*HEADER    METAL BINDING PROTEIN                   03-APR-18   6CXP              
*TITLE     HRFLRH PEPTIDE NMR STRUCTURE IN THE PRESENCE OF CD(II)                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEXAPEPTIDE HRFLRH;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PHYLLOMEDUSA CENTRALIS;                         
*SOURCE   4 ORGANISM_COMMON: MATO GROSSO LEAF FROG;                              
*SOURCE   5 ORGANISM_TAXID: 536631                                               
*KEYWDS    AMPHIBIAN SKIN SECRETION, METAL AFFINITY, CO2 AFFINITY, METAL BINDING 
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.A.T.PIRES,L.M.R.ARAKE,L.P.SILVA,A.LOPEZ-CASTILLO,M.V.PRATES,        
*AUTHOR   2 C.J.NASCIMENTO,C.BLOCH JR                                            
*REVDAT   1   04-JUL-18 6CXP    0                                                
# Restraints file 1: noe4.tbl
assign (resid 1 and name HD2) (resid 1 and name HB#) 3.400 1.6 0.0 ! 	 noe4.14
assign (resid 3 and name HN) (resid 2 and name HB#) 5.000 3.2 0.0 ! 	 noe4.21
assign (resid 5 and name HE) (resid 5 and name HD#) 3.400 1.6 0.0 ! 	 noe4.31
assign (resid 5 and name HE) (resid 5 and name HD#) 3.400 1.6 0.0 ! 	 noe4.32
assign (resid 2 and name HE) (resid 2 and name HD#) 3.400 1.6 0.0 ! 	 noe4.33
assign (resid 2 and name HE) (resid 2 and name HD#) 3.400 1.6 0.0 ! 	 noe4.34
assign (resid 4 and name HB#) (resid 4 and name HN) 3.400 1.6 0.0 ! 	 noe4.73
assign (resid 1 and name HB#) (resid 1 and name HD2) 5.000 3.2 0.0 ! 	 noe4.76
assign (resid 2 and name HD#) (resid 2 and name HE) 5.000 3.2 0.0 ! 	 noe4.77
assign (resid 5 and name HD#) (resid 5 and name HE) 5.000 3.2 0.0 ! 	 noe4.78
assign (resid 5 and name HD#) (resid 5 and name HE) 5.000 3.2 0.0 ! 	 noe4.79
assign (resid 3 and name HB2) (resid 3 and name HD#) 2.800 1.0 0.0 ! 	 noe4.80
assign (resid 3 and name HB1) (resid 3 and name HD#) 2.800 1.0 0.0 ! 	 noe4.81
assign (resid 1 and name HB#) (resid 1 and name HA) 5.000 3.2 0.0 ! 	 noe4.88
assign (resid 5 and name HD#) (resid 5 and name HA) 3.400 1.6 0.0 ! 	 noe4.89
assign (resid 4 and name HB#) (resid 4 and name HA) 3.400 1.6 0.0 ! 	 noe4.94
assign (resid 2 and name HG#) (resid 2 and name HA) 5.000 3.2 0.0 ! 	 noe4.95
assign (resid 2 and name HB#) (resid 1 and name HA) 5.000 3.2 0.0 ! 	 noe4.99
assign (resid 2 and name HB#) (resid 2 and name HA) 2.800 1.0 0.0 ! 	 noe4.100
assign (resid 5 and name HB2) (resid 5 and name HD#) 3.400 1.6 0.0 ! 	 noe4.105
assign (resid 5 and name HB1) (resid 5 and name HD#) 2.800 1.0 0.0 ! 	 noe4.106
assign (resid 2 and name HB#) (resid 2 and name HD#) 2.800 1.0 0.0 ! 	 noe4.107
assign (resid 5 and name HG2) (resid 5 and name HD#) 5.000 3.2 0.0 ! 	 noe4.108
assign (resid 2 and name HG#) (resid 2 and name HD#) 2.800 1.0 0.0 ! 	 noe4.109
assign (resid 5 and name HG1) (resid 5 and name HD#) 3.400 1.6 0.0 ! 	 noe4.110
assign (resid 4 and name HD1#) (resid 4 and name HB#) 3.400 1.6 0.0 ! 	 noe4.113
assign (resid 4 and name HD2#) (resid 4 and name HB#) 2.800 1.0 0.0 ! 	 noe4.114
assign (resid 4 and name HB#) (resid 4 and name HD1#) 3.400 1.6 0.0 ! 	 noe4.116
assign (resid 5 and name HD#) (resid 5 and name HB1) 3.400 1.6 0.0 ! 	 noe4.118
assign (resid 5 and name HD#) (resid 5 and name HB2) 3.400 1.6 0.0 ! 	 noe4.119
assign (resid 2 and name HD#) (resid 2 and name HB#) 2.800 1.0 0.0 ! 	 noe4.120
assign (resid 5 and name HD#) (resid 5 and name HG2) 3.400 1.6 0.0 ! 	 noe4.121
assign (resid 2 and name HD#) (resid 2 and name HG#) 2.800 1.0 0.0 ! 	 noe4.122
assign (resid 5 and name HD#) (resid 5 and name HG1) 3.400 1.6 0.0 ! 	 noe4.123
assign (resid 2 and name HA) (resid 2 and name HB#) 2.800 1.0 0.0 ! 	 noe4.128
assign (resid 4 and name HA) (resid 4 and name HB#) 2.800 1.0 0.0 ! 	 noe4.130
assign (resid 2 and name HA) (resid 2 and name HG#) 5.000 3.2 0.0 ! 	 noe4.131
assign (resid 4 and name HB#) (resid 4 and name HD2#) 3.400 1.6 0.0 ! 	 noe4.144
assign (resid 1 and name HA) (resid 1 and name HB#) 2.800 1.0 0.0 ! 	 noe4.147
assign (resid 2 and name HA) (resid 2 and name HD#) 5.000 3.2 0.0 ! 	 noe4.152
assign (resid 2 and name HD#) (resid 2 and name HA) 5.000 3.2 0.0 ! 	 noe4.164
assign (resid 3 and name HD#) (resid 3 and name HN) 5.000 3.2 0.0 ! 	 noe4.178
assign (resid 3 and name HZ) (resid 3 and name HE#) 2.800 1.0 0.0 ! 	 noe4.186
assign (resid 3 and name HE#) (resid 3 and name HZ) 2.800 1.0 0.0 ! 	 noe4.187
assign (resid 5 and name HA) (resid 5 and name HD#) 5.000 3.2 0.0 ! 	 noe4.190
assign (resid 1 and name HD2) (resid 1 and name HA) 5.000 3.2 0.0 ! 	 noe4.10
assign (resid 2 and name HN) (resid 1 and name HA) 5.000 3.2 0.0 ! 	 noe4.11
assign (resid 3 and name HD1) (resid 2 and name HA) 5.000 3.2 0.0 ! 	 noe4.136
assign (resid 3 and name HN) (resid 2 and name HA) 2.800 1.0 0.0 ! 	 noe4.5
assign (resid 2 and name HA) (resid 3 and name HN) 2.800 1.0 0.0 ! 	 noe4.64
assign (resid 3 and name HB1) (resid 3 and name HA) 2.800 1.0 0.0 ! 	 noe4.85
assign (resid 3 and name HA) (resid 3 and name HB1) 5.000 3.2 0.0 ! 	 noe4.181
assign (resid 3 and name HB2) (resid 3 and name HA) 2.800 1.0 0.0 ! 	 noe4.84
assign (resid 3 and name HA) (resid 3 and name HB2) 5.000 3.2 0.0 ! 	 noe4.151
assign (resid 3 and name HB2) (resid 3 and name HB1) 2.800 1.0 0.0 ! 	 noe4.183
assign (resid 3 and name HB1) (resid 3 and name HB2) 2.800 1.0 0.0 ! 	 noe4.184
assign (resid 3 and name HN) (resid 3 and name HA) 5.000 3.2 0.0 ! 	 noe4.3
assign (resid 3 and name HN) (resid 3 and name HB1) 3.400 1.6 0.0 ! 	 noe4.24
assign (resid 3 and name HB1) (resid 3 and name HN) 5.000 3.2 0.0 ! 	 noe4.69
assign (resid 3 and name HN) (resid 3 and name HB2) 3.400 1.6 0.0 ! 	 noe4.25
assign (resid 3 and name HB2) (resid 3 and name HN) 5.000 3.2 0.0 ! 	 noe4.68
assign (resid 3 and name HD1) (resid 4 and name HG) 5.000 3.2 0.0 ! 	 noe4.41
assign (resid 4 and name HN) (resid 3 and name HA) 2.800 1.0 0.0 ! 	 noe4.4
assign (resid 3 and name HA) (resid 4 and name HN) 5.000 3.2 0.0 ! 	 noe4.182
assign (resid 4 and name HN) (resid 3 and name HB1) 5.000 3.2 0.0 ! 	 noe4.28
assign (resid 4 and name HN) (resid 3 and name HB2) 5.000 3.2 0.0 ! 	 noe4.29
assign (resid 4 and name HD1#) (resid 4 and name HA) 3.400 1.6 0.0 ! 	 noe4.102
assign (resid 4 and name HA) (resid 4 and name HD1#) 5.000 3.2 0.0 ! 	 noe4.133
assign (resid 4 and name HD2#) (resid 4 and name HA) 5.000 3.2 0.0 ! 	 noe4.101
assign (resid 4 and name HA) (resid 4 and name HD2#) 5.000 3.2 0.0 ! 	 noe4.132
assign (resid 4 and name HG) (resid 4 and name HA) 3.400 1.6 0.0 ! 	 noe4.141
assign (resid 4 and name HA) (resid 4 and name HG) 2.800 1.0 0.0 ! 	 noe4.146
assign (resid 4 and name HD1#) (resid 4 and name HG) 2.800 1.0 0.0 ! 	 noe4.115
assign (resid 4 and name HG) (resid 4 and name HD1#) 3.400 1.6 0.0 ! 	 noe4.143
assign (resid 4 and name HD2#) (resid 4 and name HG) 2.800 1.0 0.0 ! 	 noe4.112
assign (resid 4 and name HG) (resid 4 and name HD2#) 2.800 1.0 0.0 ! 	 noe4.117
assign (resid 4 and name HN) (resid 4 and name HA) 3.400 1.6 0.0 ! 	 noe4.2
assign (resid 4 and name HN) (resid 4 and name HG) 2.800 1.0 0.0 ! 	 noe4.19
assign (resid 4 and name HG) (resid 4 and name HN) 3.400 1.6 0.0 ! 	 noe4.72
assign (resid 5 and name HN) (resid 4 and name HA) 2.800 1.0 0.0 ! 	 noe4.6
assign (resid 4 and name HA) (resid 5 and name HN) 2.800 1.0 0.0 ! 	 noe4.62
assign (resid 5 and name HA) (resid 5 and name HB1) 3.400 1.6 0.0 ! 	 noe4.127
assign (resid 5 and name HB1) (resid 5 and name HA) 5.000 3.2 0.0 ! 	 noe4.142
assign (resid 5 and name HB2) (resid 5 and name HA) 3.400 1.6 0.0 ! 	 noe4.98
assign (resid 5 and name HA) (resid 5 and name HB2) 2.800 1.0 0.0 ! 	 noe4.126
assign (resid 5 and name HB2) (resid 5 and name HB1) 3.400 1.6 0.0 ! 	 noe4.166
assign (resid 5 and name HB1) (resid 5 and name HB2) 5.000 3.2 0.0 ! 	 noe4.167
assign (resid 5 and name HG1) (resid 5 and name HA) 3.400 1.6 0.0 ! 	 noe4.96
assign (resid 5 and name HA) (resid 5 and name HG1) 3.400 1.6 0.0 ! 	 noe4.145
assign (resid 5 and name HB2) (resid 5 and name HG1) 2.800 1.0 0.0 ! 	 noe4.172
assign (resid 5 and name HG1) (resid 5 and name HB2) 2.800 1.0 0.0 ! 	 noe4.173
assign (resid 5 and name HE) (resid 5 and name HG1) 5.000 3.2 0.0 ! 	 noe4.192
assign (resid 5 and name HG2) (resid 5 and name HA) 3.400 1.6 0.0 ! 	 noe4.97
assign (resid 5 and name HA) (resid 5 and name HG2) 5.000 3.2 0.0 ! 	 noe4.129
assign (resid 5 and name HG2) (resid 5 and name HB2) 2.800 1.0 0.0 ! 	 noe4.169
assign (resid 5 and name HB2) (resid 5 and name HG2) 2.800 1.0 0.0 ! 	 noe4.171
assign (resid 5 and name HE) (resid 5 and name HG2) 5.000 3.2 0.0 ! 	 noe4.191
assign (resid 5 and name HN) (resid 5 and name HA) 5.000 3.2 0.0 ! 	 noe4.7
assign (resid 5 and name HA) (resid 5 and name HN) 3.400 1.6 0.0 ! 	 noe4.63
assign (resid 5 and name HB1) (resid 5 and name HN) 5.000 3.2 0.0 ! 	 noe4.71
assign (resid 5 and name HN) (resid 5 and name HB1) 3.400 1.6 0.0 ! 	 noe4.135
assign (resid 5 and name HN) (resid 5 and name HB2) 5.000 3.2 0.0 ! 	 noe4.20
assign (resid 5 and name HB2) (resid 5 and name HN) 5.000 3.2 0.0 ! 	 noe4.70
assign (resid 5 and name HN) (resid 5 and name HG2) 5.000 3.2 0.0 ! 	 noe4.165
assign (resid 5 and name HE) (resid 6 and name HA) 5.000 3.2 0.0 ! 	 noe4.52
assign (resid 6 and name HD2) (resid 5 and name HA) 5.000 3.2 0.0 ! 	 noe4.54
assign (resid 6 and name HN) (resid 5 and name HA) 2.800 1.0 0.0 ! 	 noe4.8
assign (resid 5 and name HA) (resid 6 and name HN) 2.800 1.0 0.0 ! 	 noe4.65
assign (resid 6 and name HN) (resid 5 and name HB1) 5.000 3.2 0.0 ! 	 noe4.48
assign (resid 6 and name HB1) (resid 6 and name HA) 2.800 1.0 0.0 ! 	 noe4.83
assign (resid 6 and name HA) (resid 6 and name HB1) 5.000 3.2 0.0 ! 	 noe4.150
assign (resid 6 and name HB2) (resid 6 and name HA) 2.800 1.0 0.0 ! 	 noe4.82
assign (resid 6 and name HA) (resid 6 and name HB2) 5.000 3.2 0.0 ! 	 noe4.149
assign (resid 6 and name HB1) (resid 6 and name HB2) 2.800 1.0 0.0 ! 	 noe4.153
assign (resid 6 and name HB2) (resid 6 and name HB1) 2.800 1.0 0.0 ! 	 noe4.154
assign (resid 6 and name HD2) (resid 6 and name HA) 5.000 3.2 0.0 ! 	 noe4.49
assign (resid 6 and name HD2) (resid 6 and name HA) 5.000 3.2 0.0 ! 	 noe4.50
assign (resid 6 and name HD2) (resid 6 and name HB1) 5.000 3.2 0.0 ! 	 noe4.12
assign (resid 6 and name HD2) (resid 6 and name HB2) 5.000 3.2 0.0 ! 	 noe4.13
assign (resid 6 and name HB2) (resid 6 and name HD2) 5.000 3.2 0.0 ! 	 noe4.193
assign (resid 6 and name HE1) (resid 6 and name HD2) 5.000 3.2 0.0 ! 	 noe4.185
assign (resid 6 and name HN) (resid 6 and name HA) 5.000 3.2 0.0 ! 	 noe4.9
assign (resid 6 and name HN) (resid 6 and name HB1) 3.400 1.6 0.0 ! 	 noe4.26
assign (resid 6 and name HB1) (resid 6 and name HN) 5.000 3.2 0.0 ! 	 noe4.67
assign (resid 6 and name HN) (resid 6 and name HB2) 5.000 3.2 0.0 ! 	 noe4.27
assign (resid 6 and name HB2) (resid 6 and name HN) 5.000 3.2 0.0 ! 	 noe4.66
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           HT1      HIS   1   4.031   5.320   6.514
    2    H2   HIS   1           HT2      HIS   1   3.213   3.812   6.483
    3    H3   HIS   1           HT3      HIS   1   2.383   5.250   6.048
    4    HA   HIS   1           HA       HIS   1   3.522   5.478   4.092
    5    HB2  HIS   1           HB2      HIS   1   5.580   4.212   5.605
    6    HB3  HIS   1           HB1      HIS   1   5.351   3.282   4.128
    7    HD1  HIS   1           HD1      HIS   1   5.147   7.050   4.526
    8    HD2  HIS   1           HD2      HIS   1   7.435   4.157   2.613
    9    HE1  HIS   1           HE1      HIS   1   6.743   8.320   3.054
   10    HE2  HIS   1           HE2      HIS   1   8.176   6.552   1.975
   11    H    ARG   2           HN       ARG   2   1.368   3.757   5.205
   12    HA   ARG   2           HA       ARG   2   1.391   1.233   3.944
   13    HB2  ARG   2           HB2      ARG   2  -0.159   2.153   5.812
   14    HB3  ARG   2           HB1      ARG   2  -1.132   2.770   4.484
   15    HG2  ARG   2           HG2      ARG   2  -1.971   0.758   4.008
   16    HG3  ARG   2           HG1      ARG   2  -0.395  -0.037   4.173
   17    HD2  ARG   2           HD2      ARG   2  -0.665   0.111   6.648
   18    HD3  ARG   2           HD1      ARG   2  -2.297   0.725   6.388
   19    HE   ARG   2           HE       ARG   2  -2.976  -1.416   6.011
   20   HH11  ARG   2          HH11      ARG   2   0.473  -1.259   5.499
   21   HH12  ARG   2          HH12      ARG   2   0.639  -2.965   5.250
   22   HH21  ARG   2          HH21      ARG   2  -2.759  -3.659   5.684
   23   HH22  ARG   2          HH22      ARG   2  -1.195  -4.328   5.354
   24    H    PHE   3           HN       PHE   3   2.161   1.655   1.823
   25    HA   PHE   3           HA       PHE   3   0.453   3.201   0.048
   26    HB2  PHE   3           HB2      PHE   3   3.219   2.465   0.103
   27    HB3  PHE   3           HB1      PHE   3   2.503   1.958  -1.432
   28    HD1  PHE   3           HD1      PHE   3   2.647   4.906   0.849
   29    HD2  PHE   3           HD2      PHE   3   2.395   3.479  -3.153
   30    HE1  PHE   3           HE1      PHE   3   2.818   7.216   0.018
   31    HE2  PHE   3           HE2      PHE   3   2.568   5.786  -3.991
   32    HZ   PHE   3           HZ       PHE   3   2.780   7.658  -2.405
   33    H    LEU   4           HN       LEU   4  -1.400   1.916  -0.064
   34    HA   LEU   4           HA       LEU   4  -1.533  -0.813  -0.486
   35    HB2  LEU   4           HB2      LEU   4  -3.404   1.313  -1.527
   36    HB3  LEU   4           HB1      LEU   4  -3.774  -0.399  -1.431
   37    HG   LEU   4           HG       LEU   4  -3.128   0.045   1.138
   38   HD11  LEU   4          HD11      LEU   4  -3.778   2.677  -0.039
   39   HD12  LEU   4          HD12      LEU   4  -2.757   2.267   1.339
   40   HD13  LEU   4          HD13      LEU   4  -4.512   2.288   1.517
   41   HD21  LEU   4          HD21      LEU   4  -5.721   0.655   1.287
   42   HD22  LEU   4          HD22      LEU   4  -5.145  -0.965   0.894
   43   HD23  LEU   4          HD23      LEU   4  -5.660   0.124  -0.394
   44    H    ARG   5           HN       ARG   5  -2.050  -2.040  -2.412
   45    HA   ARG   5           HA       ARG   5  -1.585  -0.928  -5.007
   46    HB2  ARG   5           HB2      ARG   5   0.721  -1.494  -3.696
   47    HB3  ARG   5           HB1      ARG   5   0.400  -3.053  -4.465
   48    HG2  ARG   5           HG2      ARG   5   0.724  -2.236  -6.567
   49    HG3  ARG   5           HG1      ARG   5   0.204  -0.605  -6.137
   50    HD2  ARG   5           HD2      ARG   5   2.453  -0.928  -4.608
   51    HD3  ARG   5           HD1      ARG   5   2.868  -1.813  -6.075
   52    HE   ARG   5           HE       ARG   5   1.756   0.773  -6.605
   53   HH11  ARG   5          HH11      ARG   5   4.687  -0.942  -5.802
   54   HH12  ARG   5          HH12      ARG   5   5.728   0.264  -6.480
   55   HH21  ARG   5          HH21      ARG   5   3.123   2.361  -7.498
   56   HH22  ARG   5          HH22      ARG   5   4.840   2.141  -7.443
   57    H    HIS   6           HN       HIS   6  -3.462  -1.873  -5.676
   58    HA   HIS   6           HA       HIS   6  -3.524  -4.820  -5.652
   59    HB2  HIS   6           HB2      HIS   6  -6.010  -4.632  -5.697
   60    HB3  HIS   6           HB1      HIS   6  -5.284  -3.984  -4.219
   61    HD1  HIS   6           HD1      HIS   6  -4.906  -1.232  -4.376
   62    HD2  HIS   6           HD2      HIS   6  -7.805  -2.950  -6.808
   63    HE1  HIS   6           HE1      HIS   6  -6.426   0.656  -5.046
   64    HE2  HIS   6           HE2      HIS   6  -8.125  -0.393  -6.583
  Start of MODEL    2
    1    H1   HIS   1           HT1      HIS   1   2.763   4.481   6.151
    2    H2   HIS   1           HT2      HIS   1   1.556   5.578   5.615
    3    H3   HIS   1           HT3      HIS   1   3.122   6.152   6.019
    4    HA   HIS   1           HA       HIS   1   2.568   5.925   3.609
    5    HB2  HIS   1           HB2      HIS   1   4.963   4.760   5.009
    6    HB3  HIS   1           HB1      HIS   1   4.890   4.818   3.251
    7    HD1  HIS   1           HD1      HIS   1   5.185   7.098   2.129
    8    HD2  HIS   1           HD2      HIS   1   5.203   7.272   6.281
    9    HE1  HIS   1           HE1      HIS   1   5.981   9.414   2.702
   10    HE2  HIS   1           HE2      HIS   1   5.899   9.525   5.217
   11    H    ARG   2           HN       ARG   2   0.988   3.796   4.922
   12    HA   ARG   2           HA       ARG   2   1.756   1.285   3.820
   13    HB2  ARG   2           HB2      ARG   2   0.164   1.789   5.803
   14    HB3  ARG   2           HB1      ARG   2  -1.066   1.998   4.565
   15    HG2  ARG   2           HG2      ARG   2  -0.535  -0.299   3.749
   16    HG3  ARG   2           HG1      ARG   2   0.527  -0.486   5.156
   17    HD2  ARG   2           HD2      ARG   2  -1.671   0.329   6.416
   18    HD3  ARG   2           HD1      ARG   2  -2.437  -0.387   4.999
   19    HE   ARG   2           HE       ARG   2  -0.553  -2.195   6.025
   20   HH11  ARG   2          HH11      ARG   2  -3.637  -0.792   6.859
   21   HH12  ARG   2          HH12      ARG   2  -4.146  -2.156   7.795
   22   HH21  ARG   2          HH21      ARG   2  -1.220  -3.991   7.255
   23   HH22  ARG   2          HH22      ARG   2  -2.774  -3.973   8.021
   24    H    PHE   3           HN       PHE   3   2.194   2.107   1.624
   25    HA   PHE   3           HA       PHE   3  -0.136   2.707  -0.002
   26    HB2  PHE   3           HB2      PHE   3   2.666   3.239  -0.162
   27    HB3  PHE   3           HB1      PHE   3   2.151   2.406  -1.634
   28    HD1  PHE   3           HD1      PHE   3   1.155   5.226   0.592
   29    HD2  PHE   3           HD2      PHE   3   1.261   3.644  -3.357
   30    HE1  PHE   3           HE1      PHE   3   0.249   7.342  -0.276
   31    HE2  PHE   3           HE2      PHE   3   0.357   5.758  -4.232
   32    HZ   PHE   3           HZ       PHE   3  -0.151   7.611  -2.691
   33    H    LEU   4           HN       LEU   4  -1.189   0.655   0.221
   34    HA   LEU   4           HA       LEU   4  -0.102  -1.822  -0.389
   35    HB2  LEU   4           HB2      LEU   4  -2.919  -0.861  -0.880
   36    HB3  LEU   4           HB1      LEU   4  -2.412  -2.539  -0.853
   37    HG   LEU   4           HG       LEU   4  -1.545  -1.790   1.576
   38   HD11  LEU   4          HD11      LEU   4  -3.575   0.192   0.754
   39   HD12  LEU   4          HD12      LEU   4  -2.231   0.340   1.886
   40   HD13  LEU   4          HD13      LEU   4  -3.716  -0.473   2.382
   41   HD21  LEU   4          HD21      LEU   4  -2.976  -3.697   1.109
   42   HD22  LEU   4          HD22      LEU   4  -4.357  -2.625   0.874
   43   HD23  LEU   4          HD23      LEU   4  -3.613  -2.769   2.467
   44    H    ARG   5           HN       ARG   5  -1.229  -3.105  -2.375
   45    HA   ARG   5           HA       ARG   5  -0.600  -1.575  -4.813
   46    HB2  ARG   5           HB2      ARG   5   1.188  -3.212  -4.176
   47    HB3  ARG   5           HB1      ARG   5   0.000  -4.506  -4.370
   48    HG2  ARG   5           HG2      ARG   5  -0.250  -3.285  -6.752
   49    HG3  ARG   5           HG1      ARG   5   1.442  -2.928  -6.399
   50    HD2  ARG   5           HD2      ARG   5   1.766  -5.367  -5.934
   51    HD3  ARG   5           HD1      ARG   5   0.128  -5.637  -6.527
   52    HE   ARG   5           HE       ARG   5   1.390  -4.253  -8.526
   53   HH11  ARG   5          HH11      ARG   5   1.961  -7.252  -6.836
   54   HH12  ARG   5          HH12      ARG   5   2.736  -8.011  -8.187
   55   HH21  ARG   5          HH21      ARG   5   2.408  -5.249 -10.304
   56   HH22  ARG   5          HH22      ARG   5   2.990  -6.873 -10.155
   57    H    HIS   6           HN       HIS   6  -2.944  -1.206  -4.812
   58    HA   HIS   6           HA       HIS   6  -4.372  -3.498  -5.989
   59    HB2  HIS   6           HB2      HIS   6  -6.465  -2.561  -4.986
   60    HB3  HIS   6           HB1      HIS   6  -5.298  -3.149  -3.792
   61    HD1  HIS   6           HD1      HIS   6  -3.725  -1.121  -2.768
   62    HD2  HIS   6           HD2      HIS   6  -7.371  -0.069  -4.460
   63    HE1  HIS   6           HE1      HIS   6  -4.249   1.167  -1.866
   64    HE2  HIS   6           HE2      HIS   6  -6.417   1.819  -2.973
  Start of MODEL    3
    1    H1   HIS   1           HT1      HIS   1   2.926   4.335   6.379
    2    H2   HIS   1           HT2      HIS   1   1.773   5.511   5.896
    3    H3   HIS   1           HT3      HIS   1   3.359   5.992   6.342
    4    HA   HIS   1           HA       HIS   1   2.819   5.924   3.919
    5    HB2  HIS   1           HB2      HIS   1   5.147   4.546   5.247
    6    HB3  HIS   1           HB1      HIS   1   5.090   4.769   3.501
    7    HD1  HIS   1           HD1      HIS   1   7.248   6.280   3.844
    8    HD2  HIS   1           HD2      HIS   1   3.735   7.766   5.491
    9    HE1  HIS   1           HE1      HIS   1   7.700   8.709   4.312
   10    HE2  HIS   1           HE2      HIS   1   5.589   9.566   5.387
   11    H    ARG   2           HN       ARG   2   1.143   3.787   5.116
   12    HA   ARG   2           HA       ARG   2   1.794   1.300   3.924
   13    HB2  ARG   2           HB2      ARG   2   0.091   1.909   5.829
   14    HB3  ARG   2           HB1      ARG   2  -1.036   2.092   4.492
   15    HG2  ARG   2           HG2      ARG   2  -0.227  -0.265   3.797
   16    HG3  ARG   2           HG1      ARG   2   0.359  -0.366   5.467
   17    HD2  ARG   2           HD2      ARG   2  -1.734  -0.452   6.335
   18    HD3  ARG   2           HD1      ARG   2  -2.410   0.603   5.094
   19    HE   ARG   2           HE       ARG   2  -3.010  -1.256   3.920
   20   HH11  ARG   2          HH11      ARG   2  -0.511  -2.151   6.185
   21   HH12  ARG   2          HH12      ARG   2  -0.616  -3.842   5.824
   22   HH21  ARG   2          HH21      ARG   2  -3.149  -3.479   3.444
   23   HH22  ARG   2          HH22      ARG   2  -2.113  -4.596   4.267
   24    H    PHE   3           HN       PHE   3   2.369   1.937   1.769
   25    HA   PHE   3           HA       PHE   3   0.260   2.927   0.042
   26    HB2  PHE   3           HB2      PHE   3   3.120   2.898  -0.006
   27    HB3  PHE   3           HB1      PHE   3   2.501   2.183  -1.499
   28    HD1  PHE   3           HD1      PHE   3   1.989   5.144   0.710
   29    HD2  PHE   3           HD2      PHE   3   1.956   3.576  -3.246
   30    HE1  PHE   3           HE1      PHE   3   1.555   7.398  -0.176
   31    HE2  PHE   3           HE2      PHE   3   1.522   5.827  -4.139
   32    HZ   PHE   3           HZ       PHE   3   1.321   7.742  -2.603
   33    H    LEU   4           HN       LEU   4  -1.183   1.132   0.199
   34    HA   LEU   4           HA       LEU   4  -0.579  -1.522  -0.319
   35    HB2  LEU   4           HB2      LEU   4  -3.107  -0.027  -1.010
   36    HB3  LEU   4           HB1      LEU   4  -2.951  -1.773  -0.940
   37    HG   LEU   4           HG       LEU   4  -2.112  -1.165   1.539
   38   HD11  LEU   4          HD11      LEU   4  -2.379   1.064   1.790
   39   HD12  LEU   4          HD12      LEU   4  -4.026   0.573   2.186
   40   HD13  LEU   4          HD13      LEU   4  -3.646   1.166   0.569
   41   HD21  LEU   4          HD21      LEU   4  -4.735  -1.332   2.040
   42   HD22  LEU   4          HD22      LEU   4  -3.764  -2.716   1.536
   43   HD23  LEU   4          HD23      LEU   4  -4.734  -1.842   0.351
   44    H    ARG   5           HN       ARG   5  -1.763  -2.621  -2.358
   45    HA   ARG   5           HA       ARG   5  -1.205  -1.224  -4.834
   46    HB2  ARG   5           HB2      ARG   5   0.994  -2.146  -4.216
   47    HB3  ARG   5           HB1      ARG   5   0.282  -3.761  -4.116
   48    HG2  ARG   5           HG2      ARG   5  -0.436  -3.117  -6.614
   49    HG3  ARG   5           HG1      ARG   5   1.038  -2.155  -6.476
   50    HD2  ARG   5           HD2      ARG   5   2.374  -4.029  -6.126
   51    HD3  ARG   5           HD1      ARG   5   1.005  -5.035  -5.653
   52    HE   ARG   5           HE       ARG   5   0.583  -4.291  -8.289
   53   HH11  ARG   5          HH11      ARG   5   2.938  -6.120  -6.475
   54   HH12  ARG   5          HH12      ARG   5   3.335  -7.161  -7.800
   55   HH21  ARG   5          HH21      ARG   5   1.103  -5.660 -10.033
   56   HH22  ARG   5          HH22      ARG   5   2.294  -6.900  -9.821
   57    H    HIS   6           HN       HIS   6  -3.093  -1.547  -5.821
   58    HA   HIS   6           HA       HIS   6  -3.856  -4.134  -6.699
   59    HB2  HIS   6           HB2      HIS   6  -4.673  -4.303  -4.377
   60    HB3  HIS   6           HB1      HIS   6  -5.653  -2.851  -4.625
   61    HD1  HIS   6           HD1      HIS   6  -7.792  -4.254  -4.102
   62    HD2  HIS   6           HD2      HIS   6  -5.696  -5.484  -7.472
   63    HE1  HIS   6           HE1      HIS   6  -9.354  -5.785  -5.343
   64    HE2  HIS   6           HE2      HIS   6  -8.031  -6.587  -7.332
  Start of MODEL    4
    1    H1   HIS   1           HT1      HIS   1   2.213   5.463   5.748
    2    H2   HIS   1           HT2      HIS   1   3.867   5.916   5.820
    3    H3   HIS   1           HT3      HIS   1   3.417   4.269   5.994
    4    HA   HIS   1           HA       HIS   1   2.814   5.815   3.579
    5    HB2  HIS   1           HB2      HIS   1   4.887   4.759   2.644
    6    HB3  HIS   1           HB1      HIS   1   5.200   5.971   3.882
    7    HD1  HIS   1           HD1      HIS   1   5.508   2.327   3.175
    8    HD2  HIS   1           HD2      HIS   1   6.265   4.970   6.290
    9    HE1  HIS   1           HE1      HIS   1   6.922   1.047   4.814
   10    HE2  HIS   1           HE2      HIS   1   7.440   2.694   6.648
   11    H    ARG   2           HN       ARG   2   1.226   3.892   5.013
   12    HA   ARG   2           HA       ARG   2   1.555   1.292   3.920
   13    HB2  ARG   2           HB2      ARG   2  -0.773   2.680   5.242
   14    HB3  ARG   2           HB1      ARG   2  -0.867   1.019   4.673
   15    HG2  ARG   2           HG2      ARG   2   0.678   0.261   6.244
   16    HG3  ARG   2           HG1      ARG   2   1.290   1.894   6.562
   17    HD2  ARG   2           HD2      ARG   2  -0.159   0.958   8.370
   18    HD3  ARG   2           HD1      ARG   2  -0.714   2.496   7.710
   19    HE   ARG   2           HE       ARG   2  -2.071   0.658   6.254
   20   HH11  ARG   2          HH11      ARG   2  -1.677   1.188   9.681
   21   HH12  ARG   2          HH12      ARG   2  -3.233   0.547  10.086
   22   HH21  ARG   2          HH21      ARG   2  -4.120  -0.185   6.785
   23   HH22  ARG   2          HH22      ARG   2  -4.620  -0.233   8.442
   24    H    PHE   3           HN       PHE   3   1.928   2.140   1.676
   25    HA   PHE   3           HA       PHE   3  -0.559   2.724   0.248
   26    HB2  PHE   3           HB2      PHE   3   2.161   3.567  -0.046
   27    HB3  PHE   3           HB1      PHE   3   1.617   2.797  -1.542
   28    HD1  PHE   3           HD1      PHE   3   1.627   5.771   0.389
   29    HD2  PHE   3           HD2      PHE   3  -0.625   3.612  -2.506
   30    HE1  PHE   3           HE1      PHE   3   0.454   7.841  -0.237
   31    HE2  PHE   3           HE2      PHE   3  -1.801   5.678  -3.138
   32    HZ   PHE   3           HZ       PHE   3  -1.262   7.797  -2.004
   33    H    LEU   4           HN       LEU   4  -1.324   0.527   0.450
   34    HA   LEU   4           HA       LEU   4   0.003  -1.743  -0.436
   35    HB2  LEU   4           HB2      LEU   4  -2.950  -1.143  -0.583
   36    HB3  LEU   4           HB1      LEU   4  -2.232  -2.736  -0.724
   37    HG   LEU   4           HG       LEU   4  -1.218  -2.019   1.657
   38   HD11  LEU   4          HD11      LEU   4  -3.559  -0.282   1.177
   39   HD12  LEU   4          HD12      LEU   4  -2.133  -0.021   2.182
   40   HD13  LEU   4          HD13      LEU   4  -3.443  -1.052   2.760
   41   HD21  LEU   4          HD21      LEU   4  -3.787  -3.353   0.910
   42   HD22  LEU   4          HD22      LEU   4  -3.350  -3.150   2.606
   43   HD23  LEU   4          HD23      LEU   4  -2.295  -4.063   1.526
   44    H    ARG   5           HN       ARG   5  -0.826  -3.071  -2.394
   45    HA   ARG   5           HA       ARG   5  -0.776  -1.319  -4.763
   46    HB2  ARG   5           HB2      ARG   5   1.214  -2.936  -4.182
   47    HB3  ARG   5           HB1      ARG   5   0.146  -4.166  -4.866
   48    HG2  ARG   5           HG2      ARG   5  -0.021  -2.419  -6.837
   49    HG3  ARG   5           HG1      ARG   5   1.536  -1.899  -6.190
   50    HD2  ARG   5           HD2      ARG   5   2.148  -4.403  -6.261
   51    HD3  ARG   5           HD1      ARG   5   0.761  -4.557  -7.340
   52    HE   ARG   5           HE       ARG   5   3.312  -3.383  -7.949
   53   HH11  ARG   5          HH11      ARG   5  -0.075  -3.455  -8.788
   54   HH12  ARG   5          HH12      ARG   5   0.186  -2.902 -10.408
   55   HH21  ARG   5          HH21      ARG   5   3.657  -2.655 -10.079
   56   HH22  ARG   5          HH22      ARG   5   2.305  -2.448 -11.142
   57    H    HIS   6           HN       HIS   6  -2.905  -1.192  -5.281
   58    HA   HIS   6           HA       HIS   6  -4.252  -3.733  -5.911
   59    HB2  HIS   6           HB2      HIS   6  -6.395  -2.712  -5.239
   60    HB3  HIS   6           HB1      HIS   6  -5.254  -2.796  -3.889
   61    HD1  HIS   6           HD1      HIS   6  -3.965  -0.449  -3.392
   62    HD2  HIS   6           HD2      HIS   6  -7.435  -0.242  -5.668
   63    HE1  HIS   6           HE1      HIS   6  -4.686   1.958  -3.300
   64    HE2  HIS   6           HE2      HIS   6  -6.739   2.076  -4.757
  Start of MODEL    5
    1    H1   HIS   1           HT1      HIS   1   2.280   5.642   5.541
    2    H2   HIS   1           HT2      HIS   1   3.781   5.426   6.343
    3    H3   HIS   1           HT3      HIS   1   2.582   4.201   6.418
    4    HA   HIS   1           HA       HIS   1   3.740   5.103   3.882
    5    HB2  HIS   1           HB2      HIS   1   5.230   3.068   4.143
    6    HB3  HIS   1           HB1      HIS   1   5.631   4.438   5.173
    7    HD1  HIS   1           HD1      HIS   1   4.867   4.213   7.729
    8    HD2  HIS   1           HD2      HIS   1   4.717   0.729   5.469
    9    HE1  HIS   1           HE1      HIS   1   4.721   2.336   9.396
   10    HE2  HIS   1           HE2      HIS   1   4.541   0.244   8.003
   11    H    ARG   2           HN       ARG   2   1.035   4.292   4.763
   12    HA   ARG   2           HA       ARG   2   0.582   1.588   4.024
   13    HB2  ARG   2           HB2      ARG   2  -0.932   3.112   5.412
   14    HB3  ARG   2           HB1      ARG   2  -1.463   3.798   3.883
   15    HG2  ARG   2           HG2      ARG   2  -2.368   1.717   3.168
   16    HG3  ARG   2           HG1      ARG   2  -1.629   0.864   4.534
   17    HD2  ARG   2           HD2      ARG   2  -3.829   2.926   4.650
   18    HD3  ARG   2           HD1      ARG   2  -3.978   1.199   4.972
   19    HE   ARG   2           HE       ARG   2  -3.020   3.217   6.768
   20   HH11  ARG   2          HH11      ARG   2  -2.863  -0.175   5.961
   21   HH12  ARG   2          HH12      ARG   2  -2.414  -0.663   7.561
   22   HH21  ARG   2          HH21      ARG   2  -2.429   2.577   8.873
   23   HH22  ARG   2          HH22      ARG   2  -2.168   0.899   9.214
   24    H    PHE   3           HN       PHE   3   1.958   1.708   2.048
   25    HA   PHE   3           HA       PHE   3   0.680   2.965  -0.249
   26    HB2  PHE   3           HB2      PHE   3   3.364   2.271   0.464
   27    HB3  PHE   3           HB1      PHE   3   2.950   1.518  -1.081
   28    HD1  PHE   3           HD1      PHE   3   4.013   4.487   0.545
   29    HD2  PHE   3           HD2      PHE   3   1.917   3.049  -2.868
   30    HE1  PHE   3           HE1      PHE   3   4.402   6.634  -0.593
   31    HE2  PHE   3           HE2      PHE   3   2.302   5.193  -4.013
   32    HZ   PHE   3           HZ       PHE   3   3.546   6.989  -2.875
   33    H    LEU   4           HN       LEU   4  -1.149   1.655  -0.500
   34    HA   LEU   4           HA       LEU   4  -1.235  -1.115  -0.527
   35    HB2  LEU   4           HB2      LEU   4  -2.874   0.807  -2.177
   36    HB3  LEU   4           HB1      LEU   4  -3.272  -0.877  -1.892
   37    HG   LEU   4           HG       LEU   4  -3.077  -0.046   0.654
   38   HD11  LEU   4          HD11      LEU   4  -4.485   2.207   0.444
   39   HD12  LEU   4          HD12      LEU   4  -3.479   2.372  -0.996
   40   HD13  LEU   4          HD13      LEU   4  -2.727   2.185   0.588
   41   HD21  LEU   4          HD21      LEU   4  -5.352  -0.307   0.748
   42   HD22  LEU   4          HD22      LEU   4  -5.008  -1.077  -0.801
   43   HD23  LEU   4          HD23      LEU   4  -5.626   0.574  -0.755
   44    H    ARG   5           HN       ARG   5  -2.015  -2.250  -2.730
   45    HA   ARG   5           HA       ARG   5  -0.444  -1.515  -5.029
   46    HB2  ARG   5           HB2      ARG   5   0.962  -2.914  -3.223
   47    HB3  ARG   5           HB1      ARG   5   0.185  -4.257  -4.071
   48    HG2  ARG   5           HG2      ARG   5   1.321  -3.868  -6.013
   49    HG3  ARG   5           HG1      ARG   5   1.515  -2.145  -5.687
   50    HD2  ARG   5           HD2      ARG   5   3.036  -2.929  -3.746
   51    HD3  ARG   5           HD1      ARG   5   3.085  -4.461  -4.618
   52    HE   ARG   5           HE       ARG   5   3.724  -2.653  -6.522
   53   HH11  ARG   5          HH11      ARG   5   4.959  -3.269  -3.316
   54   HH12  ARG   5          HH12      ARG   5   6.561  -2.732  -3.694
   55   HH21  ARG   5          HH21      ARG   5   5.831  -1.947  -7.021
   56   HH22  ARG   5          HH22      ARG   5   7.057  -1.981  -5.797
   57    H    HIS   6           HN       HIS   6  -3.198  -1.825  -4.620
   58    HA   HIS   6           HA       HIS   6  -3.760  -3.858  -6.616
   59    HB2  HIS   6           HB2      HIS   6  -3.994  -4.890  -4.278
   60    HB3  HIS   6           HB1      HIS   6  -5.403  -3.837  -4.087
   61    HD1  HIS   6           HD1      HIS   6  -7.489  -5.052  -4.560
   62    HD2  HIS   6           HD2      HIS   6  -4.360  -6.414  -6.931
   63    HE1  HIS   6           HE1      HIS   6  -8.472  -6.874  -5.988
   64    HE2  HIS   6           HE2      HIS   6  -6.539  -7.743  -7.351
  Start of MODEL    6
    1    H1   HIS   1           HT1      HIS   1   3.887   5.302   6.194
    2    H2   HIS   1           HT2      HIS   1   2.572   4.205   6.308
    3    H3   HIS   1           HT3      HIS   1   2.425   5.629   5.362
    4    HA   HIS   1           HA       HIS   1   3.836   4.869   3.749
    5    HB2  HIS   1           HB2      HIS   1   4.602   2.744   5.764
    6    HB3  HIS   1           HB1      HIS   1   5.157   2.766   4.094
    7    HD1  HIS   1           HD1      HIS   1   5.888   4.120   7.417
    8    HD2  HIS   1           HD2      HIS   1   6.871   5.023   3.482
    9    HE1  HIS   1           HE1      HIS   1   7.866   5.667   7.556
   10    HE2  HIS   1           HE2      HIS   1   8.415   6.237   5.164
   11    H    ARG   2           HN       ARG   2   1.057   4.372   4.635
   12    HA   ARG   2           HA       ARG   2   0.365   1.688   3.971
   13    HB2  ARG   2           HB2      ARG   2  -0.942   3.609   5.280
   14    HB3  ARG   2           HB1      ARG   2  -1.629   3.882   3.685
   15    HG2  ARG   2           HG2      ARG   2  -2.176   1.400   3.661
   16    HG3  ARG   2           HG1      ARG   2  -1.796   1.419   5.392
   17    HD2  ARG   2           HD2      ARG   2  -3.477   3.224   5.680
   18    HD3  ARG   2           HD1      ARG   2  -3.904   3.053   3.979
   19    HE   ARG   2           HE       ARG   2  -4.078   0.580   5.399
   20   HH11  ARG   2          HH11      ARG   2  -5.761   3.563   4.725
   21   HH12  ARG   2          HH12      ARG   2  -7.330   2.886   5.001
   22   HH21  ARG   2          HH21      ARG   2  -6.143  -0.312   5.762
   23   HH22  ARG   2          HH22      ARG   2  -7.548   0.687   5.591
   24    H    PHE   3           HN       PHE   3   1.821   1.874   1.966
   25    HA   PHE   3           HA       PHE   3   0.366   2.993  -0.315
   26    HB2  PHE   3           HB2      PHE   3   3.135   2.766   0.358
   27    HB3  PHE   3           HB1      PHE   3   2.836   1.923  -1.167
   28    HD1  PHE   3           HD1      PHE   3   3.423   5.056   0.378
   29    HD2  PHE   3           HD2      PHE   3   1.518   3.225  -2.958
   30    HE1  PHE   3           HE1      PHE   3   3.429   7.214  -0.805
   31    HE2  PHE   3           HE2      PHE   3   1.522   5.379  -4.148
   32    HZ   PHE   3           HZ       PHE   3   2.479   7.377  -3.071
   33    H    LEU   4           HN       LEU   4  -1.234   1.289  -0.244
   34    HA   LEU   4           HA       LEU   4  -0.715  -1.431  -0.435
   35    HB2  LEU   4           HB2      LEU   4  -2.991   0.120  -1.667
   36    HB3  LEU   4           HB1      LEU   4  -2.959  -1.618  -1.435
   37    HG   LEU   4           HG       LEU   4  -2.515  -0.837   1.097
   38   HD11  LEU   4          HD11      LEU   4  -3.715   1.472  -0.303
   39   HD12  LEU   4          HD12      LEU   4  -2.675   1.417   1.120
   40   HD13  LEU   4          HD13      LEU   4  -4.392   1.044   1.269
   41   HD21  LEU   4          HD21      LEU   4  -4.828  -1.309   1.526
   42   HD22  LEU   4          HD22      LEU   4  -4.276  -2.361   0.223
   43   HD23  LEU   4          HD23      LEU   4  -5.260  -0.944  -0.144
   44    H    ARG   5           HN       ARG   5  -1.650  -2.607  -2.585
   45    HA   ARG   5           HA       ARG   5  -0.415  -1.460  -4.966
   46    HB2  ARG   5           HB2      ARG   5   1.090  -3.140  -3.476
   47    HB3  ARG   5           HB1      ARG   5   0.248  -4.310  -4.500
   48    HG2  ARG   5           HG2      ARG   5   1.326  -3.646  -6.377
   49    HG3  ARG   5           HG1      ARG   5   1.449  -1.966  -5.851
   50    HD2  ARG   5           HD2      ARG   5   3.087  -2.961  -4.069
   51    HD3  ARG   5           HD1      ARG   5   3.211  -4.292  -5.219
   52    HE   ARG   5           HE       ARG   5   4.495  -2.955  -6.545
   53   HH11  ARG   5          HH11      ARG   5   2.691  -0.922  -4.356
   54   HH12  ARG   5          HH12      ARG   5   3.484   0.534  -4.856
   55   HH21  ARG   5          HH21      ARG   5   5.539  -1.041  -7.204
   56   HH22  ARG   5          HH22      ARG   5   5.100   0.467  -6.473
   57    H    HIS   6           HN       HIS   6  -3.126  -1.805  -4.354
   58    HA   HIS   6           HA       HIS   6  -3.868  -3.790  -6.389
   59    HB2  HIS   6           HB2      HIS   6  -4.307  -4.480  -3.916
   60    HB3  HIS   6           HB1      HIS   6  -5.636  -3.315  -4.006
   61    HD1  HIS   6           HD1      HIS   6  -7.568  -4.927  -3.980
   62    HD2  HIS   6           HD2      HIS   6  -4.760  -5.836  -6.905
   63    HE1  HIS   6           HE1      HIS   6  -8.618  -6.731  -5.383
   64    HE2  HIS   6           HE2      HIS   6  -6.933  -7.208  -7.194
  Start of MODEL    7
    1    H1   HIS   1           HT1      HIS   1   1.795   5.676   5.384
    2    H2   HIS   1           HT2      HIS   1   3.449   6.057   5.638
    3    H3   HIS   1           HT3      HIS   1   2.892   4.450   5.864
    4    HA   HIS   1           HA       HIS   1   2.670   5.833   3.291
    5    HB2  HIS   1           HB2      HIS   1   5.019   4.509   4.593
    6    HB3  HIS   1           HB1      HIS   1   4.797   4.330   2.856
    7    HD1  HIS   1           HD1      HIS   1   7.123   5.952   4.343
    8    HD2  HIS   1           HD2      HIS   1   3.767   7.552   2.487
    9    HE1  HIS   1           HE1      HIS   1   7.744   8.316   3.753
   10    HE2  HIS   1           HE2      HIS   1   5.670   9.291   2.708
   11    H    ARG   2           HN       ARG   2   0.934   3.982   4.789
   12    HA   ARG   2           HA       ARG   2   1.265   1.339   3.840
   13    HB2  ARG   2           HB2      ARG   2  -1.051   2.876   4.976
   14    HB3  ARG   2           HB1      ARG   2  -1.282   1.251   4.346
   15    HG2  ARG   2           HG2      ARG   2  -0.262   0.281   6.096
   16    HG3  ARG   2           HG1      ARG   2   0.963   1.557   6.220
   17    HD2  ARG   2           HD2      ARG   2  -0.455   2.944   7.469
   18    HD3  ARG   2           HD1      ARG   2  -1.894   2.033   7.015
   19    HE   ARG   2           HE       ARG   2  -0.073   1.448   9.162
   20   HH11  ARG   2          HH11      ARG   2  -2.445   0.114   6.977
   21   HH12  ARG   2          HH12      ARG   2  -2.829  -1.221   8.011
   22   HH21  ARG   2          HH21      ARG   2  -0.577  -0.307  10.523
   23   HH22  ARG   2          HH22      ARG   2  -1.770  -1.460  10.024
   24    H    PHE   3           HN       PHE   3   1.807   1.815   1.595
   25    HA   PHE   3           HA       PHE   3  -0.535   2.429  -0.068
   26    HB2  PHE   3           HB2      PHE   3   2.204   3.250  -0.186
   27    HB3  PHE   3           HB1      PHE   3   1.783   2.388  -1.671
   28    HD1  PHE   3           HD1      PHE   3   1.650   5.479   0.062
   29    HD2  PHE   3           HD2      PHE   3  -0.368   3.142  -2.867
   30    HE1  PHE   3           HE1      PHE   3   0.546   7.506  -0.789
   31    HE2  PHE   3           HE2      PHE   3  -1.476   5.166  -3.724
   32    HZ   PHE   3           HZ       PHE   3  -1.019   7.351  -2.685
   33    H    LEU   4           HN       LEU   4  -1.382   0.293   0.091
   34    HA   LEU   4           HA       LEU   4  -0.029  -2.064  -0.457
   35    HB2  LEU   4           HB2      LEU   4  -2.901  -1.386  -1.085
   36    HB3  LEU   4           HB1      LEU   4  -2.232  -3.007  -1.025
   37    HG   LEU   4           HG       LEU   4  -1.559  -2.175   1.438
   38   HD11  LEU   4          HD11      LEU   4  -3.728  -0.398   0.511
   39   HD12  LEU   4          HD12      LEU   4  -2.464  -0.124   1.709
   40   HD13  LEU   4          HD13      LEU   4  -3.887  -1.076   2.131
   41   HD21  LEU   4          HD21      LEU   4  -4.266  -3.252   0.655
   42   HD22  LEU   4          HD22      LEU   4  -3.512  -3.383   2.244
   43   HD23  LEU   4          HD23      LEU   4  -2.798  -4.209   0.859
   44    H    ARG   5           HN       ARG   5  -0.949  -3.448  -2.491
   45    HA   ARG   5           HA       ARG   5   0.058  -1.997  -4.832
   46    HB2  ARG   5           HB2      ARG   5   1.179  -4.120  -4.156
   47    HB3  ARG   5           HB1      ARG   5  -0.336  -4.976  -4.472
   48    HG2  ARG   5           HG2      ARG   5   0.095  -3.596  -6.810
   49    HG3  ARG   5           HG1      ARG   5   1.723  -4.062  -6.316
   50    HD2  ARG   5           HD2      ARG   5   0.970  -5.852  -7.624
   51    HD3  ARG   5           HD1      ARG   5   0.760  -6.398  -5.960
   52    HE   ARG   5           HE       ARG   5  -1.583  -5.159  -7.073
   53   HH11  ARG   5          HH11      ARG   5   0.194  -8.146  -6.753
   54   HH12  ARG   5          HH12      ARG   5  -1.196  -9.146  -7.009
   55   HH21  ARG   5          HH21      ARG   5  -3.412  -6.473  -7.409
   56   HH22  ARG   5          HH22      ARG   5  -3.244  -8.196  -7.382
   57    H    HIS   6           HN       HIS   6  -2.562  -1.430  -4.020
   58    HA   HIS   6           HA       HIS   6  -4.014  -2.322  -6.389
   59    HB2  HIS   6           HB2      HIS   6  -4.644  -3.845  -4.503
   60    HB3  HIS   6           HB1      HIS   6  -5.256  -2.432  -3.631
   61    HD1  HIS   6           HD1      HIS   6  -7.661  -1.974  -3.963
   62    HD2  HIS   6           HD2      HIS   6  -6.062  -4.165  -7.110
   63    HE1  HIS   6           HE1      HIS   6  -9.604  -2.504  -5.468
   64    HE2  HIS   6           HE2      HIS   6  -8.626  -3.900  -7.324
  Start of MODEL    8
    1    H1   HIS   1           HT1      HIS   1   2.362   5.364   5.831
    2    H2   HIS   1           HT2      HIS   1   4.020   5.413   6.269
    3    H3   HIS   1           HT3      HIS   1   3.158   3.930   6.331
    4    HA   HIS   1           HA       HIS   1   3.471   5.454   3.849
    5    HB2  HIS   1           HB2      HIS   1   5.528   4.236   5.397
    6    HB3  HIS   1           HB1      HIS   1   5.251   3.217   3.989
    7    HD1  HIS   1           HD1      HIS   1   4.822   6.925   3.744
    8    HD2  HIS   1           HD2      HIS   1   7.640   4.027   2.782
    9    HE1  HIS   1           HE1      HIS   1   6.497   8.080   2.266
   10    HE2  HIS   1           HE2      HIS   1   8.238   6.330   1.767
   11    H    ARG   2           HN       ARG   2   1.283   3.875   5.059
   12    HA   ARG   2           HA       ARG   2   1.231   1.275   3.950
   13    HB2  ARG   2           HB2      ARG   2  -0.242   2.004   5.794
   14    HB3  ARG   2           HB1      ARG   2  -1.090   3.071   4.682
   15    HG2  ARG   2           HG2      ARG   2  -1.707   1.062   3.337
   16    HG3  ARG   2           HG1      ARG   2  -1.008   0.062   4.623
   17    HD2  ARG   2           HD2      ARG   2  -2.654   1.739   6.022
   18    HD3  ARG   2           HD1      ARG   2  -3.555   1.508   4.524
   19    HE   ARG   2           HE       ARG   2  -3.080  -0.440   6.581
   20   HH11  ARG   2          HH11      ARG   2  -3.801   0.024   3.198
   21   HH12  ARG   2          HH12      ARG   2  -4.536  -1.533   3.013
   22   HH21  ARG   2          HH21      ARG   2  -4.046  -2.488   6.339
   23   HH22  ARG   2          HH22      ARG   2  -4.675  -2.959   4.796
   24    H    PHE   3           HN       PHE   3   2.059   1.746   1.801
   25    HA   PHE   3           HA       PHE   3   0.239   3.109  -0.016
   26    HB2  PHE   3           HB2      PHE   3   3.053   2.620   0.064
   27    HB3  PHE   3           HB1      PHE   3   2.397   1.977  -1.446
   28    HD1  PHE   3           HD1      PHE   3   2.281   5.032   0.687
   29    HD2  PHE   3           HD2      PHE   3   2.142   3.397  -3.239
   30    HE1  PHE   3           HE1      PHE   3   2.250   7.305  -0.255
   31    HE2  PHE   3           HE2      PHE   3   2.111   5.667  -4.188
   32    HZ   PHE   3           HZ       PHE   3   2.166   7.625  -2.695
   33    H    LEU   4           HN       LEU   4  -1.506   1.675  -0.092
   34    HA   LEU   4           HA       LEU   4  -1.407  -1.069  -0.455
   35    HB2  LEU   4           HB2      LEU   4  -3.464   0.868  -1.515
   36    HB3  LEU   4           HB1      LEU   4  -3.684  -0.867  -1.377
   37    HG   LEU   4           HG       LEU   4  -3.052  -0.311   1.173
   38   HD11  LEU   4          HD11      LEU   4  -3.929   2.229  -0.053
   39   HD12  LEU   4          HD12      LEU   4  -2.875   1.935   1.330
   40   HD13  LEU   4          HD13      LEU   4  -4.625   1.814   1.514
   41   HD21  LEU   4          HD21      LEU   4  -5.517  -0.223   1.589
   42   HD22  LEU   4          HD22      LEU   4  -4.996  -1.552   0.554
   43   HD23  LEU   4          HD23      LEU   4  -5.749  -0.124  -0.156
   44    H    ARG   5           HN       ARG   5  -1.409  -2.429  -2.228
   45    HA   ARG   5           HA       ARG   5  -0.906  -1.200  -4.850
   46    HB2  ARG   5           HB2      ARG   5   1.185  -2.066  -3.563
   47    HB3  ARG   5           HB1      ARG   5   0.578  -3.669  -3.997
   48    HG2  ARG   5           HG2      ARG   5   0.819  -3.241  -6.303
   49    HG3  ARG   5           HG1      ARG   5   1.054  -1.512  -6.036
   50    HD2  ARG   5           HD2      ARG   5   2.938  -3.580  -4.938
   51    HD3  ARG   5           HD1      ARG   5   3.126  -2.901  -6.554
   52    HE   ARG   5           HE       ARG   5   2.888  -0.865  -4.579
   53   HH11  ARG   5          HH11      ARG   5   5.130  -3.152  -5.963
   54   HH12  ARG   5          HH12      ARG   5   6.529  -2.213  -5.563
   55   HH21  ARG   5          HH21      ARG   5   4.726   0.372  -4.052
   56   HH22  ARG   5          HH22      ARG   5   6.300  -0.212  -4.478
   57    H    HIS   6           HN       HIS   6  -2.981  -1.703  -5.547
   58    HA   HIS   6           HA       HIS   6  -3.337  -4.262  -6.678
   59    HB2  HIS   6           HB2      HIS   6  -3.878  -4.549  -4.130
   60    HB3  HIS   6           HB1      HIS   6  -5.399  -3.754  -4.560
   61    HD1  HIS   6           HD1      HIS   6  -6.052  -6.351  -3.635
   62    HD2  HIS   6           HD2      HIS   6  -4.585  -5.888  -7.495
   63    HE1  HIS   6           HE1      HIS   6  -6.761  -8.420  -4.876
   64    HE2  HIS   6           HE2      HIS   6  -5.788  -8.156  -7.185
  Start of MODEL    9
    1    H1   HIS   1           HT1      HIS   1   1.997   5.238   6.145
    2    H2   HIS   1           HT2      HIS   1   3.515   6.036   6.202
    3    H3   HIS   1           HT3      HIS   1   3.445   4.322   6.163
    4    HA   HIS   1           HA       HIS   1   2.352   6.001   4.022
    5    HB2  HIS   1           HB2      HIS   1   4.535   5.463   2.857
    6    HB3  HIS   1           HB1      HIS   1   4.651   6.629   4.172
    7    HD1  HIS   1           HD1      HIS   1   5.964   3.411   3.016
    8    HD2  HIS   1           HD2      HIS   1   5.798   5.520   6.592
    9    HE1  HIS   1           HE1      HIS   1   7.658   2.319   4.520
   10    HE2  HIS   1           HE2      HIS   1   7.603   3.669   6.646
   11    H    ARG   2           HN       ARG   2   1.201   3.683   5.168
   12    HA   ARG   2           HA       ARG   2   1.967   1.305   3.852
   13    HB2  ARG   2           HB2      ARG   2   0.400   1.676   5.903
   14    HB3  ARG   2           HB1      ARG   2  -0.862   1.849   4.691
   15    HG2  ARG   2           HG2      ARG   2  -0.864  -0.347   4.175
   16    HG3  ARG   2           HG1      ARG   2   0.882  -0.518   4.427
   17    HD2  ARG   2           HD2      ARG   2   0.196  -1.663   6.255
   18    HD3  ARG   2           HD1      ARG   2   0.118  -0.045   6.949
   19    HE   ARG   2           HE       ARG   2  -2.349  -0.379   5.899
   20   HH11  ARG   2          HH11      ARG   2  -0.397  -2.311   8.053
   21   HH12  ARG   2          HH12      ARG   2  -1.759  -2.988   8.881
   22   HH21  ARG   2          HH21      ARG   2  -4.141  -1.268   6.988
   23   HH22  ARG   2          HH22      ARG   2  -3.884  -2.397   8.276
   24    H    PHE   3           HN       PHE   3   2.308   2.106   1.679
   25    HA   PHE   3           HA       PHE   3  -0.042   2.851   0.151
   26    HB2  PHE   3           HB2      PHE   3   2.793   3.191  -0.113
   27    HB3  PHE   3           HB1      PHE   3   2.136   2.477  -1.590
   28    HD1  PHE   3           HD1      PHE   3   1.452   5.235   0.827
   29    HD2  PHE   3           HD2      PHE   3   1.293   3.880  -3.204
   30    HE1  PHE   3           HE1      PHE   3   0.673   7.458   0.114
   31    HE2  PHE   3           HE2      PHE   3   0.515   6.100  -3.925
   32    HZ   PHE   3           HZ       PHE   3   0.204   7.893  -2.265
   33    H    LEU   4           HN       LEU   4  -1.224   0.885   0.319
   34    HA   LEU   4           HA       LEU   4  -0.316  -1.652  -0.329
   35    HB2  LEU   4           HB2      LEU   4  -3.059  -0.489  -0.804
   36    HB3  LEU   4           HB1      LEU   4  -2.671  -2.199  -0.802
   37    HG   LEU   4           HG       LEU   4  -1.752  -1.548   1.636
   38   HD11  LEU   4          HD11      LEU   4  -3.826  -0.091   2.462
   39   HD12  LEU   4          HD12      LEU   4  -3.635   0.586   0.845
   40   HD13  LEU   4          HD13      LEU   4  -2.286   0.620   1.980
   41   HD21  LEU   4          HD21      LEU   4  -4.291  -2.069   2.300
   42   HD22  LEU   4          HD22      LEU   4  -3.187  -3.301   1.689
   43   HD23  LEU   4          HD23      LEU   4  -4.341  -2.532   0.599
   44    H    ARG   5           HN       ARG   5  -1.549  -2.817  -2.336
   45    HA   ARG   5           HA       ARG   5  -1.108  -1.266  -4.773
   46    HB2  ARG   5           HB2      ARG   5   1.009  -2.519  -4.124
   47    HB3  ARG   5           HB1      ARG   5   0.110  -4.007  -4.440
   48    HG2  ARG   5           HG2      ARG   5  -0.358  -2.935  -6.752
   49    HG3  ARG   5           HG1      ARG   5   1.014  -1.898  -6.355
   50    HD2  ARG   5           HD2      ARG   5   1.259  -4.859  -6.051
   51    HD3  ARG   5           HD1      ARG   5   1.383  -4.135  -7.654
   52    HE   ARG   5           HE       ARG   5   3.369  -4.123  -5.640
   53   HH11  ARG   5          HH11      ARG   5   1.993  -2.111  -8.137
   54   HH12  ARG   5          HH12      ARG   5   3.445  -1.199  -8.377
   55   HH21  ARG   5          HH21      ARG   5   5.280  -2.925  -5.954
   56   HH22  ARG   5          HH22      ARG   5   5.312  -1.661  -7.138
   57    H    HIS   6           HN       HIS   6  -3.096  -1.370  -5.621
   58    HA   HIS   6           HA       HIS   6  -4.191  -4.023  -6.197
   59    HB2  HIS   6           HB2      HIS   6  -6.449  -3.324  -5.545
   60    HB3  HIS   6           HB1      HIS   6  -5.340  -3.244  -4.168
   61    HD1  HIS   6           HD1      HIS   6  -4.202  -0.606  -4.082
   62    HD2  HIS   6           HD2      HIS   6  -8.046  -1.161  -5.560
   63    HE1  HIS   6           HE1      HIS   6  -5.323   1.637  -3.898
   64    HE2  HIS   6           HE2      HIS   6  -7.675   1.256  -4.717
  Start of MODEL   10
    1    H1   HIS   1           HT1      HIS   1   3.569   3.709   6.262
    2    H2   HIS   1           HT2      HIS   1   2.741   5.172   5.917
    3    H3   HIS   1           HT3      HIS   1   4.435   5.186   6.189
    4    HA   HIS   1           HA       HIS   1   3.645   5.356   3.840
    5    HB2  HIS   1           HB2      HIS   1   5.838   4.060   5.108
    6    HB3  HIS   1           HB1      HIS   1   5.409   3.104   3.694
    7    HD1  HIS   1           HD1      HIS   1   7.322   5.996   4.683
    8    HD2  HIS   1           HD2      HIS   1   5.324   4.784   1.247
    9    HE1  HIS   1           HE1      HIS   1   8.252   7.417   2.829
   10    HE2  HIS   1           HE2      HIS   1   7.089   6.607   0.745
   11    H    ARG   2           HN       ARG   2   1.557   3.762   5.156
   12    HA   ARG   2           HA       ARG   2   1.371   1.210   3.939
   13    HB2  ARG   2           HB2      ARG   2  -0.502   3.018   5.395
   14    HB3  ARG   2           HB1      ARG   2  -1.186   1.695   4.461
   15    HG2  ARG   2           HG2      ARG   2  -0.518   0.142   5.930
   16    HG3  ARG   2           HG1      ARG   2   1.049   0.926   6.197
   17    HD2  ARG   2           HD2      ARG   2  -0.513   0.843   8.185
   18    HD3  ARG   2           HD1      ARG   2   0.133   2.430   7.770
   19    HE   ARG   2           HE       ARG   2  -1.995   3.134   7.334
   20   HH11  ARG   2          HH11      ARG   2  -1.961  -0.356   7.342
   21   HH12  ARG   2          HH12      ARG   2  -3.681  -0.497   7.207
   22   HH21  ARG   2          HH21      ARG   2  -4.257   2.950   7.156
   23   HH22  ARG   2          HH22      ARG   2  -4.985   1.379   7.100
   24    H    PHE   3           HN       PHE   3   2.025   1.904   1.751
   25    HA   PHE   3           HA       PHE   3  -0.028   3.280   0.212
   26    HB2  PHE   3           HB2      PHE   3   2.804   2.971   0.006
   27    HB3  PHE   3           HB1      PHE   3   2.049   2.399  -1.486
   28    HD1  PHE   3           HD1      PHE   3   1.960   5.275   0.884
   29    HD2  PHE   3           HD2      PHE   3   1.540   3.927  -3.131
   30    HE1  PHE   3           HE1      PHE   3   1.710   7.605   0.133
   31    HE2  PHE   3           HE2      PHE   3   1.290   6.254  -3.890
   32    HZ   PHE   3           HZ       PHE   3   1.375   8.097  -2.257
   33    H    LEU   4           HN       LEU   4  -1.668   1.691   0.263
   34    HA   LEU   4           HA       LEU   4  -1.404  -0.990  -0.389
   35    HB2  LEU   4           HB2      LEU   4  -3.737   0.835  -0.959
   36    HB3  LEU   4           HB1      LEU   4  -3.796  -0.918  -0.970
   37    HG   LEU   4           HG       LEU   4  -2.855  -0.536   1.516
   38   HD11  LEU   4          HD11      LEU   4  -2.837   1.695   1.872
   39   HD12  LEU   4          HD12      LEU   4  -4.526   1.393   2.280
   40   HD13  LEU   4          HD13      LEU   4  -4.101   2.010   0.683
   41   HD21  LEU   4          HD21      LEU   4  -5.055  -1.602   0.473
   42   HD22  LEU   4          HD22      LEU   4  -5.782  -0.176   1.213
   43   HD23  LEU   4          HD23      LEU   4  -4.876  -1.319   2.205
   44    H    ARG   5           HN       ARG   5  -1.548  -2.174  -2.279
   45    HA   ARG   5           HA       ARG   5  -1.786  -0.782  -4.821
   46    HB2  ARG   5           HB2      ARG   5   0.665  -0.784  -4.081
   47    HB3  ARG   5           HB1      ARG   5   0.621  -2.533  -4.336
   48    HG2  ARG   5           HG2      ARG   5  -0.255  -1.914  -6.693
   49    HG3  ARG   5           HG1      ARG   5   0.414  -0.321  -6.336
   50    HD2  ARG   5           HD2      ARG   5   2.588  -1.416  -5.829
   51    HD3  ARG   5           HD1      ARG   5   1.893  -2.948  -6.355
   52    HE   ARG   5           HE       ARG   5   2.128  -2.273  -8.532
   53   HH11  ARG   5          HH11      ARG   5   2.527   0.489  -6.436
   54   HH12  ARG   5          HH12      ARG   5   3.059   1.535  -7.709
   55   HH21  ARG   5          HH21      ARG   5   2.828  -0.898 -10.207
   56   HH22  ARG   5          HH22      ARG   5   3.230   0.749  -9.850
   57    H    HIS   6           HN       HIS   6  -3.232  -1.925  -5.910
   58    HA   HIS   6           HA       HIS   6  -2.912  -4.807  -6.144
   59    HB2  HIS   6           HB2      HIS   6  -5.256  -5.274  -5.591
   60    HB3  HIS   6           HB1      HIS   6  -4.412  -4.551  -4.215
   61    HD1  HIS   6           HD1      HIS   6  -4.732  -1.703  -4.349
   62    HD2  HIS   6           HD2      HIS   6  -7.703  -4.191  -5.848
   63    HE1  HIS   6           HE1      HIS   6  -6.820  -0.303  -4.397
   64    HE2  HIS   6           HE2      HIS   6  -8.585  -1.803  -5.388
  Start of MODEL   11
    1    H1   HIS   1           HT1      HIS   1   3.338   3.929   6.358
    2    H2   HIS   1           HT2      HIS   1   2.673   5.416   5.818
    3    H3   HIS   1           HT3      HIS   1   4.337   5.315   6.225
    4    HA   HIS   1           HA       HIS   1   3.747   5.326   3.815
    5    HB2  HIS   1           HB2      HIS   1   5.801   4.259   5.263
    6    HB3  HIS   1           HB1      HIS   1   5.276   2.857   4.337
    7    HD1  HIS   1           HD1      HIS   1   7.900   4.898   4.074
    8    HD2  HIS   1           HD2      HIS   1   4.716   4.322   1.467
    9    HE1  HIS   1           HE1      HIS   1   8.735   5.636   1.819
   10    HE2  HIS   1           HE2      HIS   1   6.820   5.197   0.243
   11    H    ARG   2           HN       ARG   2   1.450   3.988   5.158
   12    HA   ARG   2           HA       ARG   2   1.122   1.388   4.085
   13    HB2  ARG   2           HB2      ARG   2  -1.025   3.361   4.882
   14    HB3  ARG   2           HB1      ARG   2  -1.219   1.623   4.705
   15    HG2  ARG   2           HG2      ARG   2  -0.215   1.162   6.689
   16    HG3  ARG   2           HG1      ARG   2   0.846   2.580   6.604
   17    HD2  ARG   2           HD2      ARG   2  -0.623   3.131   8.314
   18    HD3  ARG   2           HD1      ARG   2  -1.331   3.935   6.914
   19    HE   ARG   2           HE       ARG   2  -3.146   2.549   7.075
   20   HH11  ARG   2          HH11      ARG   2  -0.555   1.250   9.018
   21   HH12  ARG   2          HH12      ARG   2  -1.544   0.029   9.745
   22   HH21  ARG   2          HH21      ARG   2  -4.449   0.944   8.031
   23   HH22  ARG   2          HH22      ARG   2  -3.755  -0.145   9.185
   24    H    PHE   3           HN       PHE   3   1.829   1.695   1.892
   25    HA   PHE   3           HA       PHE   3  -0.086   3.108   0.175
   26    HB2  PHE   3           HB2      PHE   3   2.769   2.857   0.155
   27    HB3  PHE   3           HB1      PHE   3   2.106   2.251  -1.368
   28    HD1  PHE   3           HD1      PHE   3   3.061   5.126   0.484
   29    HD2  PHE   3           HD2      PHE   3   0.446   3.780  -2.592
   30    HE1  PHE   3           HE1      PHE   3   2.817   7.440  -0.316
   31    HE2  PHE   3           HE2      PHE   3   0.198   6.092  -3.398
   32    HZ   PHE   3           HZ       PHE   3   1.385   7.925  -2.260
   33    H    LEU   4           HN       LEU   4  -1.670   1.783  -0.456
   34    HA   LEU   4           HA       LEU   4  -1.610  -0.982  -0.566
   35    HB2  LEU   4           HB2      LEU   4  -3.276   0.903  -2.233
   36    HB3  LEU   4           HB1      LEU   4  -3.598  -0.807  -2.014
   37    HG   LEU   4           HG       LEU   4  -3.554  -0.047   0.561
   38   HD11  LEU   4          HD11      LEU   4  -5.066   2.138   0.357
   39   HD12  LEU   4          HD12      LEU   4  -4.013   2.398  -1.034
   40   HD13  LEU   4          HD13      LEU   4  -3.317   2.201   0.574
   41   HD21  LEU   4          HD21      LEU   4  -5.437  -1.186   0.030
   42   HD22  LEU   4          HD22      LEU   4  -5.675  -0.308  -1.481
   43   HD23  LEU   4          HD23      LEU   4  -6.138   0.432   0.051
   44    H    ARG   5           HN       ARG   5  -2.148  -2.172  -2.757
   45    HA   ARG   5           HA       ARG   5  -0.648  -1.277  -5.037
   46    HB2  ARG   5           HB2      ARG   5   1.054  -2.245  -3.374
   47    HB3  ARG   5           HB1      ARG   5   0.327  -3.815  -3.736
   48    HG2  ARG   5           HG2      ARG   5   0.863  -3.469  -6.122
   49    HG3  ARG   5           HG1      ARG   5   1.671  -1.959  -5.694
   50    HD2  ARG   5           HD2      ARG   5   3.290  -3.127  -4.371
   51    HD3  ARG   5           HD1      ARG   5   2.413  -4.646  -4.551
   52    HE   ARG   5           HE       ARG   5   3.107  -3.671  -7.094
   53   HH11  ARG   5          HH11      ARG   5   4.589  -5.048  -4.250
   54   HH12  ARG   5          HH12      ARG   5   5.910  -5.748  -5.125
   55   HH21  ARG   5          HH21      ARG   5   4.843  -4.591  -8.246
   56   HH22  ARG   5          HH22      ARG   5   6.054  -5.489  -7.393
   57    H    HIS   6           HN       HIS   6  -3.335  -1.969  -4.645
   58    HA   HIS   6           HA       HIS   6  -3.616  -4.600  -5.906
   59    HB2  HIS   6           HB2      HIS   6  -4.986  -3.725  -3.835
   60    HB3  HIS   6           HB1      HIS   6  -5.957  -2.923  -5.079
   61    HD1  HIS   6           HD1      HIS   6  -5.922  -5.201  -7.194
   62    HD2  HIS   6           HD2      HIS   6  -6.707  -5.734  -3.149
   63    HE1  HIS   6           HE1      HIS   6  -7.254  -7.329  -7.043
   64    HE2  HIS   6           HE2      HIS   6  -7.642  -7.677  -4.578
  Start of MODEL   12
    1    H1   HIS   1           HT1      HIS   1   3.399   5.595   6.003
    2    H2   HIS   1           HT2      HIS   1   4.911   4.800   5.843
    3    H3   HIS   1           HT3      HIS   1   3.496   3.894   6.193
    4    HA   HIS   1           HA       HIS   1   3.810   5.493   3.753
    5    HB2  HIS   1           HB2      HIS   1   4.729   2.716   4.433
    6    HB3  HIS   1           HB1      HIS   1   4.235   3.100   2.788
    7    HD1  HIS   1           HD1      HIS   1   7.075   2.294   3.089
    8    HD2  HIS   1           HD2      HIS   1   5.844   6.232   3.579
    9    HE1  HIS   1           HE1      HIS   1   9.128   3.693   2.700
   10    HE2  HIS   1           HE2      HIS   1   8.339   6.076   2.916
   11    H    ARG   2           HN       ARG   2   2.630   2.247   4.589
   12    HA   ARG   2           HA       ARG   2   0.629   1.222   4.240
   13    HB2  ARG   2           HB2      ARG   2  -0.636   3.931   4.621
   14    HB3  ARG   2           HB1      ARG   2  -1.324   2.355   4.985
   15    HG2  ARG   2           HG2      ARG   2  -0.518   2.407   7.045
   16    HG3  ARG   2           HG1      ARG   2   1.121   2.725   6.448
   17    HD2  ARG   2           HD2      ARG   2   0.945   4.962   6.772
   18    HD3  ARG   2           HD1      ARG   2  -0.772   4.995   6.377
   19    HE   ARG   2           HE       ARG   2  -0.191   3.705   8.877
   20   HH11  ARG   2          HH11      ARG   2  -0.803   6.765   7.315
   21   HH12  ARG   2          HH12      ARG   2  -1.360   7.535   8.762
   22   HH21  ARG   2          HH21      ARG   2  -0.923   4.716  10.782
   23   HH22  ARG   2          HH22      ARG   2  -1.427   6.372  10.731
   24    H    PHE   3           HN       PHE   3   1.985   2.061   1.933
   25    HA   PHE   3           HA       PHE   3  -0.059   3.125   0.148
   26    HB2  PHE   3           HB2      PHE   3   2.799   3.170   0.219
   27    HB3  PHE   3           HB1      PHE   3   2.264   2.465  -1.311
   28    HD1  PHE   3           HD1      PHE   3   2.856   5.462   0.485
   29    HD2  PHE   3           HD2      PHE   3   0.477   3.782  -2.618
   30    HE1  PHE   3           HE1      PHE   3   2.400   7.720  -0.382
   31    HE2  PHE   3           HE2      PHE   3   0.017   6.036  -3.491
   32    HZ   PHE   3           HZ       PHE   3   0.979   8.009  -2.373
   33    H    LEU   4           HN       LEU   4  -1.457   1.285   0.227
   34    HA   LEU   4           HA       LEU   4  -0.757  -1.338  -0.340
   35    HB2  LEU   4           HB2      LEU   4  -3.315   0.096  -1.052
   36    HB3  LEU   4           HB1      LEU   4  -3.105  -1.645  -1.019
   37    HG   LEU   4           HG       LEU   4  -2.342  -1.073   1.492
   38   HD11  LEU   4          HD11      LEU   4  -2.680   1.141   1.789
   39   HD12  LEU   4          HD12      LEU   4  -4.320   0.592   2.136
   40   HD13  LEU   4          HD13      LEU   4  -3.924   1.235   0.542
   41   HD21  LEU   4          HD21      LEU   4  -5.198  -1.381   0.569
   42   HD22  LEU   4          HD22      LEU   4  -4.587  -1.723   2.187
   43   HD23  LEU   4          HD23      LEU   4  -4.047  -2.694   0.817
   44    H    ARG   5           HN       ARG   5  -1.680  -2.492  -2.399
   45    HA   ARG   5           HA       ARG   5  -1.299  -1.015  -4.855
   46    HB2  ARG   5           HB2      ARG   5   1.007  -1.761  -3.971
   47    HB3  ARG   5           HB1      ARG   5   0.490  -3.394  -4.405
   48    HG2  ARG   5           HG2      ARG   5   0.117  -2.593  -6.726
   49    HG3  ARG   5           HG1      ARG   5   0.798  -1.035  -6.253
   50    HD2  ARG   5           HD2      ARG   5   2.925  -1.909  -5.959
   51    HD3  ARG   5           HD1      ARG   5   2.328  -3.556  -5.760
   52    HE   ARG   5           HE       ARG   5   1.802  -2.530  -8.370
   53   HH11  ARG   5          HH11      ARG   5   4.276  -3.956  -6.364
   54   HH12  ARG   5          HH12      ARG   5   5.157  -4.615  -7.701
   55   HH21  ARG   5          HH21      ARG   5   2.958  -3.396 -10.131
   56   HH22  ARG   5          HH22      ARG   5   4.409  -4.297  -9.840
   57    H    HIS   6           HN       HIS   6  -3.297  -1.620  -5.556
   58    HA   HIS   6           HA       HIS   6  -3.653  -4.484  -6.117
   59    HB2  HIS   6           HB2      HIS   6  -6.096  -4.198  -5.671
   60    HB3  HIS   6           HB1      HIS   6  -5.082  -4.011  -4.232
   61    HD1  HIS   6           HD1      HIS   6  -4.420  -1.272  -3.881
   62    HD2  HIS   6           HD2      HIS   6  -7.972  -2.273  -5.791
   63    HE1  HIS   6           HE1      HIS   6  -5.879   0.768  -3.699
   64    HE2  HIS   6           HE2      HIS   6  -7.990   0.168  -4.937
  Start of MODEL   13
    1    H1   HIS   1           HT1      HIS   1   2.899   3.842   6.475
    2    H2   HIS   1           HT2      HIS   1   2.289   5.344   5.910
    3    H3   HIS   1           HT3      HIS   1   3.895   5.236   6.506
    4    HA   HIS   1           HA       HIS   1   3.591   5.325   4.044
    5    HB2  HIS   1           HB2      HIS   1   5.497   4.290   5.652
    6    HB3  HIS   1           HB1      HIS   1   5.061   2.845   4.746
    7    HD1  HIS   1           HD1      HIS   1   4.545   4.352   2.009
    8    HD2  HIS   1           HD2      HIS   1   7.920   4.719   4.405
    9    HE1  HIS   1           HE1      HIS   1   6.378   5.130   0.473
   10    HE2  HIS   1           HE2      HIS   1   8.431   5.262   1.929
   11    H    ARG   2           HN       ARG   2   1.163   3.934   5.061
   12    HA   ARG   2           HA       ARG   2   0.951   1.359   3.953
   13    HB2  ARG   2           HB2      ARG   2  -0.921   3.422   4.944
   14    HB3  ARG   2           HB1      ARG   2  -1.600   2.262   3.810
   15    HG2  ARG   2           HG2      ARG   2  -1.180   0.450   5.224
   16    HG3  ARG   2           HG1      ARG   2  -0.038   1.378   6.213
   17    HD2  ARG   2           HD2      ARG   2  -2.075   1.145   7.447
   18    HD3  ARG   2           HD1      ARG   2  -1.943   2.822   6.921
   19    HE   ARG   2           HE       ARG   2  -3.454   1.202   5.107
   20   HH11  ARG   2          HH11      ARG   2  -3.619   3.047   8.065
   21   HH12  ARG   2          HH12      ARG   2  -5.319   3.347   7.930
   22   HH21  ARG   2          HH21      ARG   2  -5.690   1.595   4.928
   23   HH22  ARG   2          HH22      ARG   2  -6.495   2.523   6.149
   24    H    PHE   3           HN       PHE   3   1.945   1.456   1.903
   25    HA   PHE   3           HA       PHE   3   0.626   3.059  -0.148
   26    HB2  PHE   3           HB2      PHE   3   3.291   2.100   0.272
   27    HB3  PHE   3           HB1      PHE   3   2.702   1.541  -1.299
   28    HD1  PHE   3           HD1      PHE   3   2.867   4.629   0.787
   29    HD2  PHE   3           HD2      PHE   3   2.922   2.933  -3.116
   30    HE1  PHE   3           HE1      PHE   3   3.340   6.847  -0.166
   31    HE2  PHE   3           HE2      PHE   3   3.396   5.149  -4.076
   32    HZ   PHE   3           HZ       PHE   3   3.606   7.109  -2.601
   33    H    LEU   4           HN       LEU   4  -1.281   2.006  -0.573
   34    HA   LEU   4           HA       LEU   4  -1.714  -0.721  -0.731
   35    HB2  LEU   4           HB2      LEU   4  -3.052   1.459  -2.332
   36    HB3  LEU   4           HB1      LEU   4  -3.667  -0.171  -2.131
   37    HG   LEU   4           HG       LEU   4  -3.442   0.519   0.453
   38   HD11  LEU   4          HD11      LEU   4  -4.545   2.943   0.311
   39   HD12  LEU   4          HD12      LEU   4  -3.480   3.037  -1.091
   40   HD13  LEU   4          HD13      LEU   4  -2.810   2.688   0.502
   41   HD21  LEU   4          HD21      LEU   4  -5.689   0.994  -1.482
   42   HD22  LEU   4          HD22      LEU   4  -5.876   1.245   0.254
   43   HD23  LEU   4          HD23      LEU   4  -5.462  -0.353  -0.366
   44    H    ARG   5           HN       ARG   5  -1.829  -2.199  -2.455
   45    HA   ARG   5           HA       ARG   5  -0.586  -1.413  -4.982
   46    HB2  ARG   5           HB2      ARG   5   1.110  -2.385  -3.282
   47    HB3  ARG   5           HB1      ARG   5   0.318  -3.932  -3.608
   48    HG2  ARG   5           HG2      ARG   5   1.109  -4.037  -5.756
   49    HG3  ARG   5           HG1      ARG   5   1.264  -2.285  -5.903
   50    HD2  ARG   5           HD2      ARG   5   3.159  -2.359  -4.316
   51    HD3  ARG   5           HD1      ARG   5   3.031  -4.117  -4.286
   52    HE   ARG   5           HE       ARG   5   4.080  -4.196  -6.319
   53   HH11  ARG   5          HH11      ARG   5   3.012  -0.927  -5.726
   54   HH12  ARG   5          HH12      ARG   5   3.843  -0.274  -7.098
   55   HH21  ARG   5          HH21      ARG   5   5.174  -3.339  -8.122
   56   HH22  ARG   5          HH22      ARG   5   5.070  -1.643  -8.459
   57    H    HIS   6           HN       HIS   6  -3.257  -1.861  -4.621
   58    HA   HIS   6           HA       HIS   6  -3.670  -4.516  -5.832
   59    HB2  HIS   6           HB2      HIS   6  -5.976  -4.424  -4.946
   60    HB3  HIS   6           HB1      HIS   6  -4.764  -4.357  -3.659
   61    HD1  HIS   6           HD1      HIS   6  -7.015  -3.336  -2.419
   62    HD2  HIS   6           HD2      HIS   6  -5.059  -0.917  -5.174
   63    HE1  HIS   6           HE1      HIS   6  -7.784  -0.994  -1.922
   64    HE2  HIS   6           HE2      HIS   6  -6.520   0.461  -3.545
  Start of MODEL   14
    1    H1   HIS   1           HT1      HIS   1   2.922   5.177   5.508
    2    H2   HIS   1           HT2      HIS   1   4.620   5.137   5.760
    3    H3   HIS   1           HT3      HIS   1   3.682   3.717   5.985
    4    HA   HIS   1           HA       HIS   1   3.809   5.116   3.414
    5    HB2  HIS   1           HB2      HIS   1   5.542   3.325   2.861
    6    HB3  HIS   1           HB1      HIS   1   6.087   4.651   3.883
    7    HD1  HIS   1           HD1      HIS   1   7.209   3.998   6.000
    8    HD2  HIS   1           HD2      HIS   1   4.904   0.913   4.440
    9    HE1  HIS   1           HE1      HIS   1   7.660   2.010   7.473
   10    HE2  HIS   1           HE2      HIS   1   6.322   0.133   6.457
   11    H    ARG   2           HN       ARG   2   1.684   3.722   4.939
   12    HA   ARG   2           HA       ARG   2   1.378   1.110   3.821
   13    HB2  ARG   2           HB2      ARG   2  -0.271   2.940   5.488
   14    HB3  ARG   2           HB1      ARG   2  -1.118   1.685   4.595
   15    HG2  ARG   2           HG2      ARG   2  -0.259   0.006   5.854
   16    HG3  ARG   2           HG1      ARG   2   1.262   0.864   6.156
   17    HD2  ARG   2           HD2      ARG   2   0.333   2.145   7.869
   18    HD3  ARG   2           HD1      ARG   2  -1.319   1.828   7.341
   19    HE   ARG   2           HE       ARG   2   0.290   0.200   9.075
   20   HH11  ARG   2          HH11      ARG   2  -2.385   0.202   6.834
   21   HH12  ARG   2          HH12      ARG   2  -3.113  -1.217   7.508
   22   HH21  ARG   2          HH21      ARG   2  -0.666  -1.667   9.962
   23   HH22  ARG   2          HH22      ARG   2  -2.138  -2.278   9.284
   24    H    PHE   3           HN       PHE   3   1.854   1.897   1.582
   25    HA   PHE   3           HA       PHE   3  -0.374   3.221   0.258
   26    HB2  PHE   3           HB2      PHE   3   2.441   2.989  -0.211
   27    HB3  PHE   3           HB1      PHE   3   1.557   2.453  -1.645
   28    HD1  PHE   3           HD1      PHE   3   2.787   5.241   0.170
   29    HD2  PHE   3           HD2      PHE   3  -0.279   4.028  -2.520
   30    HE1  PHE   3           HE1      PHE   3   2.426   7.589  -0.471
   31    HE2  PHE   3           HE2      PHE   3  -0.646   6.373  -3.166
   32    HZ   PHE   3           HZ       PHE   3   0.708   8.157  -2.142
   33    H    LEU   4           HN       LEU   4  -1.889   1.477   0.569
   34    HA   LEU   4           HA       LEU   4  -1.548  -1.142  -0.293
   35    HB2  LEU   4           HB2      LEU   4  -4.075   0.508  -0.321
   36    HB3  LEU   4           HB1      LEU   4  -4.003  -1.241  -0.431
   37    HG   LEU   4           HG       LEU   4  -2.659  -0.905   1.868
   38   HD11  LEU   4          HD11      LEU   4  -4.208   1.570   1.428
   39   HD12  LEU   4          HD12      LEU   4  -2.737   1.297   2.361
   40   HD13  LEU   4          HD13      LEU   4  -4.304   0.843   3.032
   41   HD21  LEU   4          HD21      LEU   4  -4.682  -2.301   1.395
   42   HD22  LEU   4          HD22      LEU   4  -5.668  -0.878   1.735
   43   HD23  LEU   4          HD23      LEU   4  -4.652  -1.569   3.000
   44    H    ARG   5           HN       ARG   5  -0.761  -1.644  -2.247
   45    HA   ARG   5           HA       ARG   5  -2.081  -0.457  -4.600
   46    HB2  ARG   5           HB2      ARG   5   0.434   0.075  -4.088
   47    HB3  ARG   5           HB1      ARG   5   0.708  -1.547  -4.734
   48    HG2  ARG   5           HG2      ARG   5  -0.932  -0.421  -6.620
   49    HG3  ARG   5           HG1      ARG   5   0.066   0.942  -6.111
   50    HD2  ARG   5           HD2      ARG   5   2.051  -0.652  -6.405
   51    HD3  ARG   5           HD1      ARG   5   0.927  -1.679  -7.294
   52    HE   ARG   5           HE       ARG   5   1.014  -0.206  -9.047
   53   HH11  ARG   5          HH11      ARG   5   2.383   1.311  -6.218
   54   HH12  ARG   5          HH12      ARG   5   2.973   2.688  -7.088
   55   HH21  ARG   5          HH21      ARG   5   1.788   1.603 -10.193
   56   HH22  ARG   5          HH22      ARG   5   2.634   2.854  -9.345
   57    H    HIS   6           HN       HIS   6  -3.281  -1.886  -5.647
   58    HA   HIS   6           HA       HIS   6  -2.304  -4.641  -5.909
   59    HB2  HIS   6           HB2      HIS   6  -4.554  -5.525  -5.523
   60    HB3  HIS   6           HB1      HIS   6  -3.989  -4.617  -4.114
   61    HD1  HIS   6           HD1      HIS   6  -6.833  -4.828  -3.970
   62    HD2  HIS   6           HD2      HIS   6  -5.111  -1.981  -6.459
   63    HE1  HIS   6           HE1      HIS   6  -8.623  -3.106  -4.360
   64    HE2  HIS   6           HE2      HIS   6  -7.533  -1.353  -5.805
  Start of MODEL   15
    1    H1   HIS   1           HT1      HIS   1   2.429   6.706   5.537
    2    H2   HIS   1           HT2      HIS   1   2.334   5.136   6.223
    3    H3   HIS   1           HT3      HIS   1   1.244   5.599   4.981
    4    HA   HIS   1           HA       HIS   1   3.265   5.949   3.569
    5    HB2  HIS   1           HB2      HIS   1   4.396   4.257   5.811
    6    HB3  HIS   1           HB1      HIS   1   5.204   4.570   4.278
    7    HD1  HIS   1           HD1      HIS   1   5.941   7.092   3.853
    8    HD2  HIS   1           HD2      HIS   1   4.713   6.201   7.722
    9    HE1  HIS   1           HE1      HIS   1   6.764   8.996   5.275
   10    HE2  HIS   1           HE2      HIS   1   5.932   8.479   7.596
   11    H    ARG   2           HN       ARG   2   1.578   3.482   5.337
   12    HA   ARG   2           HA       ARG   2   2.098   1.227   3.801
   13    HB2  ARG   2           HB2      ARG   2   0.616   1.632   5.964
   14    HB3  ARG   2           HB1      ARG   2  -0.682   1.688   4.778
   15    HG2  ARG   2           HG2      ARG   2   0.345  -0.544   3.932
   16    HG3  ARG   2           HG1      ARG   2   1.097  -0.587   5.537
   17    HD2  ARG   2           HD2      ARG   2  -1.783   0.048   5.480
   18    HD3  ARG   2           HD1      ARG   2  -1.352  -1.587   4.979
   19    HE   ARG   2           HE       ARG   2  -1.201  -0.488   7.630
   20   HH11  ARG   2          HH11      ARG   2   0.039  -2.936   5.474
   21   HH12  ARG   2          HH12      ARG   2   0.521  -3.997   6.754
   22   HH21  ARG   2          HH21      ARG   2  -0.566  -1.882   9.316
   23   HH22  ARG   2          HH22      ARG   2   0.178  -3.399   8.935
   24    H    PHE   3           HN       PHE   3   2.241   1.711   1.617
   25    HA   PHE   3           HA       PHE   3  -0.229   2.591   0.297
   26    HB2  PHE   3           HB2      PHE   3   2.536   3.217  -0.099
   27    HB3  PHE   3           HB1      PHE   3   1.873   2.510  -1.577
   28    HD1  PHE   3           HD1      PHE   3   2.198   5.451   0.377
   29    HD2  PHE   3           HD2      PHE   3  -0.331   3.514  -2.444
   30    HE1  PHE   3           HE1      PHE   3   1.171   7.616  -0.183
   31    HE2  PHE   3           HE2      PHE   3  -1.362   5.675  -3.011
   32    HZ   PHE   3           HZ       PHE   3  -0.611   7.730  -1.880
   33    H    LEU   4           HN       LEU   4  -1.241   0.536   0.379
   34    HA   LEU   4           HA       LEU   4  -0.167  -1.878  -0.457
   35    HB2  LEU   4           HB2      LEU   4  -3.010  -0.912  -0.751
   36    HB3  LEU   4           HB1      LEU   4  -2.492  -2.583  -0.871
   37    HG   LEU   4           HG       LEU   4  -1.518  -2.006   1.564
   38   HD11  LEU   4          HD11      LEU   4  -3.598   0.011   0.985
   39   HD12  LEU   4          HD12      LEU   4  -2.204   0.089   2.062
   40   HD13  LEU   4          HD13      LEU   4  -3.659  -0.773   2.564
   41   HD21  LEU   4          HD21      LEU   4  -2.961  -3.886   1.017
   42   HD22  LEU   4          HD22      LEU   4  -4.357  -2.811   0.939
   43   HD23  LEU   4          HD23      LEU   4  -3.530  -3.073   2.474
   44    H    ARG   5           HN       ARG   5  -1.180  -3.076  -2.469
   45    HA   ARG   5           HA       ARG   5  -0.819  -1.344  -4.825
   46    HB2  ARG   5           HB2      ARG   5   1.138  -2.844  -4.363
   47    HB3  ARG   5           HB1      ARG   5   0.065  -4.227  -4.605
   48    HG2  ARG   5           HG2      ARG   5  -0.027  -3.935  -6.858
   49    HG3  ARG   5           HG1      ARG   5   0.187  -2.187  -6.755
   50    HD2  ARG   5           HD2      ARG   5   2.432  -2.330  -6.847
   51    HD3  ARG   5           HD1      ARG   5   2.482  -3.772  -5.833
   52    HE   ARG   5           HE       ARG   5   2.600  -3.693  -8.658
   53   HH11  ARG   5          HH11      ARG   5   1.264  -5.557  -6.028
   54   HH12  ARG   5          HH12      ARG   5   1.241  -7.038  -6.924
   55   HH21  ARG   5          HH21      ARG   5   2.569  -5.640  -9.839
   56   HH22  ARG   5          HH22      ARG   5   1.982  -7.086  -9.087
   57    H    HIS   6           HN       HIS   6  -3.077  -1.122  -5.038
   58    HA   HIS   6           HA       HIS   6  -4.519  -3.585  -5.759
   59    HB2  HIS   6           HB2      HIS   6  -6.589  -2.203  -5.386
   60    HB3  HIS   6           HB1      HIS   6  -5.610  -2.472  -3.936
   61    HD1  HIS   6           HD1      HIS   6  -5.368  -0.437  -2.573
   62    HD2  HIS   6           HD2      HIS   6  -5.768   0.467  -6.609
   63    HE1  HIS   6           HE1      HIS   6  -5.326   2.074  -2.707
   64    HE2  HIS   6           HE2      HIS   6  -5.656   2.599  -5.149
  Start of MODEL   16
    1    H1   HIS   1           HT1      HIS   1   2.711   5.198   5.582
    2    H2   HIS   1           HT2      HIS   1   4.390   5.015   5.887
    3    H3   HIS   1           HT3      HIS   1   3.332   3.675   6.066
    4    HA   HIS   1           HA       HIS   1   3.668   5.084   3.517
    5    HB2  HIS   1           HB2      HIS   1   5.263   3.192   2.982
    6    HB3  HIS   1           HB1      HIS   1   5.876   4.393   4.113
    7    HD1  HIS   1           HD1      HIS   1   4.213   0.973   4.243
    8    HD2  HIS   1           HD2      HIS   1   6.909   3.313   6.370
    9    HE1  HIS   1           HE1      HIS   1   5.045  -0.490   6.111
   10    HE2  HIS   1           HE2      HIS   1   6.608   0.976   7.437
   11    H    ARG   2           HN       ARG   2   1.298   4.052   4.761
   12    HA   ARG   2           HA       ARG   2   0.735   1.414   3.893
   13    HB2  ARG   2           HB2      ARG   2  -0.754   3.654   5.075
   14    HB3  ARG   2           HB1      ARG   2  -1.721   2.628   4.025
   15    HG2  ARG   2           HG2      ARG   2  -1.603   0.842   5.418
   16    HG3  ARG   2           HG1      ARG   2   0.003   1.282   6.024
   17    HD2  ARG   2           HD2      ARG   2  -1.002   3.106   7.320
   18    HD3  ARG   2           HD1      ARG   2  -2.597   2.647   6.726
   19    HE   ARG   2           HE       ARG   2  -1.091   1.371   8.812
   20   HH11  ARG   2          HH11      ARG   2  -3.577   0.922   6.403
   21   HH12  ARG   2          HH12      ARG   2  -4.319  -0.403   7.236
   22   HH21  ARG   2          HH21      ARG   2  -2.066  -0.371   9.908
   23   HH22  ARG   2          HH22      ARG   2  -3.462  -1.136   9.226
   24    H    PHE   3           HN       PHE   3   1.675   1.648   1.712
   25    HA   PHE   3           HA       PHE   3  -0.081   3.011  -0.194
   26    HB2  PHE   3           HB2      PHE   3   2.746   2.561  -0.042
   27    HB3  PHE   3           HB1      PHE   3   2.117   1.901  -1.557
   28    HD1  PHE   3           HD1      PHE   3   3.188   4.821   0.155
   29    HD2  PHE   3           HD2      PHE   3   0.635   3.457  -2.964
   30    HE1  PHE   3           HE1      PHE   3   3.156   7.086  -0.804
   31    HE2  PHE   3           HE2      PHE   3   0.599   5.720  -3.930
   32    HZ   PHE   3           HZ       PHE   3   1.861   7.538  -2.850
   33    H    LEU   4           HN       LEU   4  -1.766   1.430  -0.040
   34    HA   LEU   4           HA       LEU   4  -1.507  -1.300  -0.427
   35    HB2  LEU   4           HB2      LEU   4  -3.764   0.492  -1.321
   36    HB3  LEU   4           HB1      LEU   4  -3.854  -1.254  -1.178
   37    HG   LEU   4           HG       LEU   4  -3.076  -0.658   1.323
   38   HD11  LEU   4          HD11      LEU   4  -4.211   1.817   0.179
   39   HD12  LEU   4          HD12      LEU   4  -3.041   1.595   1.478
   40   HD13  LEU   4          HD13      LEU   4  -4.760   1.355   1.790
   41   HD21  LEU   4          HD21      LEU   4  -5.963  -0.374   0.554
   42   HD22  LEU   4          HD22      LEU   4  -5.267  -1.133   1.987
   43   HD23  LEU   4          HD23      LEU   4  -5.115  -1.914   0.413
   44    H    ARG   5           HN       ARG   5  -0.370  -2.202  -2.027
   45    HA   ARG   5           HA       ARG   5  -0.382  -1.053  -4.692
   46    HB2  ARG   5           HB2      ARG   5   1.686  -1.982  -3.557
   47    HB3  ARG   5           HB1      ARG   5   0.989  -3.590  -3.792
   48    HG2  ARG   5           HG2      ARG   5   1.336  -3.559  -6.047
   49    HG3  ARG   5           HG1      ARG   5   1.232  -1.800  -6.154
   50    HD2  ARG   5           HD2      ARG   5   3.519  -3.336  -4.927
   51    HD3  ARG   5           HD1      ARG   5   3.514  -2.654  -6.552
   52    HE   ARG   5           HE       ARG   5   3.931  -1.249  -4.088
   53   HH11  ARG   5          HH11      ARG   5   2.819  -0.936  -7.382
   54   HH12  ARG   5          HH12      ARG   5   3.146   0.762  -7.462
   55   HH21  ARG   5          HH21      ARG   5   4.362   0.984  -4.193
   56   HH22  ARG   5          HH22      ARG   5   4.023   1.853  -5.652
   57    H    HIS   6           HN       HIS   6  -2.748  -1.486  -4.873
   58    HA   HIS   6           HA       HIS   6  -3.164  -3.847  -6.440
   59    HB2  HIS   6           HB2      HIS   6  -3.460  -4.777  -4.175
   60    HB3  HIS   6           HB1      HIS   6  -4.709  -3.567  -3.850
   61    HD1  HIS   6           HD1      HIS   6  -6.967  -4.523  -4.057
   62    HD2  HIS   6           HD2      HIS   6  -4.305  -6.314  -6.697
   63    HE1  HIS   6           HE1      HIS   6  -8.310  -6.248  -5.300
   64    HE2  HIS   6           HE2      HIS   6  -6.698  -7.260  -6.950
  Start of MODEL   17
    1    H1   HIS   1           HT1      HIS   1   1.255   5.566   4.857
    2    H2   HIS   1           HT2      HIS   1   2.415   6.681   5.454
    3    H3   HIS   1           HT3      HIS   1   2.263   5.130   6.172
    4    HA   HIS   1           HA       HIS   1   3.362   5.870   3.562
    5    HB2  HIS   1           HB2      HIS   1   4.377   4.098   5.795
    6    HB3  HIS   1           HB1      HIS   1   5.284   4.649   4.390
    7    HD1  HIS   1           HD1      HIS   1   5.625   7.361   4.303
    8    HD2  HIS   1           HD2      HIS   1   4.642   5.688   7.978
    9    HE1  HIS   1           HE1      HIS   1   6.249   9.091   6.018
   10    HE2  HIS   1           HE2      HIS   1   5.721   8.024   8.239
   11    H    ARG   2           HN       ARG   2   1.592   3.433   5.307
   12    HA   ARG   2           HA       ARG   2   2.171   1.178   3.763
   13    HB2  ARG   2           HB2      ARG   2  -0.465   1.858   5.078
   14    HB3  ARG   2           HB1      ARG   2   0.081   0.255   4.607
   15    HG2  ARG   2           HG2      ARG   2   1.364   0.009   6.431
   16    HG3  ARG   2           HG1      ARG   2   1.892   1.701   6.412
   17    HD2  ARG   2           HD2      ARG   2   0.587   1.876   8.236
   18    HD3  ARG   2           HD1      ARG   2  -0.722   1.986   7.060
   19    HE   ARG   2           HE       ARG   2  -1.448  -0.085   7.719
   20   HH11  ARG   2          HH11      ARG   2   1.772   0.438   8.957
   21   HH12  ARG   2          HH12      ARG   2   1.754  -0.978   9.954
   22   HH21  ARG   2          HH21      ARG   2  -1.475  -1.947   9.030
   23   HH22  ARG   2          HH22      ARG   2  -0.089  -2.333   9.995
   24    H    PHE   3           HN       PHE   3   2.297   1.795   1.587
   25    HA   PHE   3           HA       PHE   3  -0.170   2.693   0.303
   26    HB2  PHE   3           HB2      PHE   3   2.628   3.101  -0.177
   27    HB3  PHE   3           HB1      PHE   3   1.860   2.443  -1.626
   28    HD1  PHE   3           HD1      PHE   3   2.469   5.355   0.316
   29    HD2  PHE   3           HD2      PHE   3  -0.268   3.619  -2.442
   30    HE1  PHE   3           HE1      PHE   3   1.598   7.593  -0.223
   31    HE2  PHE   3           HE2      PHE   3  -1.143   5.854  -2.987
   32    HZ   PHE   3           HZ       PHE   3  -0.209   7.844  -1.877
   33    H    LEU   4           HN       LEU   4  -1.378   0.789   0.326
   34    HA   LEU   4           HA       LEU   4  -0.521  -1.749  -0.390
   35    HB2  LEU   4           HB2      LEU   4  -3.238  -0.515  -0.832
   36    HB3  LEU   4           HB1      LEU   4  -2.886  -2.233  -0.877
   37    HG   LEU   4           HG       LEU   4  -1.956  -1.669   1.578
   38   HD11  LEU   4          HD11      LEU   4  -3.794   0.525   0.847
   39   HD12  LEU   4          HD12      LEU   4  -2.443   0.499   1.981
   40   HD13  LEU   4          HD13      LEU   4  -3.998  -0.193   2.446
   41   HD21  LEU   4          HD21      LEU   4  -3.450  -3.427   1.370
   42   HD22  LEU   4          HD22      LEU   4  -4.686  -2.422   0.613
   43   HD23  LEU   4          HD23      LEU   4  -4.359  -2.268   2.339
   44    H    ARG   5           HN       ARG   5  -1.102  -2.986  -2.359
   45    HA   ARG   5           HA       ARG   5  -0.794  -1.332  -4.780
   46    HB2  ARG   5           HB2      ARG   5   1.173  -2.838  -3.994
   47    HB3  ARG   5           HB1      ARG   5   0.181  -4.169  -4.602
   48    HG2  ARG   5           HG2      ARG   5   0.070  -2.674  -6.757
   49    HG3  ARG   5           HG1      ARG   5   1.548  -1.981  -6.086
   50    HD2  ARG   5           HD2      ARG   5   2.150  -3.762  -7.575
   51    HD3  ARG   5           HD1      ARG   5   2.481  -4.278  -5.922
   52    HE   ARG   5           HE       ARG   5  -0.078  -5.150  -6.557
   53   HH11  ARG   5          HH11      ARG   5   3.193  -5.711  -7.634
   54   HH12  ARG   5          HH12      ARG   5   2.882  -7.339  -8.136
   55   HH21  ARG   5          HH21      ARG   5  -0.490  -7.291  -7.217
   56   HH22  ARG   5          HH22      ARG   5   0.791  -8.236  -7.900
   57    H    HIS   6           HN       HIS   6  -2.991  -1.254  -5.244
   58    HA   HIS   6           HA       HIS   6  -4.076  -3.737  -6.340
   59    HB2  HIS   6           HB2      HIS   6  -6.308  -3.235  -5.335
   60    HB3  HIS   6           HB1      HIS   6  -5.070  -3.651  -4.141
   61    HD1  HIS   6           HD1      HIS   6  -6.792  -2.368  -2.496
   62    HD2  HIS   6           HD2      HIS   6  -4.753  -0.016  -5.249
   63    HE1  HIS   6           HE1      HIS   6  -6.999  -0.009  -1.649
   64    HE2  HIS   6           HE2      HIS   6  -5.832   1.405  -3.376
  Start of MODEL   18
    1    H1   HIS   1           HT1      HIS   1   4.359   5.042   6.207
    2    H2   HIS   1           HT2      HIS   1   3.217   3.766   6.328
    3    H3   HIS   1           HT3      HIS   1   2.728   5.305   5.750
    4    HA   HIS   1           HA       HIS   1   3.836   5.071   3.779
    5    HB2  HIS   1           HB2      HIS   1   5.396   3.122   3.428
    6    HB3  HIS   1           HB1      HIS   1   5.953   4.306   4.606
    7    HD1  HIS   1           HD1      HIS   1   5.838   3.585   7.138
    8    HD2  HIS   1           HD2      HIS   1   5.008   0.569   4.403
    9    HE1  HIS   1           HE1      HIS   1   5.990   1.438   8.439
   10    HE2  HIS   1           HE2      HIS   1   5.396  -0.366   6.783
   11    H    ARG   2           HN       ARG   2   1.350   4.101   4.951
   12    HA   ARG   2           HA       ARG   2   0.777   1.484   4.018
   13    HB2  ARG   2           HB2      ARG   2  -0.780   3.771   5.088
   14    HB3  ARG   2           HB1      ARG   2  -1.668   2.603   4.120
   15    HG2  ARG   2           HG2      ARG   2  -1.932   1.544   6.075
   16    HG3  ARG   2           HG1      ARG   2  -0.292   0.949   5.761
   17    HD2  ARG   2           HD2      ARG   2  -0.353   1.783   7.998
   18    HD3  ARG   2           HD1      ARG   2   0.577   2.920   7.023
   19    HE   ARG   2           HE       ARG   2  -2.204   3.604   7.253
   20   HH11  ARG   2          HH11      ARG   2   0.939   3.877   8.743
   21   HH12  ARG   2          HH12      ARG   2   0.538   5.316   9.618
   22   HH21  ARG   2          HH21      ARG   2  -2.734   5.497   8.402
   23   HH22  ARG   2          HH22      ARG   2  -1.548   6.236   9.425
   24    H    PHE   3           HN       PHE   3   1.827   1.808   1.874
   25    HA   PHE   3           HA       PHE   3   0.116   3.195  -0.055
   26    HB2  PHE   3           HB2      PHE   3   2.941   2.804   0.185
   27    HB3  PHE   3           HB1      PHE   3   2.385   2.147  -1.359
   28    HD1  PHE   3           HD1      PHE   3   3.330   5.069   0.414
   29    HD2  PHE   3           HD2      PHE   3   0.904   3.683  -2.797
   30    HE1  PHE   3           HE1      PHE   3   3.274   7.345  -0.522
   31    HE2  PHE   3           HE2      PHE   3   0.845   5.956  -3.738
   32    HZ   PHE   3           HZ       PHE   3   2.030   7.790  -2.601
   33    H    LEU   4           HN       LEU   4  -1.552   1.613  -0.046
   34    HA   LEU   4           HA       LEU   4  -1.271  -1.107  -0.458
   35    HB2  LEU   4           HB2      LEU   4  -3.463   0.707  -1.464
   36    HB3  LEU   4           HB1      LEU   4  -3.567  -1.041  -1.365
   37    HG   LEU   4           HG       LEU   4  -2.945  -0.498   1.193
   38   HD11  LEU   4          HD11      LEU   4  -4.648   1.500   1.610
   39   HD12  LEU   4          HD12      LEU   4  -4.032   1.997   0.034
   40   HD13  LEU   4          HD13      LEU   4  -2.919   1.757   1.381
   41   HD21  LEU   4          HD21      LEU   4  -5.381  -0.630   1.652
   42   HD22  LEU   4          HD22      LEU   4  -4.808  -1.857   0.522
   43   HD23  LEU   4          HD23      LEU   4  -5.678  -0.445  -0.077
   44    H    ARG   5           HN       ARG   5  -1.398  -2.439  -2.306
   45    HA   ARG   5           HA       ARG   5  -0.918  -1.138  -4.891
   46    HB2  ARG   5           HB2      ARG   5   1.230  -1.918  -3.656
   47    HB3  ARG   5           HB1      ARG   5   0.695  -3.545  -4.093
   48    HG2  ARG   5           HG2      ARG   5   0.713  -1.595  -6.294
   49    HG3  ARG   5           HG1      ARG   5   2.294  -1.995  -5.622
   50    HD2  ARG   5           HD2      ARG   5   0.841  -4.413  -5.900
   51    HD3  ARG   5           HD1      ARG   5   0.671  -3.512  -7.406
   52    HE   ARG   5           HE       ARG   5   2.908  -3.826  -7.824
   53   HH11  ARG   5          HH11      ARG   5   2.207  -4.751  -4.531
   54   HH12  ARG   5          HH12      ARG   5   3.756  -5.480  -4.275
   55   HH21  ARG   5          HH21      ARG   5   4.946  -4.784  -7.486
   56   HH22  ARG   5          HH22      ARG   5   5.311  -5.499  -5.951
   57    H    HIS   6           HN       HIS   6  -3.114  -1.752  -5.309
   58    HA   HIS   6           HA       HIS   6  -3.301  -4.387  -6.467
   59    HB2  HIS   6           HB2      HIS   6  -5.318  -5.057  -5.254
   60    HB3  HIS   6           HB1      HIS   6  -3.965  -4.828  -4.137
   61    HD1  HIS   6           HD1      HIS   6  -4.000  -2.108  -3.220
   62    HD2  HIS   6           HD2      HIS   6  -7.561  -4.003  -4.214
   63    HE1  HIS   6           HE1      HIS   6  -5.802  -0.818  -2.031
   64    HE2  HIS   6           HE2      HIS   6  -7.938  -2.038  -2.575
  Start of MODEL   19
    1    H1   HIS   1           HT1      HIS   1   4.517   3.552   6.455
    2    H2   HIS   1           HT2      HIS   1   2.907   2.957   6.438
    3    H3   HIS   1           HT3      HIS   1   3.246   4.536   5.859
    4    HA   HIS   1           HA       HIS   1   4.290   3.777   3.990
    5    HB2  HIS   1           HB2      HIS   1   4.852   1.359   3.718
    6    HB3  HIS   1           HB1      HIS   1   5.715   2.131   5.044
    7    HD1  HIS   1           HD1      HIS   1   4.002  -0.873   4.308
    8    HD2  HIS   1           HD2      HIS   1   4.152   1.635   7.618
    9    HE1  HIS   1           HE1      HIS   1   3.217  -2.270   6.246
   10    HE2  HIS   1           HE2      HIS   1   3.228  -0.705   8.220
   11    H    ARG   2           HN       ARG   2   1.641   4.312   4.572
   12    HA   ARG   2           HA       ARG   2  -0.111   2.214   3.786
   13    HB2  ARG   2           HB2      ARG   2  -0.347   5.131   4.298
   14    HB3  ARG   2           HB1      ARG   2  -1.591   4.398   3.293
   15    HG2  ARG   2           HG2      ARG   2  -2.404   3.095   5.003
   16    HG3  ARG   2           HG1      ARG   2  -0.871   3.126   5.894
   17    HD2  ARG   2           HD2      ARG   2  -1.243   5.330   6.646
   18    HD3  ARG   2           HD1      ARG   2  -2.549   5.589   5.491
   19    HE   ARG   2           HE       ARG   2  -3.472   3.554   7.010
   20   HH11  ARG   2          HH11      ARG   2  -2.161   6.695   7.782
   21   HH12  ARG   2          HH12      ARG   2  -3.090   6.864   9.233
   22   HH21  ARG   2          HH21      ARG   2  -4.696   3.776   8.918
   23   HH22  ARG   2          HH22      ARG   2  -4.529   5.207   9.879
   24    H    PHE   3           HN       PHE   3   1.396   1.684   1.897
   25    HA   PHE   3           HA       PHE   3   0.736   3.292  -0.465
   26    HB2  PHE   3           HB2      PHE   3   3.106   1.930   0.408
   27    HB3  PHE   3           HB1      PHE   3   2.611   1.324  -1.178
   28    HD1  PHE   3           HD1      PHE   3   4.292   3.905   0.588
   29    HD2  PHE   3           HD2      PHE   3   2.132   3.084  -2.987
   30    HE1  PHE   3           HE1      PHE   3   5.291   5.891  -0.468
   31    HE2  PHE   3           HE2      PHE   3   3.128   5.068  -4.049
   32    HZ   PHE   3           HZ       PHE   3   4.710   6.474  -2.789
   33    H    LEU   4           HN       LEU   4  -1.403   2.410  -0.621
   34    HA   LEU   4           HA       LEU   4  -2.081  -0.268  -0.755
   35    HB2  LEU   4           HB2      LEU   4  -3.285   2.029  -2.296
   36    HB3  LEU   4           HB1      LEU   4  -4.034   0.458  -2.077
   37    HG   LEU   4           HG       LEU   4  -3.639   1.112   0.499
   38   HD11  LEU   4          HD11      LEU   4  -2.819   3.220   0.513
   39   HD12  LEU   4          HD12      LEU   4  -4.535   3.617   0.418
   40   HD13  LEU   4          HD13      LEU   4  -3.543   3.633  -1.041
   41   HD21  LEU   4          HD21      LEU   4  -5.952   1.590   0.612
   42   HD22  LEU   4          HD22      LEU   4  -5.750   0.464  -0.730
   43   HD23  LEU   4          HD23      LEU   4  -5.986   2.183  -1.048
   44    H    ARG   5           HN       ARG   5  -1.261  -1.799  -2.013
   45    HA   ARG   5           HA       ARG   5  -0.762  -1.168  -4.846
   46    HB2  ARG   5           HB2      ARG   5   1.257  -1.604  -3.152
   47    HB3  ARG   5           HB1      ARG   5   0.864  -3.286  -3.527
   48    HG2  ARG   5           HG2      ARG   5   1.568  -3.114  -5.682
   49    HG3  ARG   5           HG1      ARG   5   1.158  -1.401  -5.799
   50    HD2  ARG   5           HD2      ARG   5   3.318  -2.138  -3.914
   51    HD3  ARG   5           HD1      ARG   5   3.676  -2.293  -5.633
   52    HE   ARG   5           HE       ARG   5   2.491   0.226  -5.000
   53   HH11  ARG   5          HH11      ARG   5   5.495  -1.551  -4.970
   54   HH12  ARG   5          HH12      ARG   5   6.481  -0.130  -5.068
   55   HH21  ARG   5          HH21      ARG   5   3.786   2.095  -5.129
   56   HH22  ARG   5          HH22      ARG   5   5.511   1.939  -5.157
   57    H    HIS   6           HN       HIS   6  -2.971  -1.976  -5.097
   58    HA   HIS   6           HA       HIS   6  -2.949  -4.800  -5.700
   59    HB2  HIS   6           HB2      HIS   6  -3.691  -4.487  -3.240
   60    HB3  HIS   6           HB1      HIS   6  -5.184  -3.834  -3.930
   61    HD1  HIS   6           HD1      HIS   6  -5.622  -5.802  -6.235
   62    HD2  HIS   6           HD2      HIS   6  -4.497  -6.943  -2.401
   63    HE1  HIS   6           HE1      HIS   6  -6.343  -8.201  -6.008
   64    HE2  HIS   6           HE2      HIS   6  -5.575  -8.894  -3.711
  Start of MODEL   20
    1    H1   HIS   1           HT1      HIS   1   4.014   3.590   5.935
    2    H2   HIS   1           HT2      HIS   1   3.437   5.207   5.933
    3    H3   HIS   1           HT3      HIS   1   5.078   4.878   5.554
    4    HA   HIS   1           HA       HIS   1   3.898   5.357   3.584
    5    HB2  HIS   1           HB2      HIS   1   4.698   2.486   4.058
    6    HB3  HIS   1           HB1      HIS   1   4.261   3.082   2.460
    7    HD1  HIS   1           HD1      HIS   1   7.128   2.025   3.322
    8    HD2  HIS   1           HD2      HIS   1   5.977   6.003   2.979
    9    HE1  HIS   1           HE1      HIS   1   9.256   3.311   2.951
   10    HE2  HIS   1           HE2      HIS   1   8.544   5.725   2.831
   11    H    ARG   2           HN       ARG   2   2.712   2.114   4.421
   12    HA   ARG   2           HA       ARG   2   0.668   1.140   4.198
   13    HB2  ARG   2           HB2      ARG   2   0.022   3.884   5.192
   14    HB3  ARG   2           HB1      ARG   2  -1.295   2.831   4.694
   15    HG2  ARG   2           HG2      ARG   2  -1.070   1.472   6.477
   16    HG3  ARG   2           HG1      ARG   2   0.695   1.636   6.513
   17    HD2  ARG   2           HD2      ARG   2   0.614   3.314   7.993
   18    HD3  ARG   2           HD1      ARG   2  -0.714   4.112   7.151
   19    HE   ARG   2           HE       ARG   2  -2.187   3.112   8.591
   20   HH11  ARG   2          HH11      ARG   2   0.911   1.528   8.860
   21   HH12  ARG   2          HH12      ARG   2   0.451   0.586  10.238
   22   HH21  ARG   2          HH21      ARG   2  -2.794   1.874  10.404
   23   HH22  ARG   2          HH22      ARG   2  -1.653   0.782  11.114
   24    H    PHE   3           HN       PHE   3   1.868   2.013   1.819
   25    HA   PHE   3           HA       PHE   3  -0.268   3.177   0.216
   26    HB2  PHE   3           HB2      PHE   3   2.588   3.117   0.070
   27    HB3  PHE   3           HB1      PHE   3   1.912   2.470  -1.430
   28    HD1  PHE   3           HD1      PHE   3   2.753   5.399   0.378
   29    HD2  PHE   3           HD2      PHE   3   0.083   3.883  -2.568
   30    HE1  PHE   3           HE1      PHE   3   2.321   7.691  -0.404
   31    HE2  PHE   3           HE2      PHE   3  -0.354   6.172  -3.356
   32    HZ   PHE   3           HZ       PHE   3   0.766   8.080  -2.274
   33    H    LEU   4           HN       LEU   4  -1.766   1.470   0.217
   34    HA   LEU   4           HA       LEU   4  -1.258  -1.197  -0.347
   35    HB2  LEU   4           HB2      LEU   4  -3.703   0.418  -1.069
   36    HB3  LEU   4           HB1      LEU   4  -3.620  -1.334  -1.032
   37    HG   LEU   4           HG       LEU   4  -2.825  -0.816   1.480
   38   HD11  LEU   4          HD11      LEU   4  -4.682   0.993   2.111
   39   HD12  LEU   4          HD12      LEU   4  -4.223   1.603   0.521
   40   HD13  LEU   4          HD13      LEU   4  -3.002   1.415   1.779
   41   HD21  LEU   4          HD21      LEU   4  -4.722  -2.244   0.617
   42   HD22  LEU   4          HD22      LEU   4  -5.737  -0.806   0.724
   43   HD23  LEU   4          HD23      LEU   4  -4.989  -1.468   2.178
   44    H    ARG   5           HN       ARG   5  -1.118  -2.417  -2.189
   45    HA   ARG   5           HA       ARG   5  -1.089  -0.965  -4.750
   46    HB2  ARG   5           HB2      ARG   5   1.077  -2.333  -3.443
   47    HB3  ARG   5           HB1      ARG   5   0.691  -3.154  -4.960
   48    HG2  ARG   5           HG2      ARG   5   0.815  -0.878  -6.060
   49    HG3  ARG   5           HG1      ARG   5   1.520  -0.295  -4.551
   50    HD2  ARG   5           HD2      ARG   5   3.467  -0.871  -5.518
   51    HD3  ARG   5           HD1      ARG   5   3.028  -2.497  -4.995
   52    HE   ARG   5           HE       ARG   5   1.928  -1.949  -7.543
   53   HH11  ARG   5          HH11      ARG   5   4.955  -2.687  -5.970
   54   HH12  ARG   5          HH12      ARG   5   5.649  -3.424  -7.375
   55   HH21  ARG   5          HH21      ARG   5   2.839  -2.919  -9.391
   56   HH22  ARG   5          HH22      ARG   5   4.448  -3.556  -9.318
   57    H    HIS   6           HN       HIS   6  -2.997  -1.658  -5.573
   58    HA   HIS   6           HA       HIS   6  -3.158  -4.456  -6.331
   59    HB2  HIS   6           HB2      HIS   6  -5.440  -4.745  -5.475
   60    HB3  HIS   6           HB1      HIS   6  -4.304  -4.415  -4.159
   61    HD1  HIS   6           HD1      HIS   6  -6.938  -3.848  -3.225
   62    HD2  HIS   6           HD2      HIS   6  -4.971  -1.073  -5.612
   63    HE1  HIS   6           HE1      HIS   6  -8.085  -1.653  -2.789
   64    HE2  HIS   6           HE2      HIS   6  -6.822   0.026  -4.178