   3.803   2.726  -1.178
   26    HB2  TRP   4          2HB       TRP   4   1.950   2.890   1.208
   27    HB3  TRP   4          1HB       TRP   4   3.442   1.962   1.165
   28    HD1  TRP   4           HD       TRP   4   2.150   5.556   1.356
   29    HE1  TRP   4          1HE       TRP   4   4.089   7.078   2.100
   30    HE3  TRP   4          3HE       TRP   4   5.925   2.168   1.157
   31    HZ2  TRP   4          2HZ       TRP   4   6.865   6.848   2.563
   32    HZ3  TRP   4          3HZ       TRP   4   8.213   2.880   1.773
   33    HH2  TRP   4           HH       TRP   4   8.661   5.180   2.460
   34    H    CYS   5           H        CYS   5   3.678   0.788  -2.117
   35    HA   CYS   5           HA       CYS   5   1.178  -0.684  -1.863
   36    HB2  CYS   5          2HB       CYS   5   3.424  -0.982  -3.861
   37    HB3  CYS   5          1HB       CYS   5   2.040  -2.068  -3.755
   38    H    VAL   6           H        VAL   6   1.206  -1.718  -0.106
   39    HA   VAL   6           HA       VAL   6   3.578  -3.223   0.694
   40    HB   VAL   6           HB       VAL   6   1.046  -2.639   2.266
   41   HG11  VAL   6          1HG1      VAL   6   2.333  -3.326   4.223
   42   HG12  VAL   6          2HG1      VAL   6   3.718  -3.680   3.194
   43   HG13  VAL   6          3HG1      VAL   6   2.240  -4.628   3.034
   44   HG21  VAL   6          1HG2      VAL   6   3.723  -1.250   2.404
   45   HG22  VAL   6          2HG2      VAL   6   2.366  -0.967   3.494
   46   HG23  VAL   6          3HG2      VAL   6   2.222  -0.560   1.784
   47    H    ARG   7           H        ARG   7   3.536  -5.265  -0.010
   48    HA   ARG   7           HA       ARG   7   0.980  -6.468  -0.606
   49    HB2  ARG   7          2HB       ARG   7   2.188  -8.290  -1.676
   50    HB3  ARG   7          1HB       ARG   7   2.830  -6.765  -2.246
   51    HG2  ARG   7          2HG       ARG   7   4.744  -7.044  -0.697
   52    HG3  ARG   7          1HG       ARG   7   4.085  -8.607  -0.225
   53    HD2  ARG   7          2HD       ARG   7   4.218  -9.308  -2.608
   54    HD3  ARG   7          1HD       ARG   7   5.037  -7.789  -2.966
   55    HE   ARG   7           HE       ARG   7   6.041  -9.989  -1.327
   56   HH11  ARG   7          1HH1      ARG   7   6.689  -6.894  -2.907
   57   HH12  ARG   7          2HH1      ARG   7   8.375  -7.084  -2.951
   58   HH21  ARG   7          1HH2      ARG   7   8.399 -10.254  -1.362
   59   HH22  ARG   7          2HH2      ARG   7   9.363  -9.016  -2.003
   60    H    ILE   8           H        ILE   8  -0.098  -7.304   0.894
   61    HA   ILE   8           HA       ILE   8   1.250  -8.670   3.094
   62    HB   ILE   8           HB       ILE   8  -1.546  -7.473   2.939
   63   HG12  ILE   8          2HG1      ILE   8   0.861  -6.611   4.568
   64   HG13  ILE   8          1HG1      ILE   8   0.299  -5.819   3.102
   65   HG21  ILE   8          1HG2      ILE   8  -0.157  -8.821   5.263
   66   HG22  ILE   8          2HG2      ILE   8  -1.511  -9.477   4.344
   67   HG23  ILE   8          3HG2      ILE   8  -1.732  -8.027   5.323
   68   HD11  ILE   8          1HD1      ILE   8  -0.369  -4.623   5.114
   69   HD12  ILE   8          2HD1      ILE   8  -1.246  -6.050   5.676
   70   HD13  ILE   8          3HD1      ILE   8  -1.760  -5.212   4.212
   71    HA   DPR   9           HA       DPR   9  -0.799 -12.521   2.045
   72    HB2  DPR   9          1HB       DPR   9   1.782 -13.063   0.660
   73    HB3  DPR   9          2HB       DPR   9   0.950 -14.028   1.886
   74    HG2  DPR   9          1HG       DPR   9   3.139 -12.646   2.497
   75    HG3  DPR   9          2HG       DPR   9   1.785 -12.764   3.633
   76    HD2  DPR   9          1HD       DPR   9   2.570 -10.499   1.846
   77    HD3  DPR   9          2HD       DPR   9   1.965 -10.484   3.517
   78    HA   PRO  10           HA       PRO  10  -1.375 -12.273  -2.445
   79    HB2  PRO  10          2HB       PRO  10  -3.993 -12.663  -2.486
   80    HB3  PRO  10          1HB       PRO  10  -2.903 -13.970  -2.008
   81    HG2  PRO  10          2HG       PRO  10  -4.570 -12.183  -0.286
   82    HG3  PRO  10          1HG       PRO  10  -4.287 -13.925  -0.138
   83    HD2  PRO  10          2HD       PRO  10  -2.945 -11.956   1.298
   84    HD3  PRO  10          1HD       PRO  10  -2.359 -13.613   1.043
   85    H    THR  11           H        THR  11  -2.256 -10.024  -0.077
   86    HA   THR  11           HA       THR  11  -3.863  -8.426  -1.911
   87    HB   THR  11           HB       THR  11  -3.332  -8.034   0.978
   88    HG1  THR  11          1HG       THR  11  -5.251  -9.495  -0.483
   89   HG21  THR  11          1HG2      THR  11  -5.405  -6.658   0.906
   90   HG22  THR  11          2HG2      THR  11  -5.491  -6.931  -0.833
   91   HG23  THR  11          3HG2      THR  11  -4.141  -6.025  -0.150
   92    H    VAL  12           H        VAL  12  -2.656  -7.195  -3.052
   93    HA   VAL  12           HA       VAL  12  -0.326  -5.821  -1.989
   94    HB   VAL  12           HB       VAL  12  -1.665  -5.415  -4.696
   95   HG11  VAL  12          1HG1      VAL  12   0.467  -4.392  -5.353
   96   HG12  VAL  12          2HG1      VAL  12   1.072  -4.609  -3.710
   97   HG13  VAL  12          3HG1      VAL  12  -0.287  -3.527  -4.013
   98   HG21  VAL  12          1HG2      VAL  12   0.729  -7.120  -4.001
   99   HG22  VAL  12          2HG2      VAL  12   0.127  -6.811  -5.628
  100   HG23  VAL  12          3HG2      VAL  12  -0.861  -7.712  -4.479
  101    H    ARG  13           H        ARG  13  -0.925  -4.410  -0.519
  102    HA   ARG  13           HA       ARG  13  -3.348  -2.848  -0.810
  103    HB2  ARG  13          2HB       ARG  13  -2.692  -3.971   1.329
  104    HB3  ARG  13          1HB       ARG  13  -1.287  -2.933   1.399
  105    HG2  ARG  13          2HG       ARG  13  -2.837  -2.001   2.888
  106    HG3  ARG  13          1HG       ARG  13  -2.900  -0.979   1.457
  107    HD2  ARG  13          2HD       ARG  13  -4.830  -3.239   1.958
  108    HD3  ARG  13          1HD       ARG  13  -5.134  -1.591   2.487
  109    HE   ARG  13           HE       ARG  13  -4.824  -1.078  -0.004
  110   HH11  ARG  13          1HH1      ARG  13  -6.347  -4.051   1.220
  111   HH12  ARG  13          2HH1      ARG  13  -7.399  -4.196  -0.106
  112   HH21  ARG  13          1HH2      ARG  13  -6.267  -1.303  -1.787
  113   HH22  ARG  13          2HH2      ARG  13  -7.362  -2.615  -1.847
  114    H    CYS  14           H        CYS  14  -2.831  -1.361  -2.439
  115    HA   CYS  14           HA       CYS  14  -0.491   0.301  -2.012
  116    HB2  CYS  14          2HB       CYS  14  -2.499   0.260  -4.276
  117    HB3  CYS  14          1HB       CYS  14  -1.156   1.390  -4.166
  118    H    THR  15           H        THR  15  -0.869   1.463  -0.322
  119    HA   THR  15           HA       THR  15  -3.376   2.889  -0.124
  120    HB   THR  15           HB       THR  15  -2.615   1.743   1.914
  121    HG1  THR  15          1HG       THR  15  -3.755   3.717   2.102
  122   HG21  THR  15          1HG2      THR  15  -0.623   2.506   3.150
  123   HG22  THR  15          2HG2      THR  15  -0.217   3.588   1.820
  124   HG23  THR  15          3HG2      THR  15  -0.186   1.840   1.576
  125    H    VAL  16           H        VAL  16  -3.523   5.076  -0.226
  126    HA   VAL  16           HA       VAL  16  -1.132   6.412  -1.219
  127    HB   VAL  16           HB       VAL  16  -2.988   6.299  -2.847
  128   HG11  VAL  16          1HG1      VAL  16  -4.551   7.906  -0.854
  129   HG12  VAL  16          2HG1      VAL  16  -4.893   6.266  -1.406
  130   HG13  VAL  16          3HG1      VAL  16  -5.026   7.623  -2.527
  131   HG21  VAL  16          1HG2      VAL  16  -3.074   8.680  -3.459
  132   HG22  VAL  16          2HG2      VAL  16  -1.448   8.166  -3.007
  133   HG23  VAL  16          3HG2      VAL  16  -2.427   9.099  -1.873
  134    H    ARG  17           H        ARG  17  -0.352   8.095  -0.209
  135    HA   ARG  17           HA       ARG  17  -1.887   9.320   1.944
  136    HB2  ARG  17          2HB       ARG  17   1.079   8.705   1.992
  137    HB3  ARG  17          1HB       ARG  17   0.181   9.524   3.255
  138    HG2  ARG  17          2HG       ARG  17  -1.167   7.431   3.514
  139    HG3  ARG  17          1HG       ARG  17  -0.007   6.643   2.438
  140    HD2  ARG  17          2HD       ARG  17   0.619   6.242   4.740
  141    HD3  ARG  17          1HD       ARG  17   1.805   7.305   3.975
  142    HE   ARG  17           HE       ARG  17  -0.242   8.796   5.221
  143   HH11  ARG  17          1HH1      ARG  17   2.718   7.030   5.969
  144   HH12  ARG  17          2HH1      ARG  17   3.026   7.853   7.413
  145   HH21  ARG  17          1HH2      ARG  17   0.169   9.972   7.131
  146   HH22  ARG  17          2HH2      ARG  17   1.525   9.602   8.107
  147    HA   DPR  18           HA       DPR  18  -0.402  13.219   0.280
  148    HB2  DPR  18          1HB       DPR  18  -2.994  13.122  -1.178
  149    HB3  DPR  18          2HB       DPR  18  -2.342  14.397  -0.147
  150    HG2  DPR  18          1HG       DPR  18  -4.323  12.833   0.715
  151    HG3  DPR  18          2HG       DPR  18  -3.020  13.335   1.805
  152    HD2  DPR  18          1HD       DPR  18  -3.432  10.709   0.429
  153    HD3  DPR  18          2HD       DPR  18  -2.872  11.061   2.079