*HEADER    NEUROPEPTIDE                            15-SEP-99   1D1F              
*TITLE     SOLUTION STRUCTURE OF LACTAM-BRIDGED C-TERMINAL ANALOGUE-             
*TITLE    2 III OF NEUROPEPTIDE Y                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: C-TERMINAL ANALOGUE OF NEUROPEPTIDE Y, A POTENT            
*COMPND   3 Y2 RECEPTOR AGONIST;                                                 
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: C-TERMINAL ANALOGUE;                                       
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES;                                                       
*COMPND   8 OTHER_DETAILS: SYNTHETIC WITH MUTATIONS:L24A, I28K, T32E             
*COMPND   9 AND A LACTAM-BRIDGE WAS INTRODUCED BETWEEN POSITIONS (28)            
*COMPND  10 AND (32)                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                                
*KEYWDS    LACTAM-BRIDGED, HELIX                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    S.YAO, R.S.NORTON                                                     
*REVDAT   1   16-JUN-00 1D1F    0                                                




!24A ACE
assign (resid 24A and name  HA#) (resid 24 and name   HN) 0.00 0  4.80
assign (resid 24A and name  HA#) (resid 25 and name   HN) 0.00 0  5.90
!24 ALA
assign (resid 24 and name   HA) (resid 25 and name   HN) 0.00 0  3.40
assign (resid 24 and name   HA) (resid 27 and name  HB#) 0.00 0  5.28
!25 ARG
assign (resid 25 and name   HN) (resid 25 and name  HG#) 0.00 0  7.70
assign (resid 25 and name   HA) (resid 25 and name  HD#) 0.00 0  7.80
assign (resid 25 and name   HA) (resid 28 and name   HN) 0.00 0  4.20
assign (resid 25 and name   HA) (resid 28 and name  HB#) 0.00 0  5.38
!26 HIS
assign (resid 26 and name   HA) (resid 27 and name   HN) 0.00 0  3.20
assign (resid 26 and name   HA) (resid 29 and name   HN) 0.00 0  4.60
assign (resid 26 and name   HA) (resid 29 and name  HB#) 0.00 0  5.70
!27 TYR
assign (resid 27 and name   HN) (resid 27 and name  HB2) 0.00 0  3.60
assign (resid 27 and name   HN) (resid 27 and name  HB1) 0.00 0  3.60
assign (resid 27 and name   HN) (resid 28 and name   HN) 0.00 0  3.30
assign (resid 27 and name   HA) (resid 28 and name   HN) 0.00 0  3.00
assign (resid 27 and name   HA) (resid 30 and name  HB#) 0.00 0  5.70
assign (resid 27 and name   HA) (resid 30 and name   HG) 0.00 0  5.30
assign (resid 27 and name  HB2) (resid 28 and name   HN) 0.00 0  4.10
assign (resid 27 and name  HB1) (resid 28 and name   HN) 0.00 0  4.10
assign (resid 27 and name  HB#) (resid 28 and name   HN) 0.00 0  3.90
assign (resid 27 and name  HD#) (resid 28 and name   HN) 0.00 0  9.10
!28 LYS
assign (resid 28 and name   HN) (resid 28 and name  HB2) 0.00 0  3.50
assign (resid 28 and name   HN) (resid 28 and name  HB1) 0.00 0  3.50
assign (resid 28 and name   HN) (resid 28 and name  HG2) 0.00 0  5.70
assign (resid 28 and name   HN) (resid 28 and name  HG1) 0.00 0  5.70
assign (resid 28 and name   HN) (resid 28 and name  HD2) 0.00 0  6.60
assign (resid 28 and name   HN) (resid 28 and name  HD1) 0.00 0  6.60
assign (resid 28 and name   HN) (resid 28 and name  HD#) 0.00 0  6.25
assign (resid 28 and name   HN) (resid 29 and name   HN) 0.00 0  3.20
assign (resid 28 and name   HA) (resid 28 and name  HD2) 0.00 0  4.60
assign (resid 28 and name   HA) (resid 28 and name  HD1) 0.00 0  4.60
assign (resid 28 and name   HA) (resid 29 and name   HN) 0.00 0  3.50
assign (resid 28 and name   HA) (resid 31 and name   HN) 0.00 0  4.20
assign (resid 28 and name   HA) (resid 31 and name   HB) 0.00 0  4.10
assign (resid 28 and name   HA) (resid 31 and name HG1#) 0.00 0  6.78
assign (resid 28 and name  HB2) (resid 28 and name  HE2) 0.00 0  8.55
assign (resid 28 and name  HB2) (resid 28 and name  HE1) 0.00 0  8.55
assign (resid 28 and name  HB2) (resid 29 and name   HN) 0.00 0  4.00
assign (resid 28 and name  HB1) (resid 28 and name  HE2) 0.00 0  8.55
assign (resid 28 and name  HB1) (resid 28 and name  HE1) 0.00 0  8.55
assign (resid 28 and name  HB1) (resid 29 and name   HN) 0.00 0  4.00
assign (resid 28 and name  HB#) (resid 28 and name  HE#) 0.00 0  6.87
assign (resid 28 and name  HB#) (resid 29 and name   HN) 0.00 0  3.65
assign (resid 28 and name  HG2) (resid 28 and name  HE2) 0.00 0  4.20
assign (resid 28 and name  HG2) (resid 28 and name  HE1) 0.00 0  4.20
assign (resid 28 and name  HG2) (resid 28 and name  HZ1) 0.00 0  4.90
assign (resid 28 and name  HG2) (resid 29 and name   HN) 0.00 0  5.10
assign (resid 28 and name  HG1) (resid 28 and name  HE2) 0.00 0  4.20
assign (resid 28 and name  HG1) (resid 28 and name  HE1) 0.00 0  4.20
assign (resid 28 and name  HG1) (resid 28 and name  HZ1) 0.00 0  4.90
assign (resid 28 and name  HG1) (resid 29 and name   HN) 0.00 0  5.10
assign (resid 28 and name  HG#) (resid 28 and name  HZ1) 0.00 0  4.67
assign (resid 28 and name  HG#) (resid 29 and name   HN) 0.00 0  4.92
assign (resid 28 and name   NZ) (resid 32 and name   CD) 0.00 0  1.30
assign (resid 28 and name  HZ1) (resid 32 and name   HN) 0.00 0  5.90
assign (resid 28 and name  HZ1) (resid 32 and name  HB#) 0.00 0  6.80
assign (resid 28 and name  HZ1) (resid 32 and name  HG#) 0.00 0  5.00
!29 ASN
assign (resid 29 and name   HN) (resid 29 and name   HA) 0.00 0  2.90
assign (resid 29 and name   HA) (resid 29 and name HD21) 0.00 0  6.50
assign (resid 29 and name   HA) (resid 29 and name HD22) 0.00 0  6.50
assign (resid 29 and name   HA) (resid 32 and name  HB#) 0.00 0  5.10
!30 LEU
assign (resid 30 and name   HN) (resid 30 and name   HG) 0.00 0  3.80
assign (resid 30 and name   HN) (resid 31 and name   HN) 0.00 0  3.30
assign (resid 30 and name   HA) (resid 30 and name   HG) 0.00 0  3.70
assign (resid 30 and name   HA) (resid 33 and name  HB2) 0.00 0  4.00
assign (resid 30 and name   HA) (resid 33 and name  HB1) 0.00 0  4.00
assign (resid 30 and name   HA) (resid 33 and name  HB#) 0.00 0  3.80
!31 ILE
assign (resid 31 and name   HN) (resid 31 and name   HB) 0.00 0  3.40
assign (resid 31 and name   HN) (resid 31 and name HG12) 0.00 0  4.50
assign (resid 31 and name   HN) (resid 31 and name HG11) 0.00 0  4.50
assign (resid 31 and name   HN) (resid 31 and name HG1#) 0.00 0  4.31
assign (resid 31 and name   HN) (resid 31 and name HD1#) 0.00 0  7.70
assign (resid 31 and name   HA) (resid 32 and name   HN) 0.00 0  3.30
assign (resid 31 and name   HA) (resid 34 and name   HN) 0.00 0  4.00
assign (resid 31 and name   HA) (resid 34 and name  HB#) 0.00 0  5.30
assign (resid 31 and name   HA) (resid 34 and name  HG2) 0.00 0  7.40
assign (resid 31 and name   HA) (resid 34 and name  HG1) 0.00 0  7.40
assign (resid 31 and name   HA) (resid 34 and name  HG#) 0.00 0  7.20
assign (resid 31 and name   HB) (resid 32 and name   HN) 0.00 0  3.20
assign (resid 31 and name HG2#) (resid 32 and name   HN) 0.00 0  6.30
assign (resid 31 and name HG1#) (resid 32 and name   HN) 0.00 0  8.38
!32 GLU
assign (resid 32 and name   HN) (resid 32 and name  HG#) 0.00 0  5.60
assign (resid 32 and name   HA) (resid 33 and name   HN) 0.00 0  3.10
assign (resid 32 and name  HG#) (resid 33 and name   HN) 0.00 0  8.00
!33 ARG
assign (resid 33 and name   HN) (resid 33 and name  HB2) 0.00 0  3.60
assign (resid 33 and name   HN) (resid 33 and name  HB1) 0.00 0  3.60
assign (resid 33 and name   HN) (resid 33 and name  HG#) 0.00 0  5.80
assign (resid 33 and name   HN) (resid 34 and name   HN) 0.00 0  3.00
assign (resid 33 and name   HA) (resid 33 and name  HD#) 0.00 0  7.70
assign (resid 33 and name   HA) (resid 34 and name   HN) 0.00 0  3.40
assign (resid 33 and name   HA) (resid 36 and name   HN) 0.00 0  4.60
assign (resid 33 and name  HB2) (resid 34 and name   HN) 0.00 0  4.30
assign (resid 33 and name  HB1) (resid 34 and name   HN) 0.00 0  4.30
assign (resid 33 and name  HB#) (resid 34 and name   HN) 0.00 0  4.06
assign (resid 33 and name  HG#) (resid 34 and name   HN) 0.00 0  7.80
!34 GLN
assign (resid 34 and name   HN) (resid 34 and name  HG2) 0.00 0  5.80
assign (resid 34 and name   HN) (resid 34 and name  HG1) 0.00 0  5.80
assign (resid 34 and name   HN) (resid 34 and name  HG#) 0.00 0  5.49
assign (resid 34 and name   HN) (resid 35 and name   HN) 0.00 0  3.50
!35 ARG
assign (resid 35 and name   HN) (resid 35 and name   HA) 0.00 0  2.90
assign (resid 35 and name   HN) (resid 35 and name  HB2) 0.00 0  3.90
assign (resid 35 and name   HN) (resid 35 and name  HB1) 0.00 0  3.90
assign (resid 35 and name   HN) (resid 35 and name  HB#) 0.00 0  3.65
assign (resid 35 and name   HN) (resid 35 and name  HG2) 0.00 0  6.00
assign (resid 35 and name   HN) (resid 35 and name  HG1) 0.00 0  6.00
assign (resid 35 and name   HN) (resid 35 and name  HG#) 0.00 0  5.74
assign (resid 35 and name   HN) (resid 36 and name   HN) 0.00 0  3.20
assign (resid 35 and name   HA) (resid 35 and name  HD#) 0.00 0  7.20
assign (resid 35 and name   HA) (resid 36 and name   HN) 0.00 0  3.30
!36 TYR
assign (resid 36 and name   HN) (resid 36 and name   HA) 0.00 0  2.90
assign (resid 36 and name   HN) (resid 36 and name  HB#) 0.00 0  3.84
assign (resid 36 and name   HN) (resid 36 and name   H1) 0.00 0  5.20
assign (resid 36 and name   HN) (resid 36 and name   H2) 0.00 0  5.30


restraints dihedral

                reset

      assign (resid 24A and name c) (resid 24 and name n)
             (resid 24 and name ca) (resid 24 and name c)  1  -60.0   30.0  2
      assign (resid 24 and name c) (resid 25 and name n)
             (resid 25 and name ca) (resid 25 and name c)  1  -60.0   40.0  2
      assign (resid 27 and name c) (resid 28 and name n)
             (resid 28 and name ca) (resid 28 and name c)  1  -60.0   30.0  2
      assign (resid 28 and name c) (resid 29 and name n)
             (resid 29 and name ca) (resid 29 and name c)  1  -60.0   30.0  2
      assign (resid 30 and name c) (resid 31 and name n)
             (resid 31 and name ca) (resid 31 and name c)  1  -60.0   40.0  2
      assign (resid 32 and name c) (resid 33 and name n)
             (resid 33 and name ca) (resid 33 and name c)  1  -60.0   40.0  2
      assign (resid 33 and name c) (resid 34 and name n)
             (resid 34 and name ca) (resid 34 and name c)  1  -60.0   30.0  2
      assign (resid 34 and name c) (resid 35 and name n)
             (resid 35 and name ca) (resid 35 and name c)  1  -60.0   30.0  2
      assign (resid 35 and name c) (resid 36 and name n)
             (resid 36 and name ca) (resid 36 and name c)  1 -120.0   40.0  2
end





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE  24          1HA       ACE  24   1.399  -0.316  -2.481
    2   2H    ACE  24          2HA       ACE  24  -0.061   0.440  -1.840
    3   3H    ACE  24          3HA       ACE  24   1.113  -0.276  -0.739
    4    H    ALA  24           H        ALA  24   2.424   1.220   0.224
    5    HA   ALA  24           HA       ALA  24   2.551   3.951  -0.890
    6   1HB   ALA  24          1HB       ALA  24   2.304   3.595   1.585
    7   2HB   ALA  24          2HB       ALA  24   3.795   4.452   1.201
    8   3HB   ALA  24          3HB       ALA  24   3.850   2.748   1.591
    9    H    ARG  25           H        ARG  25   3.581   2.416  -2.700
   10    HA   ARG  25           HA       ARG  25   5.986   1.397  -3.057
   11   1HB   ARG  25          2HB       ARG  25   6.157   2.582  -5.259
   12   2HB   ARG  25          1HB       ARG  25   4.610   1.883  -4.921
   13   1HG   ARG  25          2HG       ARG  25   3.798   3.878  -5.693
   14   2HG   ARG  25          1HG       ARG  25   4.068   4.409  -4.052
   15   1HD   ARG  25          2HD       ARG  25   6.179   5.508  -4.673
   16   2HD   ARG  25          1HD       ARG  25   6.223   4.644  -6.185
   17    HE   ARG  25           HE       ARG  25   4.080   6.648  -5.513
   18   1HH1  ARG  25          1HH2      ARG  25   6.439   5.451  -7.743
   19   2HH1  ARG  25          2HH2      ARG  25   6.024   6.540  -8.994
   20   1HH2  ARG  25          2HH1      ARG  25   3.490   8.070  -7.088
   21   2HH2  ARG  25          1HH1      ARG  25   4.266   8.085  -8.613
   22    H    HIS  26           H        HIS  26   5.901   4.944  -2.672
   23    HA   HIS  26           HA       HIS  26   8.645   5.391  -3.024
   24   1HB   HIS  26          2HB       HIS  26   6.686   6.807  -1.161
   25   2HB   HIS  26          1HB       HIS  26   8.305   7.417  -1.464
   26    HD1  HIS  26           HD1      HIS  26   8.753   7.405  -4.277
   27    HD2  HIS  26           HD2      HIS  26   4.920   7.981  -2.780
   28    HE1  HIS  26           HE1      HIS  26   7.360   8.520  -6.024
   29    H    TYR  27           H        TYR  27   7.103   4.098  -0.437
   30    HA   TYR  27           HA       TYR  27   9.350   4.219   1.423
   31   1HB   TYR  27          2HB       TYR  27   6.436   3.721   1.613
   32   2HB   TYR  27          1HB       TYR  27   7.316   2.496   2.503
   33    HD1  TYR  27           HD1      TYR  27   7.933   6.157   1.916
   34    HD2  TYR  27           HD2      TYR  27   7.315   3.047   4.761
   35    HE1  TYR  27           HE1      TYR  27   8.290   7.746   3.733
   36    HE2  TYR  27           HE2      TYR  27   7.672   4.640   6.576
   37    HH   TYR  27           HH       TYR  27   7.611   7.034   6.992
   38    H    LYS  28           H        LYS  28   8.798   2.344  -0.977
   39    HA   LYS  28           HA       LYS  28   9.445  -0.289   0.115
   40   1HB   LYS  28          2HB       LYS  28   8.727   0.625  -2.464
   41   2HB   LYS  28          1HB       LYS  28  10.420   0.274  -2.674
   42   1HG   LYS  28          2HG       LYS  28   9.835  -2.024  -1.504
   43   2HG   LYS  28          1HG       LYS  28   8.178  -1.572  -1.792
   44   1HD   LYS  28          2HD       LYS  28   8.978  -3.008  -3.586
   45   2HD   LYS  28          1HD       LYS  28   8.570  -1.431  -4.224
   46   1HE   LYS  28          2HE       LYS  28  10.828  -2.476  -4.958
   47   2HE   LYS  28          1HE       LYS  28  10.925  -0.802  -4.409
   48   1HZ   LYS  28          HZ        LYS  28  11.497  -3.196  -2.676
   49    H    ASN  29           H        ASN  29  11.097   2.365  -1.314
   50    HA   ASN  29           HA       ASN  29  13.766   1.824  -1.455
   51   1HB   ASN  29          2HB       ASN  29  12.426   4.318  -0.334
   52   2HB   ASN  29          1HB       ASN  29  14.164   4.215  -0.523
   53   1HD2  ASN  29          1HD2      ASN  29  11.331   5.098  -2.169
   54   2HD2  ASN  29          2HD2      ASN  29  12.011   5.066  -3.735
   55    H    LEU  30           H        LEU  30  12.318   3.016   1.516
   56    HA   LEU  30           HA       LEU  30  14.485   2.765   3.262
   57   1HB   LEU  30          2HB       LEU  30  11.555   2.225   3.931
   58   2HB   LEU  30          1HB       LEU  30  12.798   2.689   5.072
   59    HG   LEU  30           HG       LEU  30  11.807   4.405   2.722
   60   1HD1  LEU  30          1HD1      LEU  30  11.379   4.689   5.719
   61   2HD1  LEU  30          2HD1      LEU  30  10.182   4.177   4.551
   62   3HD1  LEU  30          3HD1      LEU  30  10.820   5.802   4.485
   63   1HD2  LEU  30          1HD2      LEU  30  14.205   4.875   3.260
   64   2HD2  LEU  30          2HD2      LEU  30  13.781   5.086   4.955
   65   3HD2  LEU  30          3HD2      LEU  30  13.180   6.206   3.743
   66    H    ILE  31           H        ILE  31  11.932   0.374   2.898
   67    HA   ILE  31           HA       ILE  31  13.255  -1.630   4.459
   68    HB   ILE  31           HB       ILE  31  11.144  -1.989   2.260
   69   1HG1  ILE  31          2HG1      ILE  31  10.303  -0.328   3.909
   70   2HG1  ILE  31          1HG1      ILE  31   9.415  -1.819   4.051
   71   1HG2  ILE  31          1HG2      ILE  31  10.477  -4.023   3.546
   72   2HG2  ILE  31          2HG2      ILE  31  11.800  -3.751   4.674
   73   3HG2  ILE  31          3HG2      ILE  31  12.137  -4.137   3.000
   74   1HD1  ILE  31          1HD1      ILE  31  10.777  -2.463   6.048
   75   2HD1  ILE  31          2HD1      ILE  31   9.978  -0.925   6.285
   76   3HD1  ILE  31          3HD1      ILE  31  11.695  -0.976   5.915
   77    H    GLU  32           H        GLU  32  13.588  -0.545   1.311
   78    HA   GLU  32           HA       GLU  32  15.112  -2.929   0.406
   79   1HB   GLU  32          2HB       GLU  32  14.337  -0.341  -1.003
   80   2HB   GLU  32          1HB       GLU  32  15.278  -1.606  -1.767
   81   1HG   GLU  32          2HG       GLU  32  13.513  -3.171  -1.670
   82   2HG   GLU  32          1HG       GLU  32  12.615  -2.249  -0.476
   83    H    ARG  33           H        ARG  33  15.857  -0.511   2.256
   84    HA   ARG  33           HA       ARG  33  18.548  -0.061   1.027
   85   1HB   ARG  33          2HB       ARG  33  17.499   2.026   1.801
   86   2HB   ARG  33          1HB       ARG  33  17.130   1.325   3.372
   87   1HG   ARG  33          2HG       ARG  33  19.545   1.132   3.889
   88   2HG   ARG  33          1HG       ARG  33  19.980   1.658   2.284
   89   1HD   ARG  33          2HD       ARG  33  18.424   3.370   4.270
   90   2HD   ARG  33          1HD       ARG  33  20.162   3.401   4.123
   91    HE   ARG  33           HE       ARG  33  19.919   4.070   1.755
   92   1HH1  ARG  33          1HH2      ARG  33  17.222   4.604   3.858
   93   2HH1  ARG  33          2HH2      ARG  33  16.554   5.884   2.944
   94   1HH2  ARG  33          2HH1      ARG  33  19.087   5.727   0.496
   95   2HH2  ARG  33          1HH1      ARG  33  17.665   6.543   0.963
   96    H    GLN  34           H        GLN  34  16.908  -1.102   3.867
   97    HA   GLN  34           HA       GLN  34  18.714  -1.854   5.733
   98   1HB   GLN  34          2HB       GLN  34  16.604  -3.804   4.650
   99   2HB   GLN  34          1HB       GLN  34  17.368  -3.879   6.232
  100   1HG   GLN  34          2HG       GLN  34  16.420  -1.495   6.651
  101   2HG   GLN  34          1HG       GLN  34  15.541  -1.661   5.145
  102   1HE2  GLN  34          1HE2      GLN  34  15.901  -4.434   7.393
  103   2HE2  GLN  34          2HE2      GLN  34  14.250  -4.424   7.792
  104    H    ARG  35           H        ARG  35  18.134  -4.310   3.170
  105    HA   ARG  35           HA       ARG  35  20.804  -5.395   3.784
  106   1HB   ARG  35          2HB       ARG  35  18.617  -6.807   3.428
  107   2HB   ARG  35          1HB       ARG  35  18.885  -6.528   1.715
  108   1HG   ARG  35          2HG       ARG  35  21.152  -7.572   1.878
  109   2HG   ARG  35          1HG       ARG  35  20.939  -7.785   3.604
  110   1HD   ARG  35          2HD       ARG  35  18.943  -9.240   3.155
  111   2HD   ARG  35          1HD       ARG  35  19.230  -9.139   1.442
  112    HE   ARG  35           HE       ARG  35  21.018 -10.398   3.492
  113   1HH1  ARG  35          1HH2      ARG  35  20.174  -9.949   0.171
  114   2HH1  ARG  35          2HH2      ARG  35  21.118 -11.251  -0.417
  115   1HH2  ARG  35          2HH1      ARG  35  22.332 -12.077   2.781
  116   2HH2  ARG  35          1HH1      ARG  35  22.417 -12.466   1.119
  117    H    TYR  36           H        TYR  36  19.626  -3.120   1.757
  118    HA   TYR  36           HA       TYR  36  21.868  -3.352  -0.140
  119   1HB   TYR  36          2HB       TYR  36  18.933  -3.264  -0.715
  120   2HB   TYR  36          1HB       TYR  36  19.858  -2.122  -1.657
  121    HD1  TYR  36           HD1      TYR  36  22.099  -3.098  -2.683
  122    HD2  TYR  36           HD2      TYR  36  18.726  -5.476  -1.632
  123    HE1  TYR  36           HE1      TYR  36  22.841  -4.833  -4.231
  124    HE2  TYR  36           HE2      TYR  36  19.477  -7.212  -3.190
  125    HH   TYR  36           HH       TYR  36  21.741  -6.744  -5.561
  126   1HT   TYR  36          1HT       TYR  36  22.701  -1.778   1.630
  127   2HT   TYR  36          2HT       TYR  36  22.298  -0.139   1.418
  Start of MODEL    2
    1   1H    ACE  24          1HA       ACE  24   2.130   5.398  -4.693
    2   2H    ACE  24          2HA       ACE  24   1.639   6.428  -3.349
    3   3H    ACE  24          3HA       ACE  24   0.795   4.912  -3.648
    4    H    ALA  24           H        ALA  24   1.365   3.371  -2.283
    5    HA   ALA  24           HA       ALA  24   3.050   3.233  -0.214
    6   1HB   ALA  24          1HB       ALA  24   1.592   1.321  -0.879
    7   2HB   ALA  24          2HB       ALA  24   3.215   0.761  -0.527
    8   3HB   ALA  24          3HB       ALA  24   2.691   0.924  -2.192
    9    H    ARG  25           H        ARG  25   4.105   2.242  -3.337
   10    HA   ARG  25           HA       ARG  25   6.632   1.427  -3.251
   11   1HB   ARG  25          2HB       ARG  25   7.167   2.904  -5.282
   12   2HB   ARG  25          1HB       ARG  25   5.761   1.879  -5.404
   13   1HG   ARG  25          2HG       ARG  25   4.263   3.779  -4.848
   14   2HG   ARG  25          1HG       ARG  25   5.637   4.844  -4.643
   15   1HD   ARG  25          2HD       ARG  25   5.066   3.380  -7.267
   16   2HD   ARG  25          1HD       ARG  25   4.444   4.975  -6.865
   17    HE   ARG  25           HE       ARG  25   7.374   4.405  -6.680
   18   1HH1  ARG  25          1HH2      ARG  25   4.772   6.176  -8.144
   19   2HH1  ARG  25          2HH2      ARG  25   5.777   7.326  -8.900
   20   1HH2  ARG  25          2HH1      ARG  25   8.740   5.903  -7.674
   21   2HH2  ARG  25          1HH1      ARG  25   8.081   7.155  -8.627
   22    H    HIS  26           H        HIS  26   5.952   4.822  -2.558
   23    HA   HIS  26           HA       HIS  26   8.696   5.654  -2.394
   24   1HB   HIS  26          2HB       HIS  26   6.265   6.809  -0.920
   25   2HB   HIS  26          1HB       HIS  26   7.799   7.637  -1.170
   26    HD1  HIS  26           HD1      HIS  26   4.696   6.675  -2.942
   27    HD2  HIS  26           HD2      HIS  26   8.401   8.360  -3.799
   28    HE1  HIS  26           HE1      HIS  26   4.628   7.684  -5.238
   29    H    TYR  27           H        TYR  27   7.184   3.523  -0.522
   30    HA   TYR  27           HA       TYR  27   8.958   3.921   1.841
   31   1HB   TYR  27          2HB       TYR  27   6.084   3.211   1.570
   32   2HB   TYR  27          1HB       TYR  27   6.975   2.083   2.580
   33    HD1  TYR  27           HD1      TYR  27   7.036   5.824   2.052
   34    HD2  TYR  27           HD2      TYR  27   6.854   2.600   4.830
   35    HE1  TYR  27           HE1      TYR  27   7.002   7.419   3.917
   36    HE2  TYR  27           HE2      TYR  27   6.821   4.192   6.679
   37    HH   TYR  27           HH       TYR  27   6.244   6.554   7.095
   38    H    LYS  28           H        LYS  28   9.167   2.567  -0.837
   39    HA   LYS  28           HA       LYS  28   9.579  -0.278  -0.134
   40   1HB   LYS  28          2HB       LYS  28   8.788   0.316  -2.435
   41   2HB   LYS  28          1HB       LYS  28  10.229   1.268  -2.711
   42   1HG   LYS  28          2HG       LYS  28  11.451  -1.045  -2.057
   43   2HG   LYS  28          1HG       LYS  28   9.917  -1.744  -2.520
   44   1HD   LYS  28          2HD       LYS  28  10.053  -0.660  -4.715
   45   2HD   LYS  28          1HD       LYS  28  11.557   0.127  -4.274
   46   1HE   LYS  28          2HE       LYS  28  11.068  -2.862  -4.721
   47   2HE   LYS  28          1HE       LYS  28  12.265  -1.829  -5.504
   48   1HZ   LYS  28          HZ        LYS  28  12.355  -2.615  -2.624
   49    H    ASN  29           H        ASN  29  11.618   2.166  -1.618
   50    HA   ASN  29           HA       ASN  29  14.172   1.286  -1.269
   51   1HB   ASN  29          2HB       ASN  29  13.576   3.589  -2.119
   52   2HB   ASN  29          1HB       ASN  29  13.338   4.121  -0.464
   53   1HD2  ASN  29          1HD2      ASN  29  15.719   3.702  -2.907
   54   2HD2  ASN  29          2HD2      ASN  29  17.079   3.885  -1.915
   55    H    LEU  30           H        LEU  30  12.536   3.090   1.232
   56    HA   LEU  30           HA       LEU  30  14.198   3.055   3.370
   57   1HB   LEU  30          2HB       LEU  30  11.261   2.251   3.502
   58   2HB   LEU  30          1HB       LEU  30  12.200   2.806   4.864
   59    HG   LEU  30           HG       LEU  30  11.432   4.469   2.403
   60   1HD1  LEU  30          1HD1      LEU  30   9.621   4.055   4.073
   61   2HD1  LEU  30          2HD1      LEU  30  10.119   5.733   4.079
   62   3HD1  LEU  30          3HD1      LEU  30  10.666   4.651   5.349
   63   1HD2  LEU  30          1HD2      LEU  30  13.706   5.160   3.253
   64   2HD2  LEU  30          2HD2      LEU  30  13.045   5.291   4.872
   65   3HD2  LEU  30          3HD2      LEU  30  12.497   6.371   3.603
   66    H    ILE  31           H        ILE  31  12.210   0.345   2.462
   67    HA   ILE  31           HA       ILE  31  13.555  -1.396   4.437
   68    HB   ILE  31           HB       ILE  31  11.185  -2.050   2.603
   69   1HG1  ILE  31          2HG1      ILE  31  11.155  -0.976   5.477
   70   2HG1  ILE  31          1HG1      ILE  31  10.662  -0.075   4.058
   71   1HG2  ILE  31          1HG2      ILE  31  10.765  -3.869   4.284
   72   2HG2  ILE  31          2HG2      ILE  31  12.159  -3.338   5.215
   73   3HG2  ILE  31          3HG2      ILE  31  12.365  -4.028   3.620
   74   1HD1  ILE  31          1HD1      ILE  31   9.289  -2.599   5.045
   75   2HD1  ILE  31          2HD1      ILE  31   8.859  -1.701   3.598
   76   3HD1  ILE  31          3HD1      ILE  31   8.687  -0.961   5.173
   77    H    GLU  32           H        GLU  32  13.573  -0.687   1.172
   78    HA   GLU  32           HA       GLU  32  14.896  -3.265   0.417
   79   1HB   GLU  32          2HB       GLU  32  13.095  -2.213  -1.042
   80   2HB   GLU  32          1HB       GLU  32  14.150  -0.859  -1.329
   81   1HG   GLU  32          2HG       GLU  32  15.823  -2.379  -2.482
   82   2HG   GLU  32          1HG       GLU  32  14.725  -3.733  -2.224
   83    H    ARG  33           H        ARG  33  15.750  -0.779   1.977
   84    HA   ARG  33           HA       ARG  33  18.350  -0.148   0.699
   85   1HB   ARG  33          2HB       ARG  33  17.083   1.766   1.303
   86   2HB   ARG  33          1HB       ARG  33  16.633   1.135   2.866
   87   1HG   ARG  33          2HG       ARG  33  19.076   1.350   3.586
   88   2HG   ARG  33          1HG       ARG  33  19.428   2.047   2.010
   89   1HD   ARG  33          2HD       ARG  33  17.377   3.122   3.999
   90   2HD   ARG  33          1HD       ARG  33  18.962   3.808   3.810
   91    HE   ARG  33           HE       ARG  33  16.773   3.734   1.728
   92   1HH1  ARG  33          1HH2      ARG  33  19.788   5.019   2.813
   93   2HH1  ARG  33          2HH2      ARG  33  19.824   6.299   1.677
   94   1HH2  ARG  33          2HH1      ARG  33  16.764   5.283   0.248
   95   2HH2  ARG  33          1HH1      ARG  33  18.033   6.446   0.116
   96    H    GLN  34           H        GLN  34  17.200  -0.599   3.917
   97    HA   GLN  34           HA       GLN  34  19.355  -1.255   5.410
   98   1HB   GLN  34          2HB       GLN  34  17.862  -2.753   6.755
   99   2HB   GLN  34          1HB       GLN  34  17.106  -1.233   6.334
  100   1HG   GLN  34          2HG       GLN  34  15.983  -2.414   4.360
  101   2HG   GLN  34          1HG       GLN  34  16.579  -3.936   5.006
  102   1HE2  GLN  34          1HE2      GLN  34  15.184  -4.918   6.493
  103   2HE2  GLN  34          2HE2      GLN  34  13.986  -4.080   7.358
  104    H    ARG  35           H        ARG  35  18.039  -3.473   3.083
  105    HA   ARG  35           HA       ARG  35  19.878  -5.631   3.867
  106   1HB   ARG  35          2HB       ARG  35  17.455  -6.050   3.313
  107   2HB   ARG  35          1HB       ARG  35  17.742  -5.459   1.690
  108   1HG   ARG  35          2HG       ARG  35  19.347  -7.380   1.308
  109   2HG   ARG  35          1HG       ARG  35  18.964  -7.981   2.906
  110   1HD   ARG  35          2HD       ARG  35  16.617  -8.346   2.232
  111   2HD   ARG  35          1HD       ARG  35  16.870  -7.455   0.753
  112    HE   ARG  35           HE       ARG  35  18.414  -9.136  -0.044
  113   1HH1  ARG  35          1HH2      ARG  35  16.438 -10.098   2.633
  114   2HH1  ARG  35          2HH2      ARG  35  16.560 -11.775   2.318
  115   1HH2  ARG  35          2HH1      ARG  35  18.638 -11.296  -0.478
  116   2HH2  ARG  35          1HH1      ARG  35  17.872 -12.480   0.492
  117    H    TYR  36           H        TYR  36  20.742  -3.033   2.564
  118    HA   TYR  36           HA       TYR  36  22.251  -4.171   0.280
  119   1HB   TYR  36          2HB       TYR  36  20.447  -2.065   0.175
  120   2HB   TYR  36          1HB       TYR  36  21.932  -1.193   0.479
  121    HD1  TYR  36           HD1      TYR  36  20.326  -3.680  -1.750
  122    HD2  TYR  36           HD2      TYR  36  23.530  -0.907  -1.319
  123    HE1  TYR  36           HE1      TYR  36  20.879  -3.957  -4.113
  124    HE2  TYR  36           HE2      TYR  36  24.076  -1.181  -3.688
  125    HH   TYR  36           HH       TYR  36  23.757  -2.712  -5.530
  126   1HT   TYR  36          1HT       TYR  36  23.173  -4.542   2.843
  127   2HT   TYR  36          2HT       TYR  36  24.533  -3.555   3.124
  Start of MODEL    3
    1   1H    ACE  24          1HA       ACE  24   0.930   4.122  -2.139
    2   2H    ACE  24          2HA       ACE  24   0.257   3.992  -0.517
    3   3H    ACE  24          3HA       ACE  24   0.255   2.587  -1.586
    4    H    ALA  24           H        ALA  24   1.822   1.142  -1.024
    5    HA   ALA  24           HA       ALA  24   4.128   2.056   0.594
    6   1HB   ALA  24          1HB       ALA  24   3.339  -0.743  -0.334
    7   2HB   ALA  24          2HB       ALA  24   2.924  -0.031   1.225
    8   3HB   ALA  24          3HB       ALA  24   4.605  -0.362   0.820
    9    H    ARG  25           H        ARG  25   4.268   3.162  -1.811
   10    HA   ARG  25           HA       ARG  25   6.236   1.556  -3.409
   11   1HB   ARG  25          2HB       ARG  25   4.382   2.535  -4.734
   12   2HB   ARG  25          1HB       ARG  25   4.712   4.134  -4.092
   13   1HG   ARG  25          2HG       ARG  25   6.904   4.216  -5.195
   14   2HG   ARG  25          1HG       ARG  25   6.785   2.541  -5.677
   15   1HD   ARG  25          2HD       ARG  25   4.696   4.523  -6.596
   16   2HD   ARG  25          1HD       ARG  25   6.223   4.473  -7.414
   17    HE   ARG  25           HE       ARG  25   4.305   2.175  -7.106
   18   1HH1  ARG  25          1HH2      ARG  25   6.949   3.646  -8.770
   19   2HH1  ARG  25          2HH2      ARG  25   6.900   2.597 -10.121
   20   1HH2  ARG  25          2HH1      ARG  25   4.258   0.683  -8.796
   21   2HH2  ARG  25          1HH1      ARG  25   5.362   0.811 -10.096
   22    H    HIS  26           H        HIS  26   5.852   4.923  -2.303
   23    HA   HIS  26           HA       HIS  26   8.713   5.451  -2.483
   24   1HB   HIS  26          2HB       HIS  26   6.488   6.977  -0.996
   25   2HB   HIS  26          1HB       HIS  26   8.087   7.606  -1.351
   26    HD1  HIS  26           HD1      HIS  26   5.620   9.017  -2.507
   27    HD2  HIS  26           HD2      HIS  26   7.775   6.075  -4.506
   28    HE1  HIS  26           HE1      HIS  26   5.248   9.254  -4.967
   29    H    TYR  27           H        TYR  27   7.585   3.279  -0.683
   30    HA   TYR  27           HA       TYR  27   9.317   3.866   1.636
   31   1HB   TYR  27          2HB       TYR  27   6.464   2.941   1.519
   32   2HB   TYR  27          1HB       TYR  27   7.473   1.930   2.539
   33    HD1  TYR  27           HD1      TYR  27   7.256   5.649   1.902
   34    HD2  TYR  27           HD2      TYR  27   7.305   2.508   4.784
   35    HE1  TYR  27           HE1      TYR  27   7.121   7.292   3.713
   36    HE2  TYR  27           HE2      TYR  27   7.168   4.159   6.581
   37    HH   TYR  27           HH       TYR  27   7.762   6.559   6.899
   38    H    LYS  28           H        LYS  28   9.122   2.326  -1.037
   39    HA   LYS  28           HA       LYS  28   9.814  -0.421  -0.333
   40   1HB   LYS  28          2HB       LYS  28   9.019   0.176  -2.647
   41   2HB   LYS  28          1HB       LYS  28  10.447   1.151  -2.915
   42   1HG   LYS  28          2HG       LYS  28  11.767  -1.040  -2.304
   43   2HG   LYS  28          1HG       LYS  28  10.249  -1.869  -2.575
   44   1HD   LYS  28          2HD       LYS  28  10.159  -1.081  -4.877
   45   2HD   LYS  28          1HD       LYS  28  11.526  -0.011  -4.604
   46   1HE   LYS  28          2HE       LYS  28  11.552  -3.074  -4.655
   47   2HE   LYS  28          1HE       LYS  28  12.450  -1.973  -5.700
   48   1HZ   LYS  28          HZ        LYS  28  13.689  -1.235  -3.618
   49    H    ASN  29           H        ASN  29  11.779   2.062  -1.843
   50    HA   ASN  29           HA       ASN  29  14.335   1.378  -1.474
   51   1HB   ASN  29          2HB       ASN  29  13.159   4.102  -0.775
   52   2HB   ASN  29          1HB       ASN  29  14.872   3.817  -1.059
   53   1HD2  ASN  29          1HD2      ASN  29  15.459   4.170  -3.244
   54   2HD2  ASN  29          2HD2      ASN  29  14.352   4.042  -4.532
   55    H    LEU  30           H        LEU  30  12.530   2.898   1.111
   56    HA   LEU  30           HA       LEU  30  14.484   2.854   3.142
   57   1HB   LEU  30          2HB       LEU  30  11.442   2.716   3.260
   58   2HB   LEU  30          1HB       LEU  30  12.420   2.836   4.703
   59    HG   LEU  30           HG       LEU  30  13.400   4.989   3.908
   60   1HD1  LEU  30          1HD1      LEU  30  12.402   6.188   1.982
   61   2HD1  LEU  30          2HD1      LEU  30  11.447   4.787   1.561
   62   3HD1  LEU  30          3HD1      LEU  30  13.206   4.740   1.442
   63   1HD2  LEU  30          1HD2      LEU  30  11.404   5.052   5.335
   64   2HD2  LEU  30          2HD2      LEU  30  10.357   4.934   3.932
   65   3HD2  LEU  30          3HD2      LEU  30  11.344   6.363   4.177
   66    H    ILE  31           H        ILE  31  11.953   0.501   2.495
   67    HA   ILE  31           HA       ILE  31  12.997  -1.417   4.456
   68    HB   ILE  31           HB       ILE  31  10.835  -1.655   2.309
   69   1HG1  ILE  31          2HG1      ILE  31  10.246   0.164   3.861
   70   2HG1  ILE  31          1HG1      ILE  31   9.168  -1.188   4.075
   71   1HG2  ILE  31          1HG2      ILE  31   9.900  -3.513   3.689
   72   2HG2  ILE  31          2HG2      ILE  31  11.285  -3.397   4.765
   73   3HG2  ILE  31          3HG2      ILE  31  11.509  -3.882   3.100
   74   1HD1  ILE  31          1HD1      ILE  31  10.456  -1.910   6.101
   75   2HD1  ILE  31          2HD1      ILE  31   9.866  -0.269   6.262
   76   3HD1  ILE  31          3HD1      ILE  31  11.552  -0.557   5.882
   77    H    GLU  32           H        GLU  32  13.689  -0.528   1.346
   78    HA   GLU  32           HA       GLU  32  14.903  -3.189   0.683
   79   1HB   GLU  32          2HB       GLU  32  13.111  -2.036  -0.797
   80   2HB   GLU  32          1HB       GLU  32  14.350  -0.884  -1.232
   81   1HG   GLU  32          2HG       GLU  32  15.525  -2.415  -2.572
   82   2HG   GLU  32          1HG       GLU  32  15.024  -3.805  -1.614
   83    H    ARG  33           H        ARG  33  15.745  -0.605   2.186
   84    HA   ARG  33           HA       ARG  33  18.419  -0.199   0.929
   85   1HB   ARG  33          2HB       ARG  33  17.364   1.929   1.416
   86   2HB   ARG  33          1HB       ARG  33  16.796   1.387   2.973
   87   1HG   ARG  33          2HG       ARG  33  18.889   1.651   4.019
   88   2HG   ARG  33          1HG       ARG  33  19.799   1.493   2.539
   89   1HD   ARG  33          2HD       ARG  33  17.929   3.880   2.813
   90   2HD   ARG  33          1HD       ARG  33  19.458   3.842   3.710
   91    HE   ARG  33           HE       ARG  33  19.533   3.142   0.831
   92   1HH1  ARG  33          1HH2      ARG  33  20.166   5.507   3.275
   93   2HH1  ARG  33          2HH2      ARG  33  21.288   6.404   2.346
   94   1HH2  ARG  33          2HH1      ARG  33  20.970   4.242  -0.430
   95   2HH2  ARG  33          1HH1      ARG  33  21.740   5.664   0.131
   96    H    GLN  34           H        GLN  34  16.834  -0.965   3.897
   97    HA   GLN  34           HA       GLN  34  18.876  -1.484   5.690
   98   1HB   GLN  34          2HB       GLN  34  17.449  -3.444   6.545
   99   2HB   GLN  34          1HB       GLN  34  16.592  -1.929   6.383
  100   1HG   GLN  34          2HG       GLN  34  15.558  -2.648   4.284
  101   2HG   GLN  34          1HG       GLN  34  16.482  -4.122   4.230
  102   1HE2  GLN  34          1HE2      GLN  34  15.728  -5.914   5.606
  103   2HE2  GLN  34          2HE2      GLN  34  14.270  -5.756   6.464
  104    H    ARG  35           H        ARG  35  17.915  -3.542   3.074
  105    HA   ARG  35           HA       ARG  35  20.097  -5.455   3.513
  106   1HB   ARG  35          2HB       ARG  35  17.824  -5.386   1.469
  107   2HB   ARG  35          1HB       ARG  35  18.986  -6.687   1.595
  108   1HG   ARG  35          2HG       ARG  35  18.232  -7.332   3.781
  109   2HG   ARG  35          1HG       ARG  35  17.338  -5.866   4.031
  110   1HD   ARG  35          2HD       ARG  35  15.661  -7.400   3.507
  111   2HD   ARG  35          1HD       ARG  35  15.905  -6.664   1.930
  112    HE   ARG  35           HE       ARG  35  17.572  -8.604   1.543
  113   1HH1  ARG  35          1HH2      ARG  35  14.696  -8.859   3.458
  114   2HH1  ARG  35          2HH2      ARG  35  14.550 -10.551   3.287
  115   1HH2  ARG  35          2HH1      ARG  35  17.402 -10.829   1.245
  116   2HH2  ARG  35          1HH1      ARG  35  16.098 -11.687   1.935
  117    H    TYR  36           H        TYR  36  21.120  -3.109   2.999
  118    HA   TYR  36           HA       TYR  36  22.109  -3.294   0.207
  119   1HB   TYR  36          2HB       TYR  36  20.691  -1.248   0.666
  120   2HB   TYR  36          1HB       TYR  36  21.864  -0.732   1.857
  121    HD1  TYR  36           HD1      TYR  36  21.681  -1.842  -1.716
  122    HD2  TYR  36           HD2      TYR  36  23.570   0.742   1.098
  123    HE1  TYR  36           HE1      TYR  36  22.940  -0.784  -3.530
  124    HE2  TYR  36           HE2      TYR  36  24.826   1.798  -0.730
  125    HH   TYR  36           HH       TYR  36  25.122   0.497  -3.750
  126   1HT   TYR  36          1HT       TYR  36  23.074  -2.233   3.500
  127   2HT   TYR  36          2HT       TYR  36  24.726  -2.571   3.251
  Start of MODEL    4
    1   1H    ACE  24          1HA       ACE  24   1.883   4.050  -4.879
    2   2H    ACE  24          2HA       ACE  24   0.798   4.748  -3.679
    3   3H    ACE  24          3HA       ACE  24   0.737   3.018  -4.021
    4    H    ALA  24           H        ALA  24   1.726   1.833  -2.448
    5    HA   ALA  24           HA       ALA  24   3.592   3.129  -0.581
    6   1HB   ALA  24          1HB       ALA  24   2.614   0.238  -0.735
    7   2HB   ALA  24          2HB       ALA  24   1.861   1.503   0.232
    8   3HB   ALA  24          3HB       ALA  24   3.485   0.950   0.608
    9    H    ARG  25           H        ARG  25   4.585   3.177  -3.072
   10    HA   ARG  25           HA       ARG  25   6.682   1.041  -3.206
   11   1HB   ARG  25          2HB       ARG  25   5.304   1.758  -5.345
   12   2HB   ARG  25          1HB       ARG  25   6.199   3.262  -5.282
   13   1HG   ARG  25          2HG       ARG  25   7.488   1.895  -6.748
   14   2HG   ARG  25          1HG       ARG  25   8.364   1.819  -5.233
   15   1HD   ARG  25          2HD       ARG  25   6.709  -0.320  -4.838
   16   2HD   ARG  25          1HD       ARG  25   6.661  -0.288  -6.573
   17    HE   ARG  25           HE       ARG  25   9.148  -0.476  -4.918
   18   1HH1  ARG  25          1HH2      ARG  25   7.475  -1.224  -7.883
   19   2HH1  ARG  25          2HH2      ARG  25   8.728  -2.215  -8.479
   20   1HH2  ARG  25          2HH1      ARG  25  10.774  -1.759  -5.654
   21   2HH2  ARG  25          1HH1      ARG  25  10.696  -2.495  -7.193
   22    H    HIS  26           H        HIS  26   6.146   4.485  -3.226
   23    HA   HIS  26           HA       HIS  26   8.852   5.328  -3.085
   24   1HB   HIS  26          2HB       HIS  26   6.603   6.698  -3.462
   25   2HB   HIS  26          1HB       HIS  26   6.556   6.825  -1.713
   26    HD1  HIS  26           HD1      HIS  26   9.373   7.462  -0.987
   27    HD2  HIS  26           HD2      HIS  26   7.541   8.968  -4.399
   28    HE1  HIS  26           HE1      HIS  26  10.556   9.562  -1.700
   29    H    TYR  27           H        TYR  27   7.124   3.654  -0.904
   30    HA   TYR  27           HA       TYR  27   8.864   4.402   1.413
   31   1HB   TYR  27          2HB       TYR  27   6.010   3.977   1.153
   32   2HB   TYR  27          1HB       TYR  27   6.661   2.739   2.212
   33    HD1  TYR  27           HD1      TYR  27   7.471   6.376   1.631
   34    HD2  TYR  27           HD2      TYR  27   6.420   3.377   4.475
   35    HE1  TYR  27           HE1      TYR  27   7.635   8.018   3.426
   36    HE2  TYR  27           HE2      TYR  27   6.581   5.042   6.270
   37    HH   TYR  27           HH       TYR  27   6.627   8.293   5.757
   38    H    LYS  28           H        LYS  28   9.211   2.544  -0.889
   39    HA   LYS  28           HA       LYS  28   9.488  -0.125   0.358
   40   1HB   LYS  28          2HB       LYS  28   8.813  -0.038  -1.974
   41   2HB   LYS  28          1HB       LYS  28  10.180   0.968  -2.402
   42   1HG   LYS  28          2HG       LYS  28  11.701  -0.974  -1.702
   43   2HG   LYS  28          1HG       LYS  28  10.266  -1.978  -1.559
   44   1HD   LYS  28          2HD       LYS  28   9.727  -1.701  -3.817
   45   2HD   LYS  28          1HD       LYS  28  10.893  -0.372  -4.046
   46   1HE   LYS  28          2HE       LYS  28  11.262  -3.341  -4.248
   47   2HE   LYS  28          1HE       LYS  28  12.304  -2.074  -4.902
   48   1HZ   LYS  28          HZ        LYS  28  12.396  -2.971  -2.084
   49    H    ASN  29           H        ASN  29  11.646   2.145  -1.235
   50    HA   ASN  29           HA       ASN  29  14.187   1.241  -0.776
   51   1HB   ASN  29          2HB       ASN  29  13.685   3.470  -1.785
   52   2HB   ASN  29          1HB       ASN  29  13.254   4.117  -0.216
   53   1HD2  ASN  29          1HD2      ASN  29  15.858   3.991  -2.381
   54   2HD2  ASN  29          2HD2      ASN  29  17.087   4.276  -1.251
   55    H    LEU  30           H        LEU  30  12.440   3.083   1.580
   56    HA   LEU  30           HA       LEU  30  13.929   3.242   3.820
   57   1HB   LEU  30          2HB       LEU  30  11.013   2.429   3.591
   58   2HB   LEU  30          1HB       LEU  30  11.742   2.792   5.127
   59    HG   LEU  30           HG       LEU  30  10.481   4.692   4.146
   60   1HD1  LEU  30          1HD1      LEU  30  13.447   5.237   4.551
   61   2HD1  LEU  30          2HD1      LEU  30  12.217   5.155   5.799
   62   3HD1  LEU  30          3HD1      LEU  30  12.174   6.442   4.614
   63   1HD2  LEU  30          1HD2      LEU  30  12.707   4.894   2.063
   64   2HD2  LEU  30          2HD2      LEU  30  11.411   6.038   2.310
   65   3HD2  LEU  30          3HD2      LEU  30  11.035   4.438   1.726
   66    H    ILE  31           H        ILE  31  12.282   0.410   2.785
   67    HA   ILE  31           HA       ILE  31  13.452  -1.245   4.948
   68    HB   ILE  31           HB       ILE  31  11.497  -2.070   2.738
   69   1HG1  ILE  31          2HG1      ILE  31  10.879  -1.192   5.607
   70   2HG1  ILE  31          1HG1      ILE  31  10.524  -0.267   4.168
   71   1HG2  ILE  31          1HG2      ILE  31  12.766  -3.950   3.851
   72   2HG2  ILE  31          2HG2      ILE  31  11.066  -4.009   4.236
   73   3HG2  ILE  31          3HG2      ILE  31  12.205  -3.388   5.414
   74   1HD1  ILE  31          1HD1      ILE  31   9.332  -3.004   4.780
   75   2HD1  ILE  31          2HD1      ILE  31   9.014  -2.051   3.338
   76   3HD1  ILE  31          3HD1      ILE  31   8.513  -1.464   4.912
   77    H    GLU  32           H        GLU  32  13.075  -1.233   1.594
   78    HA   GLU  32           HA       GLU  32  14.932  -3.280   0.931
   79   1HB   GLU  32          2HB       GLU  32  13.111  -2.385  -0.533
   80   2HB   GLU  32          1HB       GLU  32  14.038  -0.924  -0.769
   81   1HG   GLU  32          2HG       GLU  32  15.830  -2.214  -1.961
   82   2HG   GLU  32          1HG       GLU  32  14.927  -3.702  -1.689
   83    H    ARG  33           H        ARG  33  15.738  -0.477   2.172
   84    HA   ARG  33           HA       ARG  33  18.333  -0.149   0.743
   85   1HB   ARG  33          2HB       ARG  33  16.900   1.882   1.498
   86   2HB   ARG  33          1HB       ARG  33  17.265   1.454   3.150
   87   1HG   ARG  33          2HG       ARG  33  19.681   1.779   2.767
   88   2HG   ARG  33          1HG       ARG  33  19.433   1.947   1.044
   89   1HD   ARG  33          2HD       ARG  33  19.723   4.156   1.913
   90   2HD   ARG  33          1HD       ARG  33  18.043   4.005   1.481
   91    HE   ARG  33           HE       ARG  33  19.183   3.848   4.257
   92   1HH1  ARG  33          1HH2      ARG  33  16.454   4.406   2.175
   93   2HH1  ARG  33          2HH2      ARG  33  15.487   5.101   3.388
   94   1HH2  ARG  33          2HH1      ARG  33  17.889   4.637   5.912
   95   2HH2  ARG  33          1HH1      ARG  33  16.289   5.173   5.588
   96    H    GLN  34           H        GLN  34  16.922  -1.600   3.442
   97    HA   GLN  34           HA       GLN  34  19.281  -1.799   5.122
   98   1HB   GLN  34          2HB       GLN  34  16.694  -3.456   5.070
   99   2HB   GLN  34          1HB       GLN  34  17.820  -3.325   6.416
  100   1HG   GLN  34          2HG       GLN  34  17.382  -0.952   6.709
  101   2HG   GLN  34          1HG       GLN  34  16.338  -0.921   5.295
  102   1HE2  GLN  34          1HE2      GLN  34  14.462  -0.304   6.535
  103   2HE2  GLN  34          2HE2      GLN  34  13.734  -1.414   7.609
  104    H    ARG  35           H        ARG  35  18.055  -3.370   2.366
  105    HA   ARG  35           HA       ARG  35  19.829  -5.720   2.593
  106   1HB   ARG  35          2HB       ARG  35  17.902  -4.957   0.370
  107   2HB   ARG  35          1HB       ARG  35  18.578  -6.534   0.671
  108   1HG   ARG  35          2HG       ARG  35  16.574  -5.085   2.499
  109   2HG   ARG  35          1HG       ARG  35  16.214  -6.431   1.456
  110   1HD   ARG  35          2HD       ARG  35  16.428  -7.431   3.615
  111   2HD   ARG  35          1HD       ARG  35  17.932  -7.785   2.815
  112    HE   ARG  35           HE       ARG  35  19.019  -5.948   4.082
  113   1HH1  ARG  35          1HH2      ARG  35  15.940  -6.992   5.328
  114   2HH1  ARG  35          2HH2      ARG  35  16.246  -6.357   6.884
  115   1HH2  ARG  35          2HH1      ARG  35  19.448  -5.157   5.980
  116   2HH2  ARG  35          1HH1      ARG  35  18.337  -5.314   7.282
  117    H    TYR  36           H        TYR  36  20.854  -2.993   2.363
  118    HA   TYR  36           HA       TYR  36  22.371  -3.254  -0.166
  119   1HB   TYR  36          2HB       TYR  36  20.811  -1.240  -0.065
  120   2HB   TYR  36          1HB       TYR  36  21.680  -0.692   1.356
  121    HD1  TYR  36           HD1      TYR  36  22.170  -1.498  -2.276
  122    HD2  TYR  36           HD2      TYR  36  23.673   0.543   1.147
  123    HE1  TYR  36           HE1      TYR  36  23.825  -0.362  -3.674
  124    HE2  TYR  36           HE2      TYR  36  25.326   1.681  -0.267
  125    HH   TYR  36           HH       TYR  36  26.140   0.718  -3.302
  126   1HT   TYR  36          1HT       TYR  36  23.820  -4.656   1.261
  127   2HT   TYR  36          2HT       TYR  36  24.909  -3.869   2.302
  Start of MODEL    5
    1   1H    ACE  24          1HA       ACE  24   2.710   7.749   0.147
    2   2H    ACE  24          2HA       ACE  24   1.185   7.294  -0.617
    3   3H    ACE  24          3HA       ACE  24   2.603   7.648  -1.609
    4    H    ALA  24           H        ALA  24   0.814   5.210  -0.479
    5    HA   ALA  24           HA       ALA  24   2.042   3.147   0.618
    6   1HB   ALA  24          1HB       ALA  24   0.841   1.621  -0.939
    7   2HB   ALA  24          2HB       ALA  24   0.548   2.973  -2.023
    8   3HB   ALA  24          3HB       ALA  24  -0.165   2.958  -0.414
    9    H    ARG  25           H        ARG  25   3.145   4.189  -2.465
   10    HA   ARG  25           HA       ARG  25   4.998   1.852  -2.648
   11   1HB   ARG  25          2HB       ARG  25   4.320   3.991  -4.712
   12   2HB   ARG  25          1HB       ARG  25   5.471   2.696  -4.965
   13   1HG   ARG  25          2HG       ARG  25   3.692   0.997  -4.551
   14   2HG   ARG  25          1HG       ARG  25   2.511   2.274  -4.324
   15   1HD   ARG  25          2HD       ARG  25   2.896   3.069  -6.667
   16   2HD   ARG  25          1HD       ARG  25   4.160   1.886  -6.857
   17    HE   ARG  25           HE       ARG  25   2.548   0.084  -6.683
   18   1HH1  ARG  25          1HH2      ARG  25   1.191   3.228  -7.130
   19   2HH1  ARG  25          2HH2      ARG  25  -0.279   2.667  -7.799
   20   1HH2  ARG  25          2HH1      ARG  25   0.657  -0.720  -7.517
   21   2HH2  ARG  25          1HH1      ARG  25  -0.597   0.324  -8.015
   22    H    HIS  26           H        HIS  26   5.059   5.281  -2.063
   23    HA   HIS  26           HA       HIS  26   7.926   5.529  -2.581
   24   1HB   HIS  26          2HB       HIS  26   6.312   7.490  -2.768
   25   2HB   HIS  26          1HB       HIS  26   6.029   7.383  -1.041
   26    HD1  HIS  26           HD1      HIS  26   9.154   7.677  -3.224
   27    HD2  HIS  26           HD2      HIS  26   7.489   9.123   0.301
   28    HE1  HIS  26           HE1      HIS  26  10.725   9.314  -2.196
   29    H    TYR  27           H        TYR  27   7.050   3.440  -0.739
   30    HA   TYR  27           HA       TYR  27   8.810   4.163   1.552
   31   1HB   TYR  27          2HB       TYR  27   6.034   3.857   1.786
   32   2HB   TYR  27          1HB       TYR  27   6.629   2.255   2.227
   33    HD1  TYR  27           HD1      TYR  27   8.907   2.364   3.735
   34    HD2  TYR  27           HD2      TYR  27   5.923   5.409   3.612
   35    HE1  TYR  27           HE1      TYR  27   9.688   3.218   5.888
   36    HE2  TYR  27           HE2      TYR  27   6.711   6.249   5.772
   37    HH   TYR  27           HH       TYR  27   8.792   6.207   7.106
   38    H    LYS  28           H        LYS  28   8.785   2.659  -1.044
   39    HA   LYS  28           HA       LYS  28   9.390  -0.133  -0.207
   40   1HB   LYS  28          2HB       LYS  28   8.179   0.159  -2.334
   41   2HB   LYS  28          1HB       LYS  28   9.444   1.184  -2.966
   42   1HG   LYS  28          2HG       LYS  28  10.368  -1.524  -1.999
   43   2HG   LYS  28          1HG       LYS  28   9.324  -1.550  -3.393
   44   1HD   LYS  28          2HD       LYS  28  10.792  -0.088  -4.629
   45   2HD   LYS  28          1HD       LYS  28  11.831   0.192  -3.260
   46   1HE   LYS  28          2HE       LYS  28  11.415  -2.601  -4.383
   47   2HE   LYS  28          1HE       LYS  28  12.743  -1.547  -4.864
   48   1HZ   LYS  28          HZ        LYS  28  12.256  -2.263  -2.001
   49    H    ASN  29           H        ASN  29  11.123   2.234  -2.142
   50    HA   ASN  29           HA       ASN  29  13.669   1.363  -2.302
   51   1HB   ASN  29          2HB       ASN  29  12.919   3.693  -2.923
   52   2HB   ASN  29          1HB       ASN  29  13.093   4.190  -1.249
   53   1HD2  ASN  29          1HD2      ASN  29  15.227   5.006  -0.779
   54   2HD2  ASN  29          2HD2      ASN  29  16.586   4.595  -1.712
   55    H    LEU  30           H        LEU  30  12.649   3.072   0.585
   56    HA   LEU  30           HA       LEU  30  14.887   2.815   2.209
   57   1HB   LEU  30          2HB       LEU  30  11.992   2.539   3.137
   58   2HB   LEU  30          1HB       LEU  30  13.341   3.029   4.131
   59    HG   LEU  30           HG       LEU  30  12.176   4.603   1.768
   60   1HD1  LEU  30          1HD1      LEU  30  10.846   4.694   3.836
   61   2HD1  LEU  30          2HD1      LEU  30  11.586   6.245   3.512
   62   3HD1  LEU  30          3HD1      LEU  30  12.250   5.202   4.756
   63   1HD2  LEU  30          1HD2      LEU  30  14.524   5.328   3.582
   64   2HD2  LEU  30          2HD2      LEU  30  13.815   6.368   2.359
   65   3HD2  LEU  30          3HD2      LEU  30  14.661   4.917   1.871
   66    H    ILE  31           H        ILE  31  12.320   0.458   1.903
   67    HA   ILE  31           HA       ILE  31  13.263  -1.415   3.826
   68    HB   ILE  31           HB       ILE  31  11.799  -2.119   1.210
   69   1HG1  ILE  31          2HG1      ILE  31  10.595  -0.187   2.204
   70   2HG1  ILE  31          1HG1      ILE  31   9.634  -1.629   2.253
   71   1HG2  ILE  31          1HG2      ILE  31  11.621  -3.357   4.002
   72   2HG2  ILE  31          2HG2      ILE  31  12.428  -4.076   2.624
   73   3HG2  ILE  31          3HG2      ILE  31  10.688  -3.866   2.607
   74   1HD1  ILE  31          1HD1      ILE  31  10.199  -1.931   4.673
   75   2HD1  ILE  31          2HD1      ILE  31   9.449  -0.383   4.371
   76   3HD1  ILE  31          3HD1      ILE  31  11.185  -0.473   4.616
   77    H    GLU  32           H        GLU  32  14.585  -0.566   0.904
   78    HA   GLU  32           HA       GLU  32  16.163  -3.111   0.712
   79   1HB   GLU  32          2HB       GLU  32  15.713  -0.823  -1.278
   80   2HB   GLU  32          1HB       GLU  32  16.735  -2.214  -1.591
   81   1HG   GLU  32          2HG       GLU  32  14.848  -3.743  -1.441
   82   2HG   GLU  32          1HG       GLU  32  13.815  -2.533  -0.706
   83    H    ARG  33           H        ARG  33  16.433  -0.991   2.634
   84    HA   ARG  33           HA       ARG  33  19.180   0.034   2.097
   85   1HB   ARG  33          2HB       ARG  33  17.313   1.582   2.997
   86   2HB   ARG  33          1HB       ARG  33  17.321   0.646   4.465
   87   1HG   ARG  33          2HG       ARG  33  18.800   2.363   5.059
   88   2HG   ARG  33          1HG       ARG  33  19.900   1.103   4.562
   89   1HD   ARG  33          2HD       ARG  33  20.646   3.095   3.472
   90   2HD   ARG  33          1HD       ARG  33  19.896   2.138   2.213
   91    HE   ARG  33           HE       ARG  33  17.797   3.417   2.565
   92   1HH1  ARG  33          1HH2      ARG  33  20.785   4.826   3.644
   93   2HH1  ARG  33          2HH2      ARG  33  20.203   6.427   3.613
   94   1HH2  ARG  33          2HH1      ARG  33  17.001   5.530   2.527
   95   2HH2  ARG  33          1HH1      ARG  33  18.021   6.838   2.940
   96    H    GLN  34           H        GLN  34  17.241  -1.437   4.522
   97    HA   GLN  34           HA       GLN  34  19.054  -2.305   6.423
   98   1HB   GLN  34          2HB       GLN  34  16.470  -2.626   6.355
   99   2HB   GLN  34          1HB       GLN  34  16.763  -4.095   5.441
  100   1HG   GLN  34          2HG       GLN  34  16.637  -4.853   7.723
  101   2HG   GLN  34          1HG       GLN  34  18.365  -4.755   7.442
  102   1HE2  GLN  34          1HE2      GLN  34  16.091  -3.938   9.690
  103   2HE2  GLN  34          2HE2      GLN  34  16.873  -2.602  10.400
  104    H    ARG  35           H        ARG  35  18.222  -4.117   3.500
  105    HA   ARG  35           HA       ARG  35  20.279  -6.119   4.064
  106   1HB   ARG  35          2HB       ARG  35  17.974  -6.577   2.951
  107   2HB   ARG  35          1HB       ARG  35  18.622  -5.823   1.507
  108   1HG   ARG  35          2HG       ARG  35  20.494  -7.520   1.471
  109   2HG   ARG  35          1HG       ARG  35  19.802  -8.311   2.862
  110   1HD   ARG  35          2HD       ARG  35  18.601  -8.031   0.088
  111   2HD   ARG  35          1HD       ARG  35  19.075  -9.543   0.882
  112    HE   ARG  35           HE       ARG  35  17.271  -8.556   2.639
  113   1HH1  ARG  35          1HH2      ARG  35  17.113  -8.978  -0.775
  114   2HH1  ARG  35          2HH2      ARG  35  15.413  -9.173  -0.840
  115   1HH2  ARG  35          2HH1      ARG  35  15.065  -8.791   2.661
  116   2HH2  ARG  35          1HH1      ARG  35  14.199  -9.043   1.206
  117    H    TYR  36           H        TYR  36  21.360  -3.583   3.880
  118    HA   TYR  36           HA       TYR  36  23.146  -3.923   1.572
  119   1HB   TYR  36          2HB       TYR  36  21.335  -2.093   1.076
  120   2HB   TYR  36          1HB       TYR  36  22.058  -1.168   2.386
  121    HD1  TYR  36           HD1      TYR  36  23.195  -3.116  -0.620
  122    HD2  TYR  36           HD2      TYR  36  23.724   0.390   1.749
  123    HE1  TYR  36           HE1      TYR  36  24.937  -2.353  -2.140
  124    HE2  TYR  36           HE2      TYR  36  25.485   1.147   0.209
  125    HH   TYR  36           HH       TYR  36  26.716  -0.846  -2.357
  126   1HT   TYR  36          1HT       TYR  36  24.993  -1.968   2.092
  127   2HT   TYR  36          2HT       TYR  36  25.558  -2.099   3.691
  Start of MODEL    6
    1   1H    ACE  24          1HA       ACE  24   0.852   4.161  -2.485
    2   2H    ACE  24          2HA       ACE  24   1.978   4.852  -3.647
    3   3H    ACE  24          3HA       ACE  24   1.732   5.635  -2.086
    4    H    ALA  24           H        ALA  24   1.633   2.497  -1.438
    5    HA   ALA  24           HA       ALA  24   3.640   2.064   0.253
    6   1HB   ALA  24          1HB       ALA  24   2.031   0.287  -0.393
    7   2HB   ALA  24          2HB       ALA  24   3.665  -0.341  -0.436
    8   3HB   ALA  24          3HB       ALA  24   2.851   0.072  -1.930
    9    H    ARG  25           H        ARG  25   4.195   1.419  -3.089
   10    HA   ARG  25           HA       ARG  25   6.872   0.686  -3.166
   11   1HB   ARG  25          2HB       ARG  25   5.444   2.544  -5.149
   12   2HB   ARG  25          1HB       ARG  25   6.962   1.741  -5.477
   13   1HG   ARG  25          2HG       ARG  25   5.926  -0.487  -5.302
   14   2HG   ARG  25          1HG       ARG  25   4.404   0.204  -4.783
   15   1HD   ARG  25          2HD       ARG  25   4.182   1.345  -7.074
   16   2HD   ARG  25          1HD       ARG  25   5.706   0.580  -7.531
   17    HE   ARG  25           HE       ARG  25   3.476  -1.159  -6.614
   18   1HH1  ARG  25          1HH2      ARG  25   5.356  -0.011  -9.283
   19   2HH1  ARG  25          2HH2      ARG  25   4.902  -1.266 -10.343
   20   1HH2  ARG  25          2HH1      ARG  25   2.840  -2.804  -7.945
   21   2HH2  ARG  25          1HH1      ARG  25   3.379  -2.920  -9.570
   22    H    HIS  26           H        HIS  26   5.661   4.005  -3.084
   23    HA   HIS  26           HA       HIS  26   8.230   5.276  -3.172
   24   1HB   HIS  26          2HB       HIS  26   5.555   6.279  -2.090
   25   2HB   HIS  26          1HB       HIS  26   6.971   7.294  -2.297
   26    HD1  HIS  26           HD1      HIS  26   4.387   5.491  -4.298
   27    HD2  HIS  26           HD2      HIS  26   7.705   7.936  -4.840
   28    HE1  HIS  26           HE1      HIS  26   4.463   6.270  -6.692
   29    H    TYR  27           H        TYR  27   7.040   3.448  -0.820
   30    HA   TYR  27           HA       TYR  27   8.732   4.675   1.314
   31   1HB   TYR  27          2HB       TYR  27   6.005   3.381   1.412
   32   2HB   TYR  27          1HB       TYR  27   7.088   3.146   2.757
   33    HD1  TYR  27           HD1      TYR  27   5.969   6.026   0.568
   34    HD2  TYR  27           HD2      TYR  27   6.872   4.677   4.503
   35    HE1  TYR  27           HE1      TYR  27   5.370   8.229   1.472
   36    HE2  TYR  27           HE2      TYR  27   6.273   6.864   5.394
   37    HH   TYR  27           HH       TYR  27   5.175   8.864   4.899
   38    H    LYS  28           H        LYS  28   9.008   2.620  -0.874
   39    HA   LYS  28           HA       LYS  28   9.601   0.110   0.573
   40   1HB   LYS  28          2HB       LYS  28   8.769  -0.014  -1.751
   41   2HB   LYS  28          1HB       LYS  28  10.147   0.904  -2.329
   42   1HG   LYS  28          2HG       LYS  28  11.674  -0.918  -1.478
   43   2HG   LYS  28          1HG       LYS  28  10.283  -1.847  -0.976
   44   1HD   LYS  28          2HD       LYS  28   9.536  -2.122  -3.253
   45   2HD   LYS  28          1HD       LYS  28  10.659  -0.901  -3.824
   46   1HE   LYS  28          2HE       LYS  28  11.470  -3.597  -2.579
   47   2HE   LYS  28          1HE       LYS  28  11.567  -3.201  -4.295
   48   1HZ   LYS  28          HZ        LYS  28  13.160  -1.343  -3.610
   49    H    ASN  29           H        ASN  29  11.389   2.556  -1.182
   50    HA   ASN  29           HA       ASN  29  14.025   1.970  -1.097
   51   1HB   ASN  29          2HB       ASN  29  13.276   4.226  -1.720
   52   2HB   ASN  29          1HB       ASN  29  12.893   4.608  -0.050
   53   1HD2  ASN  29          1HD2      ASN  29  14.608   5.608   1.096
   54   2HD2  ASN  29          2HD2      ASN  29  16.234   5.556   0.588
   55    H    LEU  30           H        LEU  30  12.526   3.414   1.677
   56    HA   LEU  30           HA       LEU  30  14.467   3.392   3.619
   57   1HB   LEU  30          2HB       LEU  30  11.546   2.606   4.030
   58   2HB   LEU  30          1HB       LEU  30  12.624   3.189   5.278
   59    HG   LEU  30           HG       LEU  30  11.808   4.818   2.795
   60   1HD1  LEU  30          1HD1      LEU  30  10.907   5.009   5.706
   61   2HD1  LEU  30          2HD1      LEU  30   9.922   4.424   4.376
   62   3HD1  LEU  30          3HD1      LEU  30  10.443   6.098   4.409
   63   1HD2  LEU  30          1HD2      LEU  30  13.309   5.615   5.351
   64   2HD2  LEU  30          2HD2      LEU  30  12.876   6.695   4.038
   65   3HD2  LEU  30          3HD2      LEU  30  14.077   5.445   3.783
   66    H    ILE  31           H        ILE  31  12.407   0.716   2.810
   67    HA   ILE  31           HA       ILE  31  13.758  -1.073   4.689
   68    HB   ILE  31           HB       ILE  31  11.645  -1.733   2.555
   69   1HG1  ILE  31          2HG1      ILE  31  11.254  -1.005   5.516
   70   2HG1  ILE  31          1HG1      ILE  31  10.897   0.065   4.182
   71   1HG2  ILE  31          1HG2      ILE  31  12.420  -3.207   5.145
   72   2HG2  ILE  31          2HG2      ILE  31  12.864  -3.733   3.531
   73   3HG2  ILE  31          3HG2      ILE  31  11.183  -3.713   4.010
   74   1HD1  ILE  31          1HD1      ILE  31   8.841  -1.028   4.931
   75   2HD1  ILE  31          2HD1      ILE  31   9.515  -2.612   4.627
   76   3HD1  ILE  31          3HD1      ILE  31   9.218  -1.506   3.290
   77    H    GLU  32           H        GLU  32  13.521  -0.567   1.351
   78    HA   GLU  32           HA       GLU  32  14.964  -2.732   0.316
   79   1HB   GLU  32          2HB       GLU  32  14.093  -0.326  -0.841
   80   2HB   GLU  32          1HB       GLU  32  15.828  -0.093  -0.886
   81   1HG   GLU  32          2HG       GLU  32  15.247  -1.178  -2.995
   82   2HG   GLU  32          1HG       GLU  32  15.943  -2.457  -2.017
   83    H    ARG  33           H        ARG  33  16.028   0.043   1.594
   84    HA   ARG  33           HA       ARG  33  18.866  -0.009   1.436
   85   1HB   ARG  33          2HB       ARG  33  17.181   1.814   2.432
   86   2HB   ARG  33          1HB       ARG  33  17.303   0.911   3.912
   87   1HG   ARG  33          2HG       ARG  33  18.802   2.757   4.124
   88   2HG   ARG  33          1HG       ARG  33  19.786   1.322   3.954
   89   1HD   ARG  33          2HD       ARG  33  20.193   1.854   1.526
   90   2HD   ARG  33          1HD       ARG  33  19.054   3.170   1.633
   91    HE   ARG  33           HE       ARG  33  20.538   4.421   3.025
   92   1HH1  ARG  33          1HH2      ARG  33  21.934   1.448   1.872
   93   2HH1  ARG  33          2HH2      ARG  33  23.544   1.921   2.158
   94   1HH2  ARG  33          2HH1      ARG  33  22.631   5.083   3.430
   95   2HH2  ARG  33          1HH1      ARG  33  23.939   4.045   3.080
   96    H    GLN  34           H        GLN  34  16.845  -1.649   3.634
   97    HA   GLN  34           HA       GLN  34  18.843  -2.639   5.431
   98   1HB   GLN  34          2HB       GLN  34  16.159  -3.914   4.706
   99   2HB   GLN  34          1HB       GLN  34  17.108  -4.233   6.151
  100   1HG   GLN  34          2HG       GLN  34  16.781  -1.888   6.916
  101   2HG   GLN  34          1HG       GLN  34  15.954  -1.481   5.424
  102   1HE2  GLN  34          1HE2      GLN  34  15.282  -4.609   7.051
  103   2HE2  GLN  34          2HE2      GLN  34  13.723  -4.131   7.528
  104    H    ARG  35           H        ARG  35  18.062  -3.595   2.196
  105    HA   ARG  35           HA       ARG  35  19.247  -6.257   2.587
  106   1HB   ARG  35          2HB       ARG  35  17.244  -6.019   1.185
  107   2HB   ARG  35          1HB       ARG  35  18.064  -4.869   0.148
  108   1HG   ARG  35          2HG       ARG  35  19.393  -6.470  -0.892
  109   2HG   ARG  35          1HG       ARG  35  19.329  -7.600   0.440
  110   1HD   ARG  35          2HD       ARG  35  16.970  -6.895  -1.355
  111   2HD   ARG  35          1HD       ARG  35  17.959  -8.295  -1.640
  112    HE   ARG  35           HE       ARG  35  16.062  -7.834   0.588
  113   1HH1  ARG  35          1HH2      ARG  35  18.594  -9.731  -0.718
  114   2HH1  ARG  35          2HH2      ARG  35  18.216 -11.177   0.121
  115   1HH2  ARG  35          2HH1      ARG  35  15.492  -9.666   1.791
  116   2HH2  ARG  35          1HH1      ARG  35  16.383 -11.127   1.653
  117    H    TYR  36           H        TYR  36  20.946  -3.906   2.968
  118    HA   TYR  36           HA       TYR  36  22.778  -4.122   0.663
  119   1HB   TYR  36          2HB       TYR  36  22.074  -1.897   2.034
  120   2HB   TYR  36          1HB       TYR  36  23.358  -2.415   3.109
  121    HD1  TYR  36           HD1      TYR  36  22.690  -2.063  -0.546
  122    HD2  TYR  36           HD2      TYR  36  25.568  -1.615   2.563
  123    HE1  TYR  36           HE1      TYR  36  24.289  -1.157  -2.161
  124    HE2  TYR  36           HE2      TYR  36  27.164  -0.708   0.936
  125    HH   TYR  36           HH       TYR  36  27.011  -1.064  -2.208
  126   1HT   TYR  36          1HT       TYR  36  25.252  -4.400   1.415
  127   2HT   TYR  36          2HT       TYR  36  25.501  -5.589   2.615
  Start of MODEL    7
    1   1H    ACE  24          1HA       ACE  24   1.301  -0.927  -1.135
    2   2H    ACE  24          2HA       ACE  24   1.156  -0.347  -2.798
    3   3H    ACE  24          3HA       ACE  24  -0.132  -0.029  -1.637
    4    H    ALA  24           H        ALA  24   2.587   0.310   0.118
    5    HA   ALA  24           HA       ALA  24   2.476   3.256  -0.011
    6   1HB   ALA  24          1HB       ALA  24   3.937   3.099   1.994
    7   2HB   ALA  24          2HB       ALA  24   4.067   1.365   1.779
    8   3HB   ALA  24          3HB       ALA  24   2.509   2.090   2.175
    9    H    ARG  25           H        ARG  25   3.278   2.511  -2.284
   10    HA   ARG  25           HA       ARG  25   5.546   1.876  -3.395
   11   1HB   ARG  25          2HB       ARG  25   3.928   3.151  -4.644
   12   2HB   ARG  25          1HB       ARG  25   4.233   4.607  -3.720
   13   1HG   ARG  25          2HG       ARG  25   6.634   4.606  -4.689
   14   2HG   ARG  25          1HG       ARG  25   6.155   3.262  -5.701
   15   1HD   ARG  25          2HD       ARG  25   4.731   5.971  -5.648
   16   2HD   ARG  25          1HD       ARG  25   5.997   5.541  -6.783
   17    HE   ARG  25           HE       ARG  25   3.491   3.915  -6.483
   18   1HH1  ARG  25          1HH2      ARG  25   5.692   5.639  -8.551
   19   2HH1  ARG  25          2HH2      ARG  25   4.916   5.157  -9.997
   20   1HH2  ARG  25          2HH1      ARG  25   2.475   3.252  -8.356
   21   2HH2  ARG  25          1HH1      ARG  25   3.057   3.760  -9.876
   22    H    HIS  26           H        HIS  26   5.618   5.192  -2.315
   23    HA   HIS  26           HA       HIS  26   8.384   5.574  -2.437
   24   1HB   HIS  26          2HB       HIS  26   6.298   6.976  -0.688
   25   2HB   HIS  26          1HB       HIS  26   7.903   7.609  -1.033
   26    HD1  HIS  26           HD1      HIS  26   8.426   7.645  -3.740
   27    HD2  HIS  26           HD2      HIS  26   4.446   7.673  -2.536
   28    HE1  HIS  26           HE1      HIS  26   7.013   8.445  -5.635
   29    H    TYR  27           H        TYR  27   7.228   3.400  -0.370
   30    HA   TYR  27           HA       TYR  27   9.373   3.976   1.600
   31   1HB   TYR  27          2HB       TYR  27   6.579   2.857   1.852
   32   2HB   TYR  27          1HB       TYR  27   7.755   2.082   2.880
   33    HD1  TYR  27           HD1      TYR  27   9.331   3.811   4.226
   34    HD2  TYR  27           HD2      TYR  27   5.470   4.781   2.707
   35    HE1  TYR  27           HE1      TYR  27   9.164   5.649   5.826
   36    HE2  TYR  27           HE2      TYR  27   5.312   6.622   4.318
   37    HH   TYR  27           HH       TYR  27   7.733   7.205   6.791
   38    H    LYS  28           H        LYS  28   8.794   2.236  -0.922
   39    HA   LYS  28           HA       LYS  28   9.718  -0.436  -0.259
   40   1HB   LYS  28          2HB       LYS  28   8.708   0.153  -2.495
   41   2HB   LYS  28          1HB       LYS  28  10.184   0.987  -2.931
   42   1HG   LYS  28          2HG       LYS  28  11.016  -1.606  -1.938
   43   2HG   LYS  28          1HG       LYS  28   9.600  -1.898  -2.918
   44   1HD   LYS  28          2HD       LYS  28  10.542  -0.794  -4.807
   45   2HD   LYS  28          1HD       LYS  28  11.948  -0.252  -3.906
   46   1HE   LYS  28          2HE       LYS  28  11.241  -3.175  -4.470
   47   2HE   LYS  28          1HE       LYS  28  12.553  -2.271  -5.218
   48   1HZ   LYS  28          HZ        LYS  28  12.388  -2.899  -2.301
   49    H    ASN  29           H        ASN  29  11.426   2.211  -1.787
   50    HA   ASN  29           HA       ASN  29  14.025   1.519  -1.869
   51   1HB   ASN  29          2HB       ASN  29  12.827   4.133  -0.891
   52   2HB   ASN  29          1HB       ASN  29  14.563   3.966  -1.077
   53   1HD2  ASN  29          1HD2      ASN  29  15.392   4.105  -3.193
   54   2HD2  ASN  29          2HD2      ASN  29  14.396   4.264  -4.563
   55    H    LEU  30           H        LEU  30  12.534   2.713   1.070
   56    HA   LEU  30           HA       LEU  30  14.757   2.495   2.796
   57   1HB   LEU  30          2HB       LEU  30  11.770   2.334   3.337
   58   2HB   LEU  30          1HB       LEU  30  12.940   2.210   4.628
   59    HG   LEU  30           HG       LEU  30  12.067   4.539   4.334
   60   1HD1  LEU  30          1HD1      LEU  30  14.263   5.670   4.457
   61   2HD1  LEU  30          2HD1      LEU  30  15.078   4.267   3.801
   62   3HD1  LEU  30          3HD1      LEU  30  14.298   4.176   5.370
   63   1HD2  LEU  30          1HD2      LEU  30  11.837   4.564   1.851
   64   2HD2  LEU  30          2HD2      LEU  30  13.590   4.506   1.677
   65   3HD2  LEU  30          3HD2      LEU  30  12.825   5.897   2.406
   66    H    ILE  31           H        ILE  31  12.211   0.133   2.120
   67    HA   ILE  31           HA       ILE  31  13.189  -1.870   3.892
   68    HB   ILE  31           HB       ILE  31  11.827  -2.337   1.178
   69   1HG1  ILE  31          2HG1      ILE  31  10.385  -0.797   2.395
   70   2HG1  ILE  31          1HG1      ILE  31   9.643  -2.374   2.433
   71   1HG2  ILE  31          1HG2      ILE  31  10.969  -4.432   2.239
   72   2HG2  ILE  31          2HG2      ILE  31  11.857  -4.058   3.708
   73   3HG2  ILE  31          3HG2      ILE  31  12.722  -4.415   2.230
   74   1HD1  ILE  31          1HD1      ILE  31  11.231  -1.127   4.722
   75   2HD1  ILE  31          2HD1      ILE  31  10.526  -2.737   4.750
   76   3HD1  ILE  31          3HD1      ILE  31   9.489  -1.325   4.649
   77    H    GLU  32           H        GLU  32  13.923  -0.959   0.735
   78    HA   GLU  32           HA       GLU  32  15.987  -3.059   0.383
   79   1HB   GLU  32          2HB       GLU  32  14.787  -0.942  -1.418
   80   2HB   GLU  32          1HB       GLU  32  16.356  -1.577  -1.861
   81   1HG   GLU  32          2HG       GLU  32  15.531  -3.802  -2.127
   82   2HG   GLU  32          1HG       GLU  32  14.045  -3.460  -1.246
   83    H    ARG  33           H        ARG  33  16.028  -0.449   2.093
   84    HA   ARG  33           HA       ARG  33  18.768   0.436   1.314
   85   1HB   ARG  33          2HB       ARG  33  16.979   2.220   1.754
   86   2HB   ARG  33          1HB       ARG  33  16.860   1.649   3.401
   87   1HG   ARG  33          2HG       ARG  33  18.326   3.548   3.514
   88   2HG   ARG  33          1HG       ARG  33  19.355   2.153   3.701
   89   1HD   ARG  33          2HD       ARG  33  19.604   2.385   1.019
   90   2HD   ARG  33          1HD       ARG  33  19.088   4.024   1.335
   91    HE   ARG  33           HE       ARG  33  21.462   2.682   2.592
   92   1HH1  ARG  33          1HH2      ARG  33  19.945   5.600   1.429
   93   2HH1  ARG  33          2HH2      ARG  33  21.317   6.576   1.722
   94   1HH2  ARG  33          2HH1      ARG  33  23.257   3.958   2.976
   95   2HH2  ARG  33          1HH1      ARG  33  23.243   5.629   2.619
   96    H    GLN  34           H        GLN  34  16.956  -1.124   3.765
   97    HA   GLN  34           HA       GLN  34  19.303  -1.339   5.594
   98   1HB   GLN  34          2HB       GLN  34  16.553  -1.181   6.082
   99   2HB   GLN  34          1HB       GLN  34  16.834  -2.892   6.306
  100   1HG   GLN  34          2HG       GLN  34  18.268  -0.627   7.780
  101   2HG   GLN  34          1HG       GLN  34  17.032  -1.646   8.470
  102   1HE2  GLN  34          1HE2      GLN  34  17.783  -3.617   9.483
  103   2HE2  GLN  34          2HE2      GLN  34  19.405  -4.121   9.365
  104    H    ARG  35           H        ARG  35  17.580  -3.363   3.324
  105    HA   ARG  35           HA       ARG  35  19.038  -5.726   4.258
  106   1HB   ARG  35          2HB       ARG  35  16.670  -6.006   3.705
  107   2HB   ARG  35          1HB       ARG  35  16.908  -5.346   2.112
  108   1HG   ARG  35          2HG       ARG  35  16.563  -7.741   1.911
  109   2HG   ARG  35          1HG       ARG  35  18.215  -7.411   1.475
  110   1HD   ARG  35          2HD       ARG  35  17.544  -8.290   4.338
  111   2HD   ARG  35          1HD       ARG  35  17.753  -9.454   3.020
  112    HE   ARG  35           HE       ARG  35  19.844  -7.411   3.393
  113   1HH1  ARG  35          1HH2      ARG  35  19.000 -10.727   3.787
  114   2HH1  ARG  35          2HH2      ARG  35  20.626 -11.248   3.931
  115   1HH2  ARG  35          2HH1      ARG  35  21.878  -7.958   3.526
  116   2HH2  ARG  35          1HH1      ARG  35  22.350  -9.576   3.812
  117    H    TYR  36           H        TYR  36  19.299  -3.573   1.656
  118    HA   TYR  36           HA       TYR  36  21.354  -5.314   0.406
  119   1HB   TYR  36          2HB       TYR  36  20.033  -2.860  -0.860
  120   2HB   TYR  36          1HB       TYR  36  21.059  -4.035  -1.647
  121    HD1  TYR  36           HD1      TYR  36  17.899  -4.107   0.422
  122    HD2  TYR  36           HD2      TYR  36  19.948  -5.591  -3.001
  123    HE1  TYR  36           HE1      TYR  36  15.941  -5.440  -0.169
  124    HE2  TYR  36           HE2      TYR  36  17.983  -6.905  -3.591
  125    HH   TYR  36           HH       TYR  36  15.876  -7.506  -3.026
  126   1HT   TYR  36          1HT       TYR  36  23.361  -4.069  -0.449
  127   2HT   TYR  36          2HT       TYR  36  23.885  -2.763   0.503
  Start of MODEL    8
    1   1H    ACE  24          1HA       ACE  24   1.101  -1.207  -3.198
    2   2H    ACE  24          2HA       ACE  24   2.283  -1.962  -2.134
    3   3H    ACE  24          3HA       ACE  24   2.662  -1.724  -3.845
    4    H    ALA  24           H        ALA  24   3.251  -0.478  -0.832
    5    HA   ALA  24           HA       ALA  24   3.209   2.368  -1.575
    6   1HB   ALA  24          1HB       ALA  24   2.774   1.654   0.768
    7   2HB   ALA  24          2HB       ALA  24   4.187   2.691   0.695
    8   3HB   ALA  24          3HB       ALA  24   4.387   0.961   0.858
    9    H    ARG  25           H        ARG  25   4.588   1.348  -3.464
   10    HA   ARG  25           HA       ARG  25   7.259   0.759  -3.466
   11   1HB   ARG  25          2HB       ARG  25   7.442   2.019  -5.623
   12   2HB   ARG  25          1HB       ARG  25   6.059   0.950  -5.550
   13   1HG   ARG  25          2HG       ARG  25   4.570   2.919  -5.008
   14   2HG   ARG  25          1HG       ARG  25   5.947   3.999  -5.144
   15   1HD   ARG  25          2HD       ARG  25   4.933   2.239  -7.408
   16   2HD   ARG  25          1HD       ARG  25   4.615   3.948  -7.224
   17    HE   ARG  25           HE       ARG  25   7.374   2.768  -7.465
   18   1HH1  ARG  25          1HH2      ARG  25   5.134   5.306  -8.263
   19   2HH1  ARG  25          2HH2      ARG  25   6.256   6.192  -9.196
   20   1HH2  ARG  25          2HH1      ARG  25   8.863   3.912  -8.679
   21   2HH2  ARG  25          1HH1      ARG  25   8.412   5.372  -9.434
   22    H    HIS  26           H        HIS  26   6.046   4.047  -3.241
   23    HA   HIS  26           HA       HIS  26   8.577   5.337  -3.127
   24   1HB   HIS  26          2HB       HIS  26   7.181   7.259  -2.110
   25   2HB   HIS  26          1HB       HIS  26   6.620   6.668  -3.659
   26    HD1  HIS  26           HD1      HIS  26   4.309   7.691  -2.836
   27    HD2  HIS  26           HD2      HIS  26   5.595   4.341  -0.739
   28    HE1  HIS  26           HE1      HIS  26   2.399   6.728  -1.564
   29    H    TYR  27           H        TYR  27   7.266   3.453  -0.839
   30    HA   TYR  27           HA       TYR  27   9.027   4.585   1.279
   31   1HB   TYR  27          2HB       TYR  27   6.262   3.319   1.438
   32   2HB   TYR  27          1HB       TYR  27   7.366   3.272   2.785
   33    HD1  TYR  27           HD1      TYR  27   8.574   5.731   3.166
   34    HD2  TYR  27           HD2      TYR  27   4.688   5.158   1.513
   35    HE1  TYR  27           HE1      TYR  27   7.974   8.007   3.784
   36    HE2  TYR  27           HE2      TYR  27   4.101   7.448   2.140
   37    HH   TYR  27           HH       TYR  27   5.203   9.144   4.208
   38    H    LYS  28           H        LYS  28   9.099   2.522  -0.914
   39    HA   LYS  28           HA       LYS  28   9.584  -0.042   0.398
   40   1HB   LYS  28          2HB       LYS  28   8.943   0.231  -2.071
   41   2HB   LYS  28          1HB       LYS  28  10.538   0.883  -2.373
   42   1HG   LYS  28          2HG       LYS  28  11.472  -1.278  -1.374
   43   2HG   LYS  28          1HG       LYS  28   9.846  -1.919  -1.352
   44   1HD   LYS  28          2HD       LYS  28   9.658  -1.759  -3.772
   45   2HD   LYS  28          1HD       LYS  28  11.148  -0.842  -3.882
   46   1HE   LYS  28          2HE       LYS  28  10.786  -3.831  -3.293
   47   2HE   LYS  28          1HE       LYS  28  11.810  -3.072  -4.503
   48   1HZ   LYS  28          HZ        LYS  28  12.328  -3.025  -1.580
   49    H    ASN  29           H        ASN  29  11.562   2.481  -1.046
   50    HA   ASN  29           HA       ASN  29  14.173   1.835  -0.673
   51   1HB   ASN  29          2HB       ASN  29  13.695   4.127  -1.310
   52   2HB   ASN  29          1HB       ASN  29  12.838   4.458   0.185
   53   1HD2  ASN  29          1HD2      ASN  29  14.173   5.912   1.402
   54   2HD2  ASN  29          2HD2      ASN  29  15.851   5.721   1.552
   55    H    LEU  30           H        LEU  30  12.580   3.410   1.972
   56    HA   LEU  30           HA       LEU  30  14.179   3.207   4.103
   57   1HB   LEU  30          2HB       LEU  30  11.250   2.351   4.202
   58   2HB   LEU  30          1HB       LEU  30  12.200   2.884   5.569
   59    HG   LEU  30           HG       LEU  30  11.442   4.620   3.160
   60   1HD1  LEU  30          1HD1      LEU  30   9.550   4.118   4.695
   61   2HD1  LEU  30          2HD1      LEU  30  10.034   5.799   4.850
   62   3HD1  LEU  30          3HD1      LEU  30  10.510   4.635   6.065
   63   1HD2  LEU  30          1HD2      LEU  30  13.674   5.292   4.166
   64   2HD2  LEU  30          2HD2      LEU  30  12.913   5.367   5.747
   65   3HD2  LEU  30          3HD2      LEU  30  12.429   6.483   4.485
   66    H    ILE  31           H        ILE  31  12.228   0.510   3.057
   67    HA   ILE  31           HA       ILE  31  13.617  -1.268   4.975
   68    HB   ILE  31           HB       ILE  31  11.338  -2.063   3.100
   69   1HG1  ILE  31          2HG1      ILE  31  11.069  -0.823   5.900
   70   2HG1  ILE  31          1HG1      ILE  31  10.587  -0.051   4.400
   71   1HG2  ILE  31          1HG2      ILE  31  12.571  -3.896   4.293
   72   2HG2  ILE  31          2HG2      ILE  31  10.930  -3.796   4.872
   73   3HG2  ILE  31          3HG2      ILE  31  12.240  -3.133   5.834
   74   1HD1  ILE  31          1HD1      ILE  31   8.614  -1.033   5.477
   75   2HD1  ILE  31          2HD1      ILE  31   9.361  -2.614   5.495
   76   3HD1  ILE  31          3HD1      ILE  31   8.944  -1.859   3.966
   77    H    GLU  32           H        GLU  32  13.508  -0.591   1.674
   78    HA   GLU  32           HA       GLU  32  14.900  -3.147   1.024
   79   1HB   GLU  32          2HB       GLU  32  13.108  -2.140  -0.411
   80   2HB   GLU  32          1HB       GLU  32  14.218  -0.878  -0.879
   81   1HG   GLU  32          2HG       GLU  32  15.736  -2.431  -2.022
   82   2HG   GLU  32          1HG       GLU  32  14.922  -3.837  -1.345
   83    H    ARG  33           H        ARG  33  15.753  -0.356   2.181
   84    HA   ARG  33           HA       ARG  33  18.274   0.076   0.726
   85   1HB   ARG  33          2HB       ARG  33  16.884   1.906   1.881
   86   2HB   ARG  33          1HB       ARG  33  17.312   1.217   3.436
   87   1HG   ARG  33          2HG       ARG  33  19.672   1.744   3.074
   88   2HG   ARG  33          1HG       ARG  33  19.362   2.182   1.397
   89   1HD   ARG  33          2HD       ARG  33  17.789   4.007   2.259
   90   2HD   ARG  33          1HD       ARG  33  18.348   3.621   3.878
   91    HE   ARG  33           HE       ARG  33  20.248   4.357   1.682
   92   1HH1  ARG  33          1HH2      ARG  33  19.026   4.936   4.863
   93   2HH1  ARG  33          2HH2      ARG  33  20.196   6.127   5.256
   94   1HH2  ARG  33          2HH1      ARG  33  21.815   5.866   2.149
   95   2HH2  ARG  33          1HH1      ARG  33  21.825   6.657   3.665
   96    H    GLN  34           H        GLN  34  17.150  -1.038   3.795
   97    HA   GLN  34           HA       GLN  34  19.518  -1.989   5.002
   98   1HB   GLN  34          2HB       GLN  34  16.714  -3.245   5.042
   99   2HB   GLN  34          1HB       GLN  34  18.034  -3.856   6.021
  100   1HG   GLN  34          2HG       GLN  34  18.216  -1.576   7.111
  101   2HG   GLN  34          1HG       GLN  34  16.812  -1.045   6.187
  102   1HE2  GLN  34          1HE2      GLN  34  17.575  -2.151   9.209
  103   2HE2  GLN  34          2HE2      GLN  34  16.108  -2.939   9.561
  104    H    ARG  35           H        ARG  35  17.526  -3.654   2.557
  105    HA   ARG  35           HA       ARG  35  19.363  -5.918   2.453
  106   1HB   ARG  35          2HB       ARG  35  17.032  -5.066   0.684
  107   2HB   ARG  35          1HB       ARG  35  18.095  -6.351   0.180
  108   1HG   ARG  35          2HG       ARG  35  17.564  -7.617   2.298
  109   2HG   ARG  35          1HG       ARG  35  16.386  -6.380   2.704
  110   1HD   ARG  35          2HD       ARG  35  15.078  -6.847   0.689
  111   2HD   ARG  35          1HD       ARG  35  16.352  -7.830   0.006
  112    HE   ARG  35           HE       ARG  35  14.803  -8.594   2.466
  113   1HH1  ARG  35          1HH2      ARG  35  16.196  -9.501  -0.603
  114   2HH1  ARG  35          2HH2      ARG  35  15.670 -11.120  -0.519
  115   1HH2  ARG  35          2HH1      ARG  35  14.164 -10.709   2.631
  116   2HH2  ARG  35          1HH1      ARG  35  14.496 -11.844   1.398
  117    H    TYR  36           H        TYR  36  20.591  -3.252   1.959
  118    HA   TYR  36           HA       TYR  36  21.536  -3.628  -0.823
  119   1HB   TYR  36          2HB       TYR  36  20.826  -1.304  -0.382
  120   2HB   TYR  36          1HB       TYR  36  21.825  -1.218   1.058
  121    HD1  TYR  36           HD1      TYR  36  22.183  -2.123  -2.588
  122    HD2  TYR  36           HD2      TYR  36  23.960  -0.234   0.794
  123    HE1  TYR  36           HE1      TYR  36  24.105  -1.470  -3.953
  124    HE2  TYR  36           HE2      TYR  36  25.878   0.415  -0.584
  125    HH   TYR  36           HH       TYR  36  26.656  -0.930  -3.406
  126   1HT   TYR  36          1HT       TYR  36  22.887  -2.846   2.406
  127   2HT   TYR  36          2HT       TYR  36  24.352  -3.680   2.141
  Start of MODEL    9
    1   1H    ACE  24          1HA       ACE  24   0.287   0.071  -2.988
    2   2H    ACE  24          2HA       ACE  24   1.413  -0.902  -2.045
    3   3H    ACE  24          3HA       ACE  24   1.794  -0.488  -3.709
    4    H    ALA  24           H        ALA  24   2.627   0.298  -0.646
    5    HA   ALA  24           HA       ALA  24   2.788   3.220  -0.968
    6   1HB   ALA  24          1HB       ALA  24   2.358   2.210   1.265
    7   2HB   ALA  24          2HB       ALA  24   3.852   3.132   1.264
    8   3HB   ALA  24          3HB       ALA  24   3.913   1.383   1.187
    9    H    ARG  25           H        ARG  25   3.945   2.294  -3.037
   10    HA   ARG  25           HA       ARG  25   6.502   1.422  -3.364
   11   1HB   ARG  25          2HB       ARG  25   5.294   3.903  -4.701
   12   2HB   ARG  25          1HB       ARG  25   6.722   3.060  -5.278
   13   1HG   ARG  25          2HG       ARG  25   5.426   0.964  -5.532
   14   2HG   ARG  25          1HG       ARG  25   3.989   1.751  -4.909
   15   1HD   ARG  25          2HD       ARG  25   3.817   3.201  -6.810
   16   2HD   ARG  25          1HD       ARG  25   5.390   2.754  -7.432
   17    HE   ARG  25           HE       ARG  25   2.986   0.978  -7.198
   18   1HH1  ARG  25          1HH2      ARG  25   6.067   1.638  -8.652
   19   2HH1  ARG  25          2HH2      ARG  25   5.981   0.363  -9.781
   20   1HH2  ARG  25          2HH1      ARG  25   2.817  -0.695  -8.660
   21   2HH2  ARG  25          1HH1      ARG  25   4.055  -0.979  -9.806
   22    H    HIS  26           H        HIS  26   5.823   4.748  -2.561
   23    HA   HIS  26           HA       HIS  26   8.384   5.797  -2.400
   24   1HB   HIS  26          2HB       HIS  26   7.261   7.325  -0.524
   25   2HB   HIS  26          1HB       HIS  26   6.617   7.398  -2.151
   26    HD1  HIS  26           HD1      HIS  26   4.243   6.462  -2.482
   27    HD2  HIS  26           HD2      HIS  26   5.731   5.897   1.359
   28    HE1  HIS  26           HE1      HIS  26   2.405   5.662  -1.002
   29    H    TYR  27           H        TYR  27   6.942   3.764  -0.263
   30    HA   TYR  27           HA       TYR  27   9.133   4.018   1.759
   31   1HB   TYR  27          2HB       TYR  27   6.281   3.078   1.852
   32   2HB   TYR  27          1HB       TYR  27   7.409   2.439   3.022
   33    HD1  TYR  27           HD1      TYR  27   5.557   3.552   4.504
   34    HD2  TYR  27           HD2      TYR  27   8.334   5.870   2.223
   35    HE1  TYR  27           HE1      TYR  27   5.143   5.494   5.929
   36    HE2  TYR  27           HE2      TYR  27   7.902   7.777   3.659
   37    HH   TYR  27           HH       TYR  27   6.673   7.700   6.566
   38    H    LYS  28           H        LYS  28   9.033   2.420  -0.788
   39    HA   LYS  28           HA       LYS  28   9.567  -0.340   0.218
   40   1HB   LYS  28          2HB       LYS  28   8.578   0.546  -2.227
   41   2HB   LYS  28          1HB       LYS  28  10.269   0.349  -2.642
   42   1HG   LYS  28          2HG       LYS  28  10.025  -1.998  -1.453
   43   2HG   LYS  28          1HG       LYS  28   8.319  -1.720  -1.612
   44   1HD   LYS  28          2HD       LYS  28   9.012  -3.014  -3.495
   45   2HD   LYS  28          1HD       LYS  28   8.601  -1.416  -4.087
   46   1HE   LYS  28          2HE       LYS  28  10.819  -2.470  -4.930
   47   2HE   LYS  28          1HE       LYS  28  10.935  -0.806  -4.367
   48   1HZ   LYS  28          HZ        LYS  28  11.608  -3.204  -2.680
   49    H    ASN  29           H        ASN  29  11.121   2.194  -1.548
   50    HA   ASN  29           HA       ASN  29  13.771   1.568  -1.802
   51   1HB   ASN  29          2HB       ASN  29  12.673   3.713  -2.458
   52   2HB   ASN  29          1HB       ASN  29  12.749   4.262  -0.802
   53   1HD2  ASN  29          1HD2      ASN  29  15.679   2.733  -0.944
   54   2HD2  ASN  29          2HD2      ASN  29  16.579   4.000  -1.633
   55    H    LEU  30           H        LEU  30  12.270   2.721   1.085
   56    HA   LEU  30           HA       LEU  30  14.532   2.919   2.822
   57   1HB   LEU  30          2HB       LEU  30  11.663   2.257   3.648
   58   2HB   LEU  30          1HB       LEU  30  12.894   3.011   4.632
   59    HG   LEU  30           HG       LEU  30  11.699   4.312   2.118
   60   1HD1  LEU  30          1HD1      LEU  30  10.439   5.721   3.715
   61   2HD1  LEU  30          2HD1      LEU  30  11.085   4.814   5.064
   62   3HD1  LEU  30          3HD1      LEU  30  10.002   4.038   3.928
   63   1HD2  LEU  30          1HD2      LEU  30  13.436   5.456   4.349
   64   2HD2  LEU  30          2HD2      LEU  30  12.785   6.360   2.996
   65   3HD2  LEU  30          3HD2      LEU  30  13.989   5.119   2.718
   66    H    ILE  31           H        ILE  31  12.116   0.395   2.480
   67    HA   ILE  31           HA       ILE  31  13.460  -1.449   4.276
   68    HB   ILE  31           HB       ILE  31  11.301  -1.969   2.141
   69   1HG1  ILE  31          2HG1      ILE  31  11.102  -1.276   5.121
   70   2HG1  ILE  31          1HG1      ILE  31  10.599  -0.244   3.799
   71   1HG2  ILE  31          1HG2      ILE  31  10.784  -4.018   3.489
   72   2HG2  ILE  31          2HG2      ILE  31  12.089  -3.634   4.600
   73   3HG2  ILE  31          3HG2      ILE  31  12.438  -4.072   2.939
   74   1HD1  ILE  31          1HD1      ILE  31   9.325  -2.908   4.526
   75   2HD1  ILE  31          2HD1      ILE  31   8.866  -1.920   3.142
   76   3HD1  ILE  31          3HD1      ILE  31   8.640  -1.314   4.773
   77    H    GLU  32           H        GLU  32  13.830  -0.466   1.127
   78    HA   GLU  32           HA       GLU  32  15.357  -2.881   0.273
   79   1HB   GLU  32          2HB       GLU  32  14.564  -0.315  -1.172
   80   2HB   GLU  32          1HB       GLU  32  15.502  -1.590  -1.921
   81   1HG   GLU  32          2HG       GLU  32  13.717  -3.158  -1.794
   82   2HG   GLU  32          1HG       GLU  32  12.863  -2.248  -0.562
   83    H    ARG  33           H        ARG  33  16.000  -0.568   2.237
   84    HA   ARG  33           HA       ARG  33  18.715   0.116   1.194
   85   1HB   ARG  33          2HB       ARG  33  17.229   1.981   2.033
   86   2HB   ARG  33          1HB       ARG  33  17.097   1.202   3.582
   87   1HG   ARG  33          2HG       ARG  33  18.652   2.936   3.901
   88   2HG   ARG  33          1HG       ARG  33  19.572   1.459   3.905
   89   1HD   ARG  33          2HD       ARG  33  20.737   1.994   1.968
   90   2HD   ARG  33          1HD       ARG  33  19.356   2.761   1.224
   91    HE   ARG  33           HE       ARG  33  19.675   4.732   2.593
   92   1HH1  ARG  33          1HH2      ARG  33  22.332   2.548   2.622
   93   2HH1  ARG  33          2HH2      ARG  33  23.474   3.699   3.169
   94   1HH2  ARG  33          2HH1      ARG  33  21.073   6.287   3.259
   95   2HH2  ARG  33          1HH1      ARG  33  22.719   5.931   3.530
   96    H    GLN  34           H        GLN  34  17.182  -0.731   4.169
   97    HA   GLN  34           HA       GLN  34  19.144  -1.696   5.790
   98   1HB   GLN  34          2HB       GLN  34  16.427  -2.978   5.270
   99   2HB   GLN  34          1HB       GLN  34  17.502  -3.593   6.515
  100   1HG   GLN  34          2HG       GLN  34  17.553  -1.329   7.590
  101   2HG   GLN  34          1HG       GLN  34  16.442  -0.730   6.375
  102   1HE2  GLN  34          1HE2      GLN  34  15.245  -3.802   6.852
  103   2HE2  GLN  34          2HE2      GLN  34  14.218  -3.437   8.152
  104    H    ARG  35           H        ARG  35  17.700  -3.888   3.377
  105    HA   ARG  35           HA       ARG  35  19.921  -5.753   3.833
  106   1HB   ARG  35          2HB       ARG  35  17.141  -6.005   3.080
  107   2HB   ARG  35          1HB       ARG  35  18.075  -6.601   1.727
  108   1HG   ARG  35          2HG       ARG  35  19.237  -8.214   3.102
  109   2HG   ARG  35          1HG       ARG  35  18.633  -7.500   4.579
  110   1HD   ARG  35          2HD       ARG  35  17.392  -9.523   4.109
  111   2HD   ARG  35          1HD       ARG  35  16.292  -8.176   3.969
  112    HE   ARG  35           HE       ARG  35  16.714  -8.276   1.460
  113   1HH1  ARG  35          1HH2      ARG  35  17.007 -11.107   3.459
  114   2HH1  ARG  35          2HH2      ARG  35  16.652 -12.214   2.213
  115   1HH2  ARG  35          2HH1      ARG  35  16.273  -9.743  -0.224
  116   2HH2  ARG  35          1HH1      ARG  35  16.217 -11.425   0.077
  117    H    TYR  36           H        TYR  36  20.786  -3.391   2.665
  118    HA   TYR  36           HA       TYR  36  21.647  -4.328  -0.012
  119   1HB   TYR  36          2HB       TYR  36  19.973  -2.250   0.231
  120   2HB   TYR  36          1HB       TYR  36  21.432  -1.377   0.660
  121    HD1  TYR  36           HD1      TYR  36  23.531  -2.066  -1.107
  122    HD2  TYR  36           HD2      TYR  36  19.365  -2.055  -1.978
  123    HE1  TYR  36           HE1      TYR  36  24.026  -1.830  -3.476
  124    HE2  TYR  36           HE2      TYR  36  19.874  -1.813  -4.360
  125    HH   TYR  36           HH       TYR  36  22.475  -0.732  -5.556
  126   1HT   TYR  36          1HT       TYR  36  23.338  -5.213   1.766
  127   2HT   TYR  36          2HT       TYR  36  24.679  -4.193   2.013
  Start of MODEL   10
    1   1H    ACE  24          1HA       ACE  24   1.746   5.149  -2.531
    2   2H    ACE  24          2HA       ACE  24   1.764   5.868  -0.925
    3   3H    ACE  24          3HA       ACE  24   0.851   4.389  -1.214
    4    H    ALA  24           H        ALA  24   1.820   2.684  -0.420
    5    HA   ALA  24           HA       ALA  24   4.083   2.250   0.896
    6   1HB   ALA  24          1HB       ALA  24   4.123  -0.099   0.103
    7   2HB   ALA  24          2HB       ALA  24   3.057   0.317  -1.225
    8   3HB   ALA  24          3HB       ALA  24   2.483   0.434   0.435
    9    H    ARG  25           H        ARG  25   4.122   2.120  -2.541
   10    HA   ARG  25           HA       ARG  25   6.725   1.276  -3.117
   11   1HB   ARG  25          2HB       ARG  25   5.281   3.564  -4.534
   12   2HB   ARG  25          1HB       ARG  25   6.595   2.612  -5.189
   13   1HG   ARG  25          2HG       ARG  25   5.307   0.598  -5.234
   14   2HG   ARG  25          1HG       ARG  25   4.018   1.260  -4.261
   15   1HD   ARG  25          2HD       ARG  25   3.627   2.958  -6.215
   16   2HD   ARG  25          1HD       ARG  25   4.776   1.990  -7.097
   17    HE   ARG  25           HE       ARG  25   3.344   0.124  -7.077
   18   1HH1  ARG  25          1HH2      ARG  25   1.962   2.835  -5.459
   19   2HH1  ARG  25          2HH2      ARG  25   0.349   2.249  -5.515
   20   1HH2  ARG  25          2HH1      ARG  25   1.295  -0.712  -7.169
   21   2HH2  ARG  25          1HH1      ARG  25  -0.033   0.140  -6.510
   22    H    HIS  26           H        HIS  26   5.706   4.553  -2.349
   23    HA   HIS  26           HA       HIS  26   8.295   5.731  -2.570
   24   1HB   HIS  26          2HB       HIS  26   5.881   6.514  -0.838
   25   2HB   HIS  26          1HB       HIS  26   7.264   7.564  -1.111
   26    HD1  HIS  26           HD1      HIS  26   7.702   8.111  -3.737
   27    HD2  HIS  26           HD2      HIS  26   3.956   6.634  -2.699
   28    HE1  HIS  26           HE1      HIS  26   6.089   8.580  -5.600
   29    H    TYR  27           H        TYR  27   6.931   3.795  -0.325
   30    HA   TYR  27           HA       TYR  27   9.103   4.224   1.686
   31   1HB   TYR  27          2HB       TYR  27   6.395   4.226   2.005
   32   2HB   TYR  27          1HB       TYR  27   6.742   2.548   2.377
   33    HD1  TYR  27           HD1      TYR  27   8.624   2.049   4.081
   34    HD2  TYR  27           HD2      TYR  27   6.862   5.905   3.684
   35    HE1  TYR  27           HE1      TYR  27   9.505   2.677   6.268
   36    HE2  TYR  27           HE2      TYR  27   7.741   6.527   5.883
   37    HH   TYR  27           HH       TYR  27   8.481   5.325   7.994
   38    H    LYS  28           H        LYS  28   8.994   2.633  -0.809
   39    HA   LYS  28           HA       LYS  28   9.429  -0.167   0.115
   40   1HB   LYS  28          2HB       LYS  28   8.170   0.067  -1.902
   41   2HB   LYS  28          1HB       LYS  28   9.346   1.144  -2.612
   42   1HG   LYS  28          2HG       LYS  28  10.434  -1.518  -1.891
   43   2HG   LYS  28          1HG       LYS  28   9.237  -1.515  -3.168
   44   1HD   LYS  28          2HD       LYS  28  10.408   0.151  -4.415
   45   2HD   LYS  28          1HD       LYS  28  11.570   0.452  -3.156
   46   1HE   LYS  28          2HE       LYS  28  11.271  -2.182  -4.629
   47   2HE   LYS  28          1HE       LYS  28  12.575  -1.012  -4.852
   48   1HZ   LYS  28          HZ        LYS  28  12.007  -2.443  -2.289
   49    H    ASN  29           H        ASN  29  11.242   2.323  -1.551
   50    HA   ASN  29           HA       ASN  29  13.780   1.117  -1.758
   51   1HB   ASN  29          2HB       ASN  29  13.062   3.489  -2.577
   52   2HB   ASN  29          1HB       ASN  29  13.452   4.052  -0.958
   53   1HD2  ASN  29          1HD2      ASN  29  14.820   3.476  -4.025
   54   2HD2  ASN  29          2HD2      ASN  29  16.441   3.512  -3.506
   55    H    LEU  30           H        LEU  30  12.588   3.076   0.897
   56    HA   LEU  30           HA       LEU  30  14.638   2.978   2.755
   57   1HB   LEU  30          2HB       LEU  30  11.616   2.806   3.250
   58   2HB   LEU  30          1HB       LEU  30  12.774   2.976   4.540
   59    HG   LEU  30           HG       LEU  30  13.596   5.126   3.535
   60   1HD1  LEU  30          1HD1      LEU  30  12.208   6.272   1.814
   61   2HD1  LEU  30          2HD1      LEU  30  11.265   4.823   1.585
   62   3HD1  LEU  30          3HD1      LEU  30  12.974   4.858   1.157
   63   1HD2  LEU  30          1HD2      LEU  30  11.907   5.202   5.315
   64   2HD2  LEU  30          2HD2      LEU  30  10.615   5.023   4.141
   65   3HD2  LEU  30          3HD2      LEU  30  11.591   6.476   4.157
   66    H    ILE  31           H        ILE  31  12.219   0.505   2.153
   67    HA   ILE  31           HA       ILE  31  13.090  -1.258   4.251
   68    HB   ILE  31           HB       ILE  31  11.745  -2.009   1.595
   69   1HG1  ILE  31          2HG1      ILE  31  10.431  -1.289   4.266
   70   2HG1  ILE  31          1HG1      ILE  31  10.501  -0.187   2.917
   71   1HG2  ILE  31          1HG2      ILE  31  11.695  -3.380   4.327
   72   2HG2  ILE  31          2HG2      ILE  31  12.646  -3.930   2.962
   73   3HG2  ILE  31          3HG2      ILE  31  10.901  -3.966   2.874
   74   1HD1  ILE  31          1HD1      ILE  31   9.221  -1.842   1.524
   75   2HD1  ILE  31          2HD1      ILE  31   8.331  -1.293   2.932
   76   3HD1  ILE  31          3HD1      ILE  31   9.072  -2.882   2.930
   77    H    GLU  32           H        GLU  32  13.653  -1.121   0.911
   78    HA   GLU  32           HA       GLU  32  15.596  -3.186   0.694
   79   1HB   GLU  32          2HB       GLU  32  15.284  -0.647  -0.983
   80   2HB   GLU  32          1HB       GLU  32  16.390  -1.928  -1.424
   81   1HG   GLU  32          2HG       GLU  32  14.630  -3.519  -1.744
   82   2HG   GLU  32          1HG       GLU  32  13.473  -2.572  -0.824
   83    H    ARG  33           H        ARG  33  15.985  -0.111   1.651
   84    HA   ARG  33           HA       ARG  33  18.829   0.281   1.600
   85   1HB   ARG  33          2HB       ARG  33  17.205   2.132   2.383
   86   2HB   ARG  33          1HB       ARG  33  16.931   1.224   3.854
   87   1HG   ARG  33          2HG       ARG  33  19.385   1.396   4.420
   88   2HG   ARG  33          1HG       ARG  33  19.611   2.381   2.992
   89   1HD   ARG  33          2HD       ARG  33  18.022   4.127   4.016
   90   2HD   ARG  33          1HD       ARG  33  17.904   3.058   5.421
   91    HE   ARG  33           HE       ARG  33  20.589   3.925   4.482
   92   1HH1  ARG  33          1HH2      ARG  33  18.169   4.094   6.935
   93   2HH1  ARG  33          2HH2      ARG  33  19.192   4.764   8.124
   94   1HH2  ARG  33          2HH1      ARG  33  21.992   4.782   5.977
   95   2HH2  ARG  33          1HH1      ARG  33  21.459   5.204   7.550
   96    H    GLN  34           H        GLN  34  16.785  -1.375   3.793
   97    HA   GLN  34           HA       GLN  34  18.856  -2.098   5.699
   98   1HB   GLN  34          2HB       GLN  34  16.170  -3.427   5.140
   99   2HB   GLN  34          1HB       GLN  34  17.138  -3.645   6.586
  100   1HG   GLN  34          2HG       GLN  34  16.894  -1.268   7.186
  101   2HG   GLN  34          1HG       GLN  34  16.030  -0.937   5.686
  102   1HE2  GLN  34          1HE2      GLN  34  13.838  -0.901   5.998
  103   2HE2  GLN  34          2HE2      GLN  34  12.993  -1.846   7.145
  104    H    ARG  35           H        ARG  35  17.941  -3.283   2.644
  105    HA   ARG  35           HA       ARG  35  19.223  -5.894   3.080
  106   1HB   ARG  35          2HB       ARG  35  17.085  -5.226   1.573
  107   2HB   ARG  35          1HB       ARG  35  18.307  -4.859   0.379
  108   1HG   ARG  35          2HG       ARG  35  17.759  -7.570   1.681
  109   2HG   ARG  35          1HG       ARG  35  17.490  -7.133   0.006
  110   1HD   ARG  35          2HD       ARG  35  19.912  -6.648  -0.196
  111   2HD   ARG  35          1HD       ARG  35  20.213  -7.397   1.380
  112    HE   ARG  35           HE       ARG  35  18.925  -9.402   0.190
  113   1HH1  ARG  35          1HH2      ARG  35  21.326  -7.251  -1.087
  114   2HH1  ARG  35          2HH2      ARG  35  21.892  -8.336  -2.276
  115   1HH2  ARG  35          2HH1      ARG  35  19.666 -10.908  -1.345
  116   2HH2  ARG  35          1HH1      ARG  35  20.939 -10.484  -2.399
  117    H    TYR  36           H        TYR  36  20.699  -3.517   3.476
  118    HA   TYR  36           HA       TYR  36  22.866  -3.796   1.492
  119   1HB   TYR  36          2HB       TYR  36  21.572  -1.510   1.340
  120   2HB   TYR  36          1HB       TYR  36  22.113  -1.225   2.991
  121    HD1  TYR  36           HD1      TYR  36  23.514  -2.111  -0.395
  122    HD2  TYR  36           HD2      TYR  36  24.181  -0.219   3.359
  123    HE1  TYR  36           HE1      TYR  36  25.681  -1.285  -1.192
  124    HE2  TYR  36           HE2      TYR  36  26.341   0.609   2.562
  125    HH   TYR  36           HH       TYR  36  27.555   1.009   0.623
  126   1HT   TYR  36          1HT       TYR  36  22.891  -5.496   3.492
  127   2HT   TYR  36          2HT       TYR  36  23.824  -4.978   4.816
  Start of MODEL   11
    1   1H    ACE  24          1HA       ACE  24   1.397   0.282  -4.125
    2   2H    ACE  24          2HA       ACE  24   0.020   1.305  -3.720
    3   3H    ACE  24          3HA       ACE  24   0.652   0.175  -2.529
    4    H    ALA  24           H        ALA  24   1.946   1.145  -1.011
    5    HA   ALA  24           HA       ALA  24   2.902   3.890  -1.476
    6   1HB   ALA  24          1HB       ALA  24   3.244   2.044   0.932
    7   2HB   ALA  24          2HB       ALA  24   1.969   3.244   0.732
    8   3HB   ALA  24          3HB       ALA  24   3.642   3.750   0.891
    9    H    ARG  25           H        ARG  25   4.035   2.164  -3.209
   10    HA   ARG  25           HA       ARG  25   6.461   0.928  -2.830
   11   1HB   ARG  25          2HB       ARG  25   6.981   1.634  -5.169
   12   2HB   ARG  25          1HB       ARG  25   5.351   1.024  -4.994
   13   1HG   ARG  25          2HG       ARG  25   4.943   3.731  -4.500
   14   2HG   ARG  25          1HG       ARG  25   6.322   3.804  -5.568
   15   1HD   ARG  25          2HD       ARG  25   5.080   2.445  -7.247
   16   2HD   ARG  25          1HD       ARG  25   3.673   2.397  -6.209
   17    HE   ARG  25           HE       ARG  25   4.682   4.675  -7.733
   18   1HH1  ARG  25          1HH2      ARG  25   2.826   3.660  -5.023
   19   2HH1  ARG  25          2HH2      ARG  25   1.815   5.022  -4.956
   20   1HH2  ARG  25          2HH1      ARG  25   3.435   6.543  -7.730
   21   2HH2  ARG  25          1HH1      ARG  25   2.205   6.765  -6.563
   22    H    HIS  26           H        HIS  26   6.006   4.404  -2.983
   23    HA   HIS  26           HA       HIS  26   8.690   5.205  -3.088
   24   1HB   HIS  26          2HB       HIS  26   6.445   6.556  -1.503
   25   2HB   HIS  26          1HB       HIS  26   7.878   7.356  -2.120
   26    HD1  HIS  26           HD1      HIS  26   8.049   6.966  -4.931
   27    HD2  HIS  26           HD2      HIS  26   4.336   6.879  -3.070
   28    HE1  HIS  26           HE1      HIS  26   6.272   7.391  -6.642
   29    H    TYR  27           H        TYR  27   6.957   3.927  -0.602
   30    HA   TYR  27           HA       TYR  27   9.028   4.427   1.495
   31   1HB   TYR  27          2HB       TYR  27   6.138   3.565   1.550
   32   2HB   TYR  27          1HB       TYR  27   7.171   3.050   2.849
   33    HD1  TYR  27           HD1      TYR  27   6.776   6.346   1.003
   34    HD2  TYR  27           HD2      TYR  27   6.837   4.332   4.755
   35    HE1  TYR  27           HE1      TYR  27   6.420   8.483   2.179
   36    HE2  TYR  27           HE2      TYR  27   6.489   6.454   5.902
   37    HH   TYR  27           HH       TYR  27   6.917   8.915   5.426
   38    H    LYS  28           H        LYS  28   9.017   2.476  -0.803
   39    HA   LYS  28           HA       LYS  28   9.391  -0.164   0.566
   40   1HB   LYS  28          2HB       LYS  28   8.423   0.354  -1.930
   41   2HB   LYS  28          1HB       LYS  28  10.121   0.265  -2.347
   42   1HG   LYS  28          2HG       LYS  28  10.054  -2.001  -0.997
   43   2HG   LYS  28          1HG       LYS  28   8.322  -1.834  -1.120
   44   1HD   LYS  28          2HD       LYS  28   9.060  -3.220  -2.907
   45   2HD   LYS  28          1HD       LYS  28   8.463  -1.727  -3.607
   46   1HE   LYS  28          2HE       LYS  28  10.697  -2.592  -4.533
   47   2HE   LYS  28          1HE       LYS  28  10.761  -0.915  -4.002
   48   1HZ   LYS  28          HZ        LYS  28  11.651  -3.255  -2.347
   49    H    ASN  29           H        ASN  29  11.015   2.321  -1.190
   50    HA   ASN  29           HA       ASN  29  13.655   1.621  -1.414
   51   1HB   ASN  29          2HB       ASN  29  12.632   3.845  -2.058
   52   2HB   ASN  29          1HB       ASN  29  12.787   4.366  -0.383
   53   1HD2  ASN  29          1HD2      ASN  29  14.953   4.906   0.359
   54   2HD2  ASN  29          2HD2      ASN  29  16.287   4.826  -0.698
   55    H    LEU  30           H        LEU  30  12.230   3.131   1.357
   56    HA   LEU  30           HA       LEU  30  14.376   3.209   3.172
   57   1HB   LEU  30          2HB       LEU  30  11.424   2.785   3.848
   58   2HB   LEU  30          1HB       LEU  30  12.642   3.440   4.919
   59    HG   LEU  30           HG       LEU  30  11.779   4.777   2.290
   60   1HD1  LEU  30          1HD1      LEU  30   9.975   4.803   4.014
   61   2HD1  LEU  30          2HD1      LEU  30  10.641   6.396   3.741
   62   3HD1  LEU  30          3HD1      LEU  30  11.104   5.487   5.168
   63   1HD2  LEU  30          1HD2      LEU  30  13.538   5.791   4.573
   64   2HD2  LEU  30          2HD2      LEU  30  13.069   6.717   3.166
   65   3HD2  LEU  30          3HD2      LEU  30  14.128   5.334   2.989
   66    H    ILE  31           H        ILE  31  12.291   0.601   2.367
   67    HA   ILE  31           HA       ILE  31  13.404  -1.137   4.495
   68    HB   ILE  31           HB       ILE  31  11.249  -1.664   2.370
   69   1HG1  ILE  31          2HG1      ILE  31  10.897  -1.097   5.359
   70   2HG1  ILE  31          1HG1      ILE  31  10.758   0.160   4.148
   71   1HG2  ILE  31          1HG2      ILE  31  11.985  -3.250   4.894
   72   2HG2  ILE  31          2HG2      ILE  31  12.323  -3.762   3.251
   73   3HG2  ILE  31          3HG2      ILE  31  10.672  -3.637   3.801
   74   1HD1  ILE  31          1HD1      ILE  31   9.022  -2.340   4.214
   75   2HD1  ILE  31          2HD1      ILE  31   8.933  -1.046   3.027
   76   3HD1  ILE  31          3HD1      ILE  31   8.537  -0.728   4.700
   77    H    GLU  32           H        GLU  32  13.873  -0.231   1.335
   78    HA   GLU  32           HA       GLU  32  15.334  -2.719   0.566
   79   1HB   GLU  32          2HB       GLU  32  14.497  -0.221  -0.974
   80   2HB   GLU  32          1HB       GLU  32  15.456  -1.501  -1.689
   81   1HG   GLU  32          2HG       GLU  32  13.692  -3.088  -1.501
   82   2HG   GLU  32          1HG       GLU  32  12.869  -2.199  -0.237
   83    H    ARG  33           H        ARG  33  16.052  -0.781   2.564
   84    HA   ARG  33           HA       ARG  33  18.662   0.248   1.565
   85   1HB   ARG  33          2HB       ARG  33  17.173   1.858   2.820
   86   2HB   ARG  33          1HB       ARG  33  17.066   0.772   4.173
   87   1HG   ARG  33          2HG       ARG  33  18.667   2.508   4.721
   88   2HG   ARG  33          1HG       ARG  33  19.535   1.000   4.540
   89   1HD   ARG  33          2HD       ARG  33  20.367   1.603   2.351
   90   2HD   ARG  33          1HD       ARG  33  19.290   2.974   2.228
   91    HE   ARG  33           HE       ARG  33  21.547   2.700   4.193
   92   1HH1  ARG  33          1HH2      ARG  33  19.590   4.704   2.164
   93   2HH1  ARG  33          2HH2      ARG  33  20.436   6.147   2.503
   94   1HH2  ARG  33          2HH1      ARG  33  22.684   4.542   4.676
   95   2HH2  ARG  33          1HH1      ARG  33  22.271   6.055   3.981
   96    H    GLN  34           H        GLN  34  17.257  -1.206   4.352
   97    HA   GLN  34           HA       GLN  34  19.167  -2.487   5.731
   98   1HB   GLN  34          2HB       GLN  34  16.468  -3.622   4.876
   99   2HB   GLN  34          1HB       GLN  34  17.516  -4.512   5.956
  100   1HG   GLN  34          2HG       GLN  34  15.873  -3.213   7.284
  101   2HG   GLN  34          1HG       GLN  34  17.490  -2.606   7.575
  102   1HE2  GLN  34          1HE2      GLN  34  14.346  -1.702   6.420
  103   2HE2  GLN  34          2HE2      GLN  34  14.792  -0.126   5.940
  104    H    ARG  35           H        ARG  35  17.909  -3.909   2.748
  105    HA   ARG  35           HA       ARG  35  19.955  -6.015   2.883
  106   1HB   ARG  35          2HB       ARG  35  17.460  -6.316   2.139
  107   2HB   ARG  35          1HB       ARG  35  17.986  -5.630   0.608
  108   1HG   ARG  35          2HG       ARG  35  19.886  -7.492   0.740
  109   2HG   ARG  35          1HG       ARG  35  18.844  -8.228   1.938
  110   1HD   ARG  35          2HD       ARG  35  16.958  -8.146   0.263
  111   2HD   ARG  35          1HD       ARG  35  18.068  -7.591  -0.961
  112    HE   ARG  35           HE       ARG  35  17.958 -10.281   0.275
  113   1HH1  ARG  35          1HH2      ARG  35  19.753  -8.097  -1.702
  114   2HH1  ARG  35          2HH2      ARG  35  20.631  -9.304  -2.529
  115   1HH2  ARG  35          2HH1      ARG  35  19.095 -11.911  -0.706
  116   2HH2  ARG  35          1HH1      ARG  35  20.255 -11.574  -1.910
  117    H    TYR  36           H        TYR  36  20.851  -3.321   2.428
  118    HA   TYR  36           HA       TYR  36  22.074  -3.550  -0.263
  119   1HB   TYR  36          2HB       TYR  36  20.525  -1.501   0.262
  120   2HB   TYR  36          1HB       TYR  36  21.741  -1.009   1.422
  121    HD1  TYR  36           HD1      TYR  36  24.130  -0.458   0.546
  122    HD2  TYR  36           HD2      TYR  36  20.798  -1.007  -2.062
  123    HE1  TYR  36           HE1      TYR  36  25.338   0.670  -1.237
  124    HE2  TYR  36           HE2      TYR  36  22.038   0.137  -3.846
  125    HH   TYR  36           HH       TYR  36  25.120   0.529  -4.018
  126   1HT   TYR  36          1HT       TYR  36  23.256  -5.150   1.383
  127   2HT   TYR  36          2HT       TYR  36  24.620  -4.494   2.167
  Start of MODEL   12
    1   1H    ACE  24          1HA       ACE  24   0.525   0.505  -1.621
    2   2H    ACE  24          2HA       ACE  24  -0.854   1.520  -1.209
    3   3H    ACE  24          3HA       ACE  24   0.226   0.954   0.062
    4    H    ALA  24           H        ALA  24   1.672   2.455   0.713
    5    HA   ALA  24           HA       ALA  24   2.092   4.887  -0.891
    6   1HB   ALA  24          1HB       ALA  24   3.386   5.643   1.109
    7   2HB   ALA  24          2HB       ALA  24   3.231   4.047   1.816
    8   3HB   ALA  24          3HB       ALA  24   1.801   5.048   1.577
    9    H    ARG  25           H        ARG  25   2.935   3.147  -2.403
   10    HA   ARG  25           HA       ARG  25   5.213   1.776  -2.633
   11   1HB   ARG  25          2HB       ARG  25   3.710   2.386  -4.563
   12   2HB   ARG  25          1HB       ARG  25   4.514   3.942  -4.675
   13   1HG   ARG  25          2HG       ARG  25   6.678   2.101  -4.688
   14   2HG   ARG  25          1HG       ARG  25   5.436   1.249  -5.563
   15   1HD   ARG  25          2HD       ARG  25   6.321   4.084  -6.261
   16   2HD   ARG  25          1HD       ARG  25   6.949   2.632  -6.994
   17    HE   ARG  25           HE       ARG  25   4.027   3.327  -7.063
   18   1HH1  ARG  25          1HH2      ARG  25   6.928   2.339  -8.746
   19   2HH1  ARG  25          2HH2      ARG  25   6.131   2.110 -10.234
   20   1HH2  ARG  25          2HH1      ARG  25   2.982   3.023  -9.051
   21   2HH2  ARG  25          1HH1      ARG  25   3.878   2.518 -10.413
   22    H    HIS  26           H        HIS  26   5.280   5.286  -2.842
   23    HA   HIS  26           HA       HIS  26   8.074   5.586  -3.253
   24   1HB   HIS  26          2HB       HIS  26   6.113   7.339  -3.423
   25   2HB   HIS  26          1HB       HIS  26   6.404   7.621  -1.716
   26    HD1  HIS  26           HD1      HIS  26   9.250   7.976  -1.358
   27    HD2  HIS  26           HD2      HIS  26   7.413   9.046  -4.924
   28    HE1  HIS  26           HE1      HIS  26  10.697   9.635  -2.555
   29    H    TYR  27           H        TYR  27   6.819   4.172  -0.640
   30    HA   TYR  27           HA       TYR  27   9.006   5.082   1.157
   31   1HB   TYR  27          2HB       TYR  27   6.536   5.383   1.912
   32   2HB   TYR  27          1HB       TYR  27   6.413   3.637   1.919
   33    HD1  TYR  27           HD1      TYR  27   8.468   6.417   3.325
   34    HD2  TYR  27           HD2      TYR  27   7.018   2.450   3.910
   35    HE1  TYR  27           HE1      TYR  27   9.404   6.398   5.598
   36    HE2  TYR  27           HE2      TYR  27   7.955   2.443   6.173
   37    HH   TYR  27           HH       TYR  27   8.558   4.401   7.928
   38    H    LYS  28           H        LYS  28   8.229   2.842  -0.833
   39    HA   LYS  28           HA       LYS  28   8.883   0.350   0.449
   40   1HB   LYS  28          2HB       LYS  28   7.662   0.494  -1.732
   41   2HB   LYS  28          1HB       LYS  28   9.118   1.060  -2.522
   42   1HG   LYS  28          2HG       LYS  28   9.097  -1.602  -1.048
   43   2HG   LYS  28          1HG       LYS  28   8.504  -1.493  -2.686
   44   1HD   LYS  28          2HD       LYS  28  10.640  -0.890  -3.565
   45   2HD   LYS  28          1HD       LYS  28  11.341  -0.523  -2.010
   46   1HE   LYS  28          2HE       LYS  28  10.887  -2.967  -1.369
   47   2HE   LYS  28          1HE       LYS  28  10.602  -3.231  -3.089
   48   1HZ   LYS  28          HZ        LYS  28  12.922  -2.400  -3.502
   49    H    ASN  29           H        ASN  29  10.856   2.380  -1.615
   50    HA   ASN  29           HA       ASN  29  13.237   1.183  -1.937
   51   1HB   ASN  29          2HB       ASN  29  12.774   3.634  -2.400
   52   2HB   ASN  29          1HB       ASN  29  13.090   3.977  -0.705
   53   1HD2  ASN  29          1HD2      ASN  29  14.599   3.781  -3.739
   54   2HD2  ASN  29          2HD2      ASN  29  16.197   3.687  -3.169
   55    H    LEU  30           H        LEU  30  12.463   2.684   1.154
   56    HA   LEU  30           HA       LEU  30  14.725   2.165   2.628
   57   1HB   LEU  30          2HB       LEU  30  11.798   2.014   3.429
   58   2HB   LEU  30          1HB       LEU  30  13.074   1.857   4.617
   59    HG   LEU  30           HG       LEU  30  12.970   4.236   2.693
   60   1HD1  LEU  30          1HD1      LEU  30  11.890   5.485   4.554
   61   2HD1  LEU  30          2HD1      LEU  30  11.784   4.016   5.507
   62   3HD1  LEU  30          3HD1      LEU  30  10.870   4.160   4.020
   63   1HD2  LEU  30          1HD2      LEU  30  14.417   5.255   4.435
   64   2HD2  LEU  30          2HD2      LEU  30  15.153   3.768   3.880
   65   3HD2  LEU  30          3HD2      LEU  30  14.310   3.804   5.416
   66    H    ILE  31           H        ILE  31  12.212  -0.221   2.039
   67    HA   ILE  31           HA       ILE  31  13.256  -2.252   3.742
   68    HB   ILE  31           HB       ILE  31  11.590  -2.457   1.151
   69   1HG1  ILE  31          2HG1      ILE  31  10.763  -2.241   4.098
   70   2HG1  ILE  31          1HG1      ILE  31  10.561  -0.987   2.895
   71   1HG2  ILE  31          1HG2      ILE  31  12.571  -4.673   1.853
   72   2HG2  ILE  31          2HG2      ILE  31  10.835  -4.662   2.043
   73   3HG2  ILE  31          3HG2      ILE  31  11.870  -4.471   3.450
   74   1HD1  ILE  31          1HD1      ILE  31   9.178  -3.696   2.860
   75   2HD1  ILE  31          2HD1      ILE  31   9.054  -2.482   1.593
   76   3HD1  ILE  31          3HD1      ILE  31   8.440  -2.148   3.205
   77    H    GLU  32           H        GLU  32  14.371  -1.076   0.847
   78    HA   GLU  32           HA       GLU  32  16.146  -3.431   0.340
   79   1HB   GLU  32          2HB       GLU  32  15.307  -1.039  -1.357
   80   2HB   GLU  32          1HB       GLU  32  16.745  -1.936  -1.774
   81   1HG   GLU  32          2HG       GLU  32  14.975  -2.831  -3.130
   82   2HG   GLU  32          1HG       GLU  32  15.284  -4.022  -1.890
   83    H    ARG  33           H        ARG  33  16.250  -1.078   2.352
   84    HA   ARG  33           HA       ARG  33  18.979  -0.108   1.721
   85   1HB   ARG  33          2HB       ARG  33  16.995   1.480   2.396
   86   2HB   ARG  33          1HB       ARG  33  17.198   0.857   4.011
   87   1HG   ARG  33          2HG       ARG  33  18.444   2.990   3.725
   88   2HG   ARG  33          1HG       ARG  33  19.544   1.674   4.084
   89   1HD   ARG  33          2HD       ARG  33  20.289   1.517   1.798
   90   2HD   ARG  33          1HD       ARG  33  18.906   2.396   1.199
   91    HE   ARG  33           HE       ARG  33  21.132   3.566   2.859
   92   1HH1  ARG  33          1HH2      ARG  33  18.774   3.879   0.323
   93   2HH1  ARG  33          2HH2      ARG  33  19.252   5.469  -0.109
   94   1HH2  ARG  33          2HH1      ARG  33  21.773   5.626   2.334
   95   2HH2  ARG  33          1HH1      ARG  33  21.002   6.507   1.090
   96    H    GLN  34           H        GLN  34  17.154  -1.455   4.323
   97    HA   GLN  34           HA       GLN  34  19.010  -1.868   6.330
   98   1HB   GLN  34          2HB       GLN  34  16.651  -2.708   6.443
   99   2HB   GLN  34          1HB       GLN  34  17.034  -3.991   5.314
  100   1HG   GLN  34          2HG       GLN  34  18.661  -4.944   6.979
  101   2HG   GLN  34          1HG       GLN  34  18.306  -3.610   8.068
  102   1HE2  GLN  34          1HE2      GLN  34  17.225  -6.722   7.045
  103   2HE2  GLN  34          2HE2      GLN  34  15.785  -6.721   7.956
  104    H    ARG  35           H        ARG  35  18.614  -4.141   3.658
  105    HA   ARG  35           HA       ARG  35  21.195  -5.408   4.251
  106   1HB   ARG  35          2HB       ARG  35  19.022  -6.057   2.199
  107   2HB   ARG  35          1HB       ARG  35  20.494  -6.970   2.328
  108   1HG   ARG  35          2HG       ARG  35  18.471  -6.688   4.593
  109   2HG   ARG  35          1HG       ARG  35  18.509  -8.037   3.474
  110   1HD   ARG  35          2HD       ARG  35  21.017  -8.307   4.229
  111   2HD   ARG  35          1HD       ARG  35  20.565  -7.303   5.595
  112    HE   ARG  35           HE       ARG  35  18.722  -8.963   6.065
  113   1HH1  ARG  35          1HH2      ARG  35  21.571  -9.993   4.366
  114   2HH1  ARG  35          2HH2      ARG  35  21.419 -11.631   4.824
  115   1HH2  ARG  35          2HH1      ARG  35  18.484 -11.074   6.674
  116   2HH2  ARG  35          1HH1      ARG  35  19.610 -12.263   6.184
  117    H    TYR  36           H        TYR  36  21.546  -2.805   3.431
  118    HA   TYR  36           HA       TYR  36  22.523  -3.077   0.635
  119   1HB   TYR  36          2HB       TYR  36  20.755  -1.285   1.366
  120   2HB   TYR  36          1HB       TYR  36  22.107  -0.444   2.108
  121    HD1  TYR  36           HD1      TYR  36  24.152   0.068   0.476
  122    HD2  TYR  36           HD2      TYR  36  20.243  -0.959  -0.873
  123    HE1  TYR  36           HE1      TYR  36  24.650   1.029  -1.716
  124    HE2  TYR  36           HE2      TYR  36  20.753   0.011  -3.060
  125    HH   TYR  36           HH       TYR  36  23.854   0.791  -4.072
  126   1HT   TYR  36          1HT       TYR  36  24.175  -4.326   2.235
  127   2HT   TYR  36          2HT       TYR  36  25.537  -3.393   2.675
  Start of MODEL   13
    1   1H    ACE  24          1HA       ACE  24   1.448  -0.319  -3.159
    2   2H    ACE  24          2HA       ACE  24   0.063   0.073  -2.137
    3   3H    ACE  24          3HA       ACE  24   1.396  -0.866  -1.480
    4    H    ALA  24           H        ALA  24   2.755   0.328  -0.235
    5    HA   ALA  24           HA       ALA  24   2.649   3.274  -0.353
    6   1HB   ALA  24          1HB       ALA  24   2.672   2.095   1.835
    7   2HB   ALA  24          2HB       ALA  24   4.076   3.123   1.666
    8   3HB   ALA  24          3HB       ALA  24   4.238   1.390   1.449
    9    H    ARG  25           H        ARG  25   3.403   2.787  -2.580
   10    HA   ARG  25           HA       ARG  25   5.840   2.087  -3.571
   11   1HB   ARG  25          2HB       ARG  25   3.826   4.212  -4.289
   12   2HB   ARG  25          1HB       ARG  25   5.396   4.394  -5.031
   13   1HG   ARG  25          2HG       ARG  25   3.893   3.074  -6.471
   14   2HG   ARG  25          1HG       ARG  25   5.308   2.173  -6.008
   15   1HD   ARG  25          2HD       ARG  25   3.545   0.561  -5.740
   16   2HD   ARG  25          1HD       ARG  25   3.841   1.127  -4.137
   17    HE   ARG  25           HE       ARG  25   1.820   2.361  -4.107
   18   1HH1  ARG  25          1HH2      ARG  25   2.401   0.868  -7.134
   19   2HH1  ARG  25          2HH2      ARG  25   0.782   0.954  -7.693
   20   1HH2  ARG  25          2HH1      ARG  25  -0.297   2.559  -4.732
   21   2HH2  ARG  25          1HH1      ARG  25  -0.809   2.012  -6.272
   22    H    HIS  26           H        HIS  26   5.398   5.512  -2.569
   23    HA   HIS  26           HA       HIS  26   8.285   5.904  -2.652
   24   1HB   HIS  26          2HB       HIS  26   6.107   7.650  -1.416
   25   2HB   HIS  26          1HB       HIS  26   7.770   8.144  -1.682
   26    HD1  HIS  26           HD1      HIS  26   5.947   9.878  -3.140
   27    HD2  HIS  26           HD2      HIS  26   7.110   6.213  -4.735
   28    HE1  HIS  26           HE1      HIS  26   5.603   9.912  -5.607
   29    H    TYR  27           H        TYR  27   7.032   3.905  -0.738
   30    HA   TYR  27           HA       TYR  27   8.687   4.595   1.608
   31   1HB   TYR  27          2HB       TYR  27   5.925   4.736   1.669
   32   2HB   TYR  27          1HB       TYR  27   6.154   3.030   2.005
   33    HD1  TYR  27           HD1      TYR  27   7.762   2.395   3.968
   34    HD2  TYR  27           HD2      TYR  27   6.125   6.292   3.423
   35    HE1  TYR  27           HE1      TYR  27   8.217   2.910   6.301
   36    HE2  TYR  27           HE2      TYR  27   6.580   6.798   5.770
   37    HH   TYR  27           HH       TYR  27   8.558   4.942   7.735
   38    H    LYS  28           H        LYS  28   8.517   2.837  -0.895
   39    HA   LYS  28           HA       LYS  28   8.899   0.129   0.281
   40   1HB   LYS  28          2HB       LYS  28   7.593   0.239  -1.744
   41   2HB   LYS  28          1HB       LYS  28   8.831   1.126  -2.596
   42   1HG   LYS  28          2HG       LYS  28   9.695  -1.531  -1.449
   43   2HG   LYS  28          1HG       LYS  28   8.529  -1.608  -2.746
   44   1HD   LYS  28          2HD       LYS  28   9.961  -0.306  -4.206
   45   2HD   LYS  28          1HD       LYS  28  11.136  -0.031  -2.954
   46   1HE   LYS  28          2HE       LYS  28  10.394  -2.818  -3.896
   47   2HE   LYS  28          1HE       LYS  28  11.774  -1.906  -4.500
   48   1HZ   LYS  28          HZ        LYS  28  11.395  -2.658  -1.623
   49    H    ASN  29           H        ASN  29  10.758   2.115  -1.936
   50    HA   ASN  29           HA       ASN  29  13.173   0.974  -2.176
   51   1HB   ASN  29          2HB       ASN  29  12.762   3.277  -2.970
   52   2HB   ASN  29          1HB       ASN  29  12.787   3.897  -1.336
   53   1HD2  ASN  29          1HD2      ASN  29  15.291   1.532  -1.598
   54   2HD2  ASN  29          2HD2      ASN  29  16.519   2.643  -1.963
   55    H    LEU  30           H        LEU  30  12.464   2.887   0.636
   56    HA   LEU  30           HA       LEU  30  14.679   2.656   2.246
   57   1HB   LEU  30          2HB       LEU  30  11.838   2.327   3.318
   58   2HB   LEU  30          1HB       LEU  30  13.205   3.018   4.155
   59    HG   LEU  30           HG       LEU  30  11.824   4.259   1.709
   60   1HD1  LEU  30          1HD1      LEU  30  11.036   5.932   3.311
   61   2HD1  LEU  30          2HD1      LEU  30  11.801   5.071   4.637
   62   3HD1  LEU  30          3HD1      LEU  30  10.467   4.341   3.762
   63   1HD2  LEU  30          1HD2      LEU  30  14.051   5.388   3.476
   64   2HD2  LEU  30          2HD2      LEU  30  13.250   6.225   2.161
   65   3HD2  LEU  30          3HD2      LEU  30  14.271   4.848   1.817
   66    H    ILE  31           H        ILE  31  12.046   0.331   2.208
   67    HA   ILE  31           HA       ILE  31  13.121  -1.485   4.123
   68    HB   ILE  31           HB       ILE  31  11.267  -1.971   1.725
   69   1HG1  ILE  31          2HG1      ILE  31  10.574  -1.288   4.642
   70   2HG1  ILE  31          1HG1      ILE  31  10.464  -0.160   3.308
   71   1HG2  ILE  31          1HG2      ILE  31  10.383  -3.937   3.041
   72   2HG2  ILE  31          2HG2      ILE  31  11.566  -3.625   4.295
   73   3HG2  ILE  31          3HG2      ILE  31  12.078  -4.145   2.704
   74   1HD1  ILE  31          1HD1      ILE  31   8.238  -1.056   3.806
   75   2HD1  ILE  31          2HD1      ILE  31   8.798  -2.698   3.583
   76   3HD1  ILE  31          3HD1      ILE  31   8.751  -1.595   2.216
   77    H    GLU  32           H        GLU  32  14.218  -0.846   1.072
   78    HA   GLU  32           HA       GLU  32  15.624  -3.491   0.871
   79   1HB   GLU  32          2HB       GLU  32  15.223  -1.299  -1.219
   80   2HB   GLU  32          1HB       GLU  32  15.931  -2.872  -1.520
   81   1HG   GLU  32          2HG       GLU  32  13.833  -4.029  -1.089
   82   2HG   GLU  32          1HG       GLU  32  13.109  -2.624  -0.331
   83    H    ARG  33           H        ARG  33  16.183  -1.073   2.531
   84    HA   ARG  33           HA       ARG  33  18.921  -0.342   1.659
   85   1HB   ARG  33          2HB       ARG  33  17.578   1.577   2.473
   86   2HB   ARG  33          1HB       ARG  33  17.075   0.680   3.883
   87   1HG   ARG  33          2HG       ARG  33  18.689   2.196   4.721
   88   2HG   ARG  33          1HG       ARG  33  19.490   0.658   4.688
   89   1HD   ARG  33          2HD       ARG  33  21.086   2.261   3.814
   90   2HD   ARG  33          1HD       ARG  33  20.502   1.263   2.486
   91    HE   ARG  33           HE       ARG  33  19.084   3.816   3.061
   92   1HH1  ARG  33          1HH2      ARG  33  21.285   2.084   1.031
   93   2HH1  ARG  33          2HH2      ARG  33  21.107   3.127  -0.312
   94   1HH2  ARG  33          2HH1      ARG  33  18.847   5.247   1.348
   95   2HH2  ARG  33          1HH1      ARG  33  19.706   5.012  -0.107
   96    H    GLN  34           H        GLN  34  17.143  -1.769   4.256
   97    HA   GLN  34           HA       GLN  34  18.858  -2.437   6.232
   98   1HB   GLN  34          2HB       GLN  34  17.806  -4.675   6.468
   99   2HB   GLN  34          1HB       GLN  34  16.618  -3.438   6.192
  100   1HG   GLN  34          2HG       GLN  34  16.200  -4.174   3.932
  101   2HG   GLN  34          1HG       GLN  34  17.626  -5.211   3.900
  102   1HE2  GLN  34          1HE2      GLN  34  17.135  -7.398   4.361
  103   2HE2  GLN  34          2HE2      GLN  34  15.809  -7.875   5.311
  104    H    ARG  35           H        ARG  35  19.070  -4.089   3.107
  105    HA   ARG  35           HA       ARG  35  21.313  -5.719   4.011
  106   1HB   ARG  35          2HB       ARG  35  21.381  -6.452   1.604
  107   2HB   ARG  35          1HB       ARG  35  19.828  -6.666   2.359
  108   1HG   ARG  35          2HG       ARG  35  19.466  -5.863   0.105
  109   2HG   ARG  35          1HG       ARG  35  18.983  -4.585   1.190
  110   1HD   ARG  35          2HD       ARG  35  20.849  -3.236   0.664
  111   2HD   ARG  35          1HD       ARG  35  21.803  -4.579   0.074
  112    HE   ARG  35           HE       ARG  35  19.384  -3.443  -1.285
  113   1HH1  ARG  35          1HH2      ARG  35  22.502  -5.001  -1.462
  114   2HH1  ARG  35          2HH2      ARG  35  22.563  -5.031  -3.160
  115   1HH2  ARG  35          2HH1      ARG  35  19.422  -3.458  -3.525
  116   2HH2  ARG  35          1HH1      ARG  35  20.737  -4.140  -4.387
  117    H    TYR  36           H        TYR  36  21.701  -2.924   4.276
  118    HA   TYR  36           HA       TYR  36  24.123  -2.515   2.636
  119   1HB   TYR  36          2HB       TYR  36  22.120  -1.004   2.060
  120   2HB   TYR  36          1HB       TYR  36  22.180  -0.413   3.705
  121    HD1  TYR  36           HD1      TYR  36  24.127   0.985   4.471
  122    HD2  TYR  36           HD2      TYR  36  23.703  -0.199   0.401
  123    HE1  TYR  36           HE1      TYR  36  25.734   2.693   3.808
  124    HE2  TYR  36           HE2      TYR  36  25.324   1.524  -0.255
  125    HH   TYR  36           HH       TYR  36  27.354   3.077   1.840
  126   1HT   TYR  36          1HT       TYR  36  24.967  -3.813   4.614
  127   2HT   TYR  36          2HT       TYR  36  25.270  -2.934   6.037
  Start of MODEL   14
    1   1H    ACE  24          1HA       ACE  24   1.738   6.928  -3.476
    2   2H    ACE  24          2HA       ACE  24   1.947   8.139  -2.211
    3   3H    ACE  24          3HA       ACE  24   0.647   6.956  -2.091
    4    H    ALA  24           H        ALA  24   1.072   5.388  -0.710
    5    HA   ALA  24           HA       ALA  24   3.103   4.843   0.924
    6   1HB   ALA  24          1HB       ALA  24   1.605   2.677  -0.620
    7   2HB   ALA  24          2HB       ALA  24   1.052   3.454   0.855
    8   3HB   ALA  24          3HB       ALA  24   2.473   2.427   0.887
    9    H    ARG  25           H        ARG  25   3.036   3.555  -2.261
   10    HA   ARG  25           HA       ARG  25   5.204   1.952  -2.568
   11   1HB   ARG  25          2HB       ARG  25   5.510   2.754  -4.849
   12   2HB   ARG  25          1HB       ARG  25   3.803   2.700  -4.482
   13   1HG   ARG  25          2HG       ARG  25   3.759   5.162  -4.146
   14   2HG   ARG  25          1HG       ARG  25   5.498   5.254  -4.384
   15   1HD   ARG  25          2HD       ARG  25   5.111   4.167  -6.707
   16   2HD   ARG  25          1HD       ARG  25   3.419   4.457  -6.429
   17    HE   ARG  25           HE       ARG  25   3.772   6.823  -6.358
   18   1HH1  ARG  25          1HH2      ARG  25   6.592   5.017  -7.250
   19   2HH1  ARG  25          2HH2      ARG  25   7.367   6.326  -8.032
   20   1HH2  ARG  25          2HH1      ARG  25   4.752   8.576  -7.323
   21   2HH2  ARG  25          1HH1      ARG  25   6.292   8.427  -8.044
   22    H    HIS  26           H        HIS  26   5.422   5.377  -2.137
   23    HA   HIS  26           HA       HIS  26   8.108   5.868  -2.686
   24   1HB   HIS  26          2HB       HIS  26   6.359   7.621  -2.094
   25   2HB   HIS  26          1HB       HIS  26   6.306   7.007  -0.460
   26    HD1  HIS  26           HD1      HIS  26   9.202   8.221  -2.626
   27    HD2  HIS  26           HD2      HIS  26   7.512   8.692   1.148
   28    HE1  HIS  26           HE1      HIS  26  10.572   9.839  -1.313
   29    H    TYR  27           H        TYR  27   6.955   4.135  -0.135
   30    HA   TYR  27           HA       TYR  27   9.551   4.183   1.295
   31   1HB   TYR  27          2HB       TYR  27   6.813   3.062   1.977
   32   2HB   TYR  27          1HB       TYR  27   8.217   2.630   2.913
   33    HD1  TYR  27           HD1      TYR  27   6.473   3.559   4.628
   34    HD2  TYR  27           HD2      TYR  27   8.629   6.084   1.946
   35    HE1  TYR  27           HE1      TYR  27   6.088   5.453   6.109
   36    HE2  TYR  27           HE2      TYR  27   8.236   7.979   3.449
   37    HH   TYR  27           HH       TYR  27   6.799   7.622   6.612
   38    H    LYS  28           H        LYS  28   8.633   2.646  -1.186
   39    HA   LYS  28           HA       LYS  28   9.135  -0.168  -0.654
   40   1HB   LYS  28          2HB       LYS  28   8.053   0.483  -2.772
   41   2HB   LYS  28          1HB       LYS  28   9.470   1.389  -3.258
   42   1HG   LYS  28          2HG       LYS  28   9.962  -1.500  -2.516
   43   2HG   LYS  28          1HG       LYS  28   9.053  -1.239  -3.982
   44   1HD   LYS  28          2HD       LYS  28  10.787  -0.016  -4.996
   45   2HD   LYS  28          1HD       LYS  28  11.672   0.258  -3.523
   46   1HE   LYS  28          2HE       LYS  28  11.259  -2.549  -4.654
   47   2HE   LYS  28          1HE       LYS  28  12.694  -1.570  -4.964
   48   1HZ   LYS  28          HZ        LYS  28  11.787  -2.166  -2.180
   49    H    ASN  29           H        ASN  29  11.126   2.406  -1.926
   50    HA   ASN  29           HA       ASN  29  13.595   1.062  -2.171
   51   1HB   ASN  29          2HB       ASN  29  13.134   3.501  -2.804
   52   2HB   ASN  29          1HB       ASN  29  13.315   3.930  -1.112
   53   1HD2  ASN  29          1HD2      ASN  29  15.032   3.716  -3.979
   54   2HD2  ASN  29          2HD2      ASN  29  16.591   3.583  -3.315
   55    H    LEU  30           H        LEU  30  12.553   2.901   0.607
   56    HA   LEU  30           HA       LEU  30  14.471   2.570   2.492
   57   1HB   LEU  30          2HB       LEU  30  11.498   2.181   3.057
   58   2HB   LEU  30          1HB       LEU  30  12.714   2.625   4.230
   59    HG   LEU  30           HG       LEU  30  11.765   4.318   1.865
   60   1HD1  LEU  30          1HD1      LEU  30  11.665   4.758   4.888
   61   2HD1  LEU  30          2HD1      LEU  30  10.308   4.291   3.880
   62   3HD1  LEU  30          3HD1      LEU  30  11.050   5.862   3.670
   63   1HD2  LEU  30          1HD2      LEU  30  13.351   6.050   2.647
   64   2HD2  LEU  30          2HD2      LEU  30  14.243   4.635   2.151
   65   3HD2  LEU  30          3HD2      LEU  30  13.989   4.959   3.861
   66    H    ILE  31           H        ILE  31  11.889   0.131   2.269
   67    HA   ILE  31           HA       ILE  31  13.062  -1.625   4.180
   68    HB   ILE  31           HB       ILE  31  11.239  -2.258   1.781
   69   1HG1  ILE  31          2HG1      ILE  31  10.659  -1.513   4.699
   70   2HG1  ILE  31          1HG1      ILE  31  10.245  -0.573   3.281
   71   1HG2  ILE  31          1HG2      ILE  31  10.570  -4.315   3.038
   72   2HG2  ILE  31          2HG2      ILE  31  11.696  -3.913   4.325
   73   3HG2  ILE  31          3HG2      ILE  31  12.285  -4.362   2.738
   74   1HD1  ILE  31          1HD1      ILE  31   9.054  -3.284   4.002
   75   2HD1  ILE  31          2HD1      ILE  31   8.692  -2.379   2.541
   76   3HD1  ILE  31          3HD1      ILE  31   8.258  -1.731   4.114
   77    H    GLU  32           H        GLU  32  14.085  -0.938   1.100
   78    HA   GLU  32           HA       GLU  32  15.695  -3.471   0.913
   79   1HB   GLU  32          2HB       GLU  32  15.478  -1.234  -1.152
   80   2HB   GLU  32          1HB       GLU  32  16.115  -2.837  -1.416
   81   1HG   GLU  32          2HG       GLU  32  13.867  -3.821  -1.140
   82   2HG   GLU  32          1HG       GLU  32  13.222  -2.262  -0.645
   83    H    ARG  33           H        ARG  33  16.021  -0.992   2.675
   84    HA   ARG  33           HA       ARG  33  18.716  -0.196   1.742
   85   1HB   ARG  33          2HB       ARG  33  16.870   1.527   2.552
   86   2HB   ARG  33          1HB       ARG  33  17.280   0.988   4.161
   87   1HG   ARG  33          2HG       ARG  33  18.608   3.004   3.609
   88   2HG   ARG  33          1HG       ARG  33  19.673   1.623   3.787
   89   1HD   ARG  33          2HD       ARG  33  19.837   1.343   1.337
   90   2HD   ARG  33          1HD       ARG  33  18.564   2.495   1.072
   91    HE   ARG  33           HE       ARG  33  21.261   3.091   2.259
   92   1HH1  ARG  33          1HH2      ARG  33  18.576   4.006   0.218
   93   2HH1  ARG  33          2HH2      ARG  33  19.300   5.464  -0.290
   94   1HH2  ARG  33          2HH1      ARG  33  22.217   4.982   1.624
   95   2HH2  ARG  33          1HH1      ARG  33  21.437   6.054   0.547
   96    H    GLN  34           H        GLN  34  17.080  -1.588   4.434
   97    HA   GLN  34           HA       GLN  34  19.108  -1.884   6.329
   98   1HB   GLN  34          2HB       GLN  34  16.749  -2.741   6.619
   99   2HB   GLN  34          1HB       GLN  34  17.061  -4.010   5.452
  100   1HG   GLN  34          2HG       GLN  34  18.681  -5.077   6.972
  101   2HG   GLN  34          1HG       GLN  34  18.594  -3.712   8.077
  102   1HE2  GLN  34          1HE2      GLN  34  17.293  -6.808   7.586
  103   2HE2  GLN  34          2HE2      GLN  34  15.886  -6.570   8.508
  104    H    ARG  35           H        ARG  35  18.476  -3.812   3.534
  105    HA   ARG  35           HA       ARG  35  20.960  -5.353   3.743
  106   1HB   ARG  35          2HB       ARG  35  18.533  -6.171   3.059
  107   2HB   ARG  35          1HB       ARG  35  18.943  -5.501   1.492
  108   1HG   ARG  35          2HG       ARG  35  21.031  -6.976   1.530
  109   2HG   ARG  35          1HG       ARG  35  20.375  -7.749   2.963
  110   1HD   ARG  35          2HD       ARG  35  18.178  -7.968   1.457
  111   2HD   ARG  35          1HD       ARG  35  19.272  -7.782   0.118
  112    HE   ARG  35           HE       ARG  35  19.229  -9.967   2.144
  113   1HH1  ARG  35          1HH2      ARG  35  20.684  -8.677  -0.709
  114   2HH1  ARG  35          2HH2      ARG  35  21.384 -10.159  -1.208
  115   1HH2  ARG  35          2HH1      ARG  35  20.173 -11.905   1.596
  116   2HH2  ARG  35          1HH1      ARG  35  21.121 -12.039   0.180
  117    H    TYR  36           H        TYR  36  21.223  -2.509   3.195
  118    HA   TYR  36           HA       TYR  36  22.509  -2.590   0.526
  119   1HB   TYR  36          2HB       TYR  36  20.365  -1.138   0.691
  120   2HB   TYR  36          1HB       TYR  36  21.252  -0.159   1.852
  121    HD1  TYR  36           HD1      TYR  36  23.511   0.946   1.010
  122    HD2  TYR  36           HD2      TYR  36  20.593  -0.680  -1.637
  123    HE1  TYR  36           HE1      TYR  36  24.479   2.207  -0.827
  124    HE2  TYR  36           HE2      TYR  36  21.573   0.604  -3.479
  125    HH   TYR  36           HH       TYR  36  24.556   1.921  -3.449
  126   1HT   TYR  36          1HT       TYR  36  24.426  -3.276   1.781
  127   2HT   TYR  36          2HT       TYR  36  25.297  -2.131   2.688
  Start of MODEL   15
    1   1H    ACE  24          1HA       ACE  24   1.603   7.209  -2.487
    2   2H    ACE  24          2HA       ACE  24   2.083   8.131  -1.064
    3   3H    ACE  24          3HA       ACE  24   0.731   7.003  -0.965
    4    H    ALA  24           H        ALA  24   1.252   5.181   0.012
    5    HA   ALA  24           HA       ALA  24   3.469   4.242   1.158
    6   1HB   ALA  24          1HB       ALA  24   1.583   2.463  -0.478
    7   2HB   ALA  24          2HB       ALA  24   1.335   2.977   1.184
    8   3HB   ALA  24          3HB       ALA  24   2.664   1.909   0.790
    9    H    ARG  25           H        ARG  25   2.833   3.667  -2.165
   10    HA   ARG  25           HA       ARG  25   4.850   2.039  -3.062
   11   1HB   ARG  25          2HB       ARG  25   3.092   3.764  -4.372
   12   2HB   ARG  25          1HB       ARG  25   4.620   4.556  -4.709
   13   1HG   ARG  25          2HG       ARG  25   5.519   2.331  -5.553
   14   2HG   ARG  25          1HG       ARG  25   3.932   1.648  -5.312
   15   1HD   ARG  25          2HD       ARG  25   4.085   2.228  -7.623
   16   2HD   ARG  25          1HD       ARG  25   3.000   3.400  -6.932
   17    HE   ARG  25           HE       ARG  25   5.909   3.835  -7.553
   18   1HH1  ARG  25          1HH2      ARG  25   2.751   5.169  -7.100
   19   2HH1  ARG  25          2HH2      ARG  25   3.182   6.741  -7.624
   20   1HH2  ARG  25          2HH1      ARG  25   6.530   5.850  -8.218
   21   2HH2  ARG  25          1HH1      ARG  25   5.412   7.139  -8.255
   22    H    HIS  26           H        HIS  26   5.218   5.497  -2.495
   23    HA   HIS  26           HA       HIS  26   8.079   5.496  -3.023
   24   1HB   HIS  26          2HB       HIS  26   6.297   7.561  -1.682
   25   2HB   HIS  26          1HB       HIS  26   7.963   7.841  -2.151
   26    HD1  HIS  26           HD1      HIS  26   6.332   9.702  -3.523
   27    HD2  HIS  26           HD2      HIS  26   6.629   5.813  -4.956
   28    HE1  HIS  26           HE1      HIS  26   5.678   9.678  -5.931
   29    H    TYR  27           H        TYR  27   7.063   3.709  -0.854
   30    HA   TYR  27           HA       TYR  27   9.008   4.565   1.226
   31   1HB   TYR  27          2HB       TYR  27   6.325   4.674   1.705
   32   2HB   TYR  27          1HB       TYR  27   6.528   2.953   1.948
   33    HD1  TYR  27           HD1      TYR  27   8.205   2.157   3.751
   34    HD2  TYR  27           HD2      TYR  27   7.043   6.231   3.327
   35    HE1  TYR  27           HE1      TYR  27   9.050   2.642   5.994
   36    HE2  TYR  27           HE2      TYR  27   7.886   6.711   5.570
   37    HH   TYR  27           HH       TYR  27   8.459   5.552   7.665
   38    H    LYS  28           H        LYS  28   8.529   2.659  -1.124
   39    HA   LYS  28           HA       LYS  28   9.065  -0.028  -0.095
   40   1HB   LYS  28          2HB       LYS  28   7.948   0.239  -2.220
   41   2HB   LYS  28          1HB       LYS  28   9.253   1.191  -2.884
   42   1HG   LYS  28          2HG       LYS  28  10.042  -1.535  -1.868
   43   2HG   LYS  28          1HG       LYS  28   8.967  -1.539  -3.242
   44   1HD   LYS  28          2HD       LYS  28  10.449  -0.175  -4.532
   45   2HD   LYS  28          1HD       LYS  28  11.524   0.117  -3.187
   46   1HE   LYS  28          2HE       LYS  28  11.017  -2.690  -4.269
   47   2HE   LYS  28          1HE       LYS  28  12.387  -1.688  -4.755
   48   1HZ   LYS  28          HZ        LYS  28  11.842  -2.411  -1.903
   49    H    ASN  29           H        ASN  29  11.026   2.271  -1.848
   50    HA   ASN  29           HA       ASN  29  13.542   1.185  -1.931
   51   1HB   ASN  29          2HB       ASN  29  12.530   3.919  -1.892
   52   2HB   ASN  29          1HB       ASN  29  13.932   3.872  -0.846
   53   1HD2  ASN  29          1HD2      ASN  29  13.493   1.866  -3.828
   54   2HD2  ASN  29          2HD2      ASN  29  14.814   2.600  -4.604
   55    H    LEU  30           H        LEU  30  12.351   2.922   0.828
   56    HA   LEU  30           HA       LEU  30  14.385   2.666   2.663
   57   1HB   LEU  30          2HB       LEU  30  11.367   2.531   3.109
   58   2HB   LEU  30          1HB       LEU  30  12.497   2.660   4.433
   59    HG   LEU  30           HG       LEU  30  12.287   4.691   2.140
   60   1HD1  LEU  30          1HD1      LEU  30  11.293   6.161   3.876
   61   2HD1  LEU  30          2HD1      LEU  30  11.378   4.859   5.050
   62   3HD1  LEU  30          3HD1      LEU  30  10.329   4.718   3.652
   63   1HD2  LEU  30          1HD2      LEU  30  13.768   6.080   3.578
   64   2HD2  LEU  30          2HD2      LEU  30  14.597   4.602   3.176
   65   3HD2  LEU  30          3HD2      LEU  30  13.876   4.796   4.766
   66    H    ILE  31           H        ILE  31  12.252   0.067   1.835
   67    HA   ILE  31           HA       ILE  31  13.292  -1.632   4.044
   68    HB   ILE  31           HB       ILE  31  11.480  -2.166   1.708
   69   1HG1  ILE  31          2HG1      ILE  31  10.727  -1.275   4.560
   70   2HG1  ILE  31          1HG1      ILE  31  10.479  -0.357   3.088
   71   1HG2  ILE  31          1HG2      ILE  31  10.523  -4.112   3.110
   72   2HG2  ILE  31          2HG2      ILE  31  11.728  -3.745   4.337
   73   3HG2  ILE  31          3HG2      ILE  31  12.213  -4.327   2.755
   74   1HD1  ILE  31          1HD1      ILE  31   8.845  -2.057   2.286
   75   2HD1  ILE  31          2HD1      ILE  31   8.346  -1.324   3.803
   76   3HD1  ILE  31          3HD1      ILE  31   9.018  -2.940   3.798
   77    H    GLU  32           H        GLU  32  14.404  -0.702   1.317
   78    HA   GLU  32           HA       GLU  32  15.919  -3.254   0.739
   79   1HB   GLU  32          2HB       GLU  32  15.294  -0.911  -1.118
   80   2HB   GLU  32          1HB       GLU  32  16.266  -2.298  -1.564
   81   1HG   GLU  32          2HG       GLU  32  14.355  -3.816  -1.231
   82   2HG   GLU  32          1HG       GLU  32  13.400  -2.512  -0.535
   83    H    ARG  33           H        ARG  33  16.341  -1.066   2.665
   84    HA   ARG  33           HA       ARG  33  19.007  -0.045   1.758
   85   1HB   ARG  33          2HB       ARG  33  17.538   1.723   2.666
   86   2HB   ARG  33          1HB       ARG  33  17.168   0.776   4.095
   87   1HG   ARG  33          2HG       ARG  33  19.535   0.937   4.861
   88   2HG   ARG  33          1HG       ARG  33  19.985   1.747   3.373
   89   1HD   ARG  33          2HD       ARG  33  18.761   3.753   3.978
   90   2HD   ARG  33          1HD       ARG  33  17.901   2.903   5.247
   91    HE   ARG  33           HE       ARG  33  20.886   3.348   5.315
   92   1HH1  ARG  33          1HH2      ARG  33  17.808   3.558   6.851
   93   2HH1  ARG  33          2HH2      ARG  33  18.404   4.087   8.359
   94   1HH2  ARG  33          2HH1      ARG  33  21.761   4.016   7.268
   95   2HH2  ARG  33          1HH1      ARG  33  20.744   4.359   8.598
   96    H    GLN  34           H        GLN  34  17.350  -1.532   4.353
   97    HA   GLN  34           HA       GLN  34  19.075  -2.276   6.283
   98   1HB   GLN  34          2HB       GLN  34  17.094  -4.125   4.867
   99   2HB   GLN  34          1HB       GLN  34  17.869  -4.555   6.370
  100   1HG   GLN  34          2HG       GLN  34  15.631  -3.649   6.863
  101   2HG   GLN  34          1HG       GLN  34  16.828  -2.517   7.448
  102   1HE2  GLN  34          1HE2      GLN  34  15.396  -0.613   7.247
  103   2HE2  GLN  34          2HE2      GLN  34  14.900  -0.076   5.701
  104    H    ARG  35           H        ARG  35  18.796  -4.631   3.610
  105    HA   ARG  35           HA       ARG  35  21.532  -5.527   4.242
  106   1HB   ARG  35          2HB       ARG  35  21.129  -7.442   2.783
  107   2HB   ARG  35          1HB       ARG  35  19.809  -7.286   3.917
  108   1HG   ARG  35          2HG       ARG  35  18.363  -6.314   2.157
  109   2HG   ARG  35          1HG       ARG  35  19.699  -6.328   1.014
  110   1HD   ARG  35          2HD       ARG  35  19.839  -8.794   1.128
  111   2HD   ARG  35          1HD       ARG  35  18.565  -8.863   2.337
  112    HE   ARG  35           HE       ARG  35  17.105  -7.712   0.576
  113   1HH1  ARG  35          1HH2      ARG  35  19.640  -9.894  -0.345
  114   2HH1  ARG  35          2HH2      ARG  35  18.902 -10.361  -1.818
  115   1HH2  ARG  35          2HH1      ARG  35  16.140  -8.222  -1.307
  116   2HH2  ARG  35          1HH1      ARG  35  16.824  -9.357  -2.389
  117    H    TYR  36           H        TYR  36  20.269  -3.230   2.262
  118    HA   TYR  36           HA       TYR  36  22.599  -3.334   0.461
  119   1HB   TYR  36          2HB       TYR  36  20.659  -4.299  -0.754
  120   2HB   TYR  36          1HB       TYR  36  19.671  -2.924  -0.321
  121    HD1  TYR  36           HD1      TYR  36  22.924  -3.649  -2.110
  122    HD2  TYR  36           HD2      TYR  36  19.420  -1.241  -1.851
  123    HE1  TYR  36           HE1      TYR  36  23.567  -2.476  -4.176
  124    HE2  TYR  36           HE2      TYR  36  20.065  -0.086  -3.907
  125    HH   TYR  36           HH       TYR  36  22.915   0.068  -5.137
  126   1HT   TYR  36          1HT       TYR  36  23.125  -1.791   2.348
  127   2HT   TYR  36          2HT       TYR  36  22.668  -0.167   2.150
  Start of MODEL   16
    1   1H    ACE  24          1HA       ACE  24  -0.324   3.831  -2.463
    2   2H    ACE  24          2HA       ACE  24   0.154   2.138  -2.333
    3   3H    ACE  24          3HA       ACE  24   0.643   3.087  -3.735
    4    H    ALA  24           H        ALA  24   1.795   1.863  -0.900
    5    HA   ALA  24           HA       ALA  24   3.522   4.174  -0.220
    6   1HB   ALA  24          1HB       ALA  24   4.307   2.697   1.618
    7   2HB   ALA  24          2HB       ALA  24   3.359   1.374   0.969
    8   3HB   ALA  24          3HB       ALA  24   2.558   2.801   1.612
    9    H    ARG  25           H        ARG  25   3.674   2.578  -2.754
   10    HA   ARG  25           HA       ARG  25   5.982   0.991  -2.936
   11   1HB   ARG  25          2HB       ARG  25   6.071   1.552  -5.313
   12   2HB   ARG  25          1HB       ARG  25   4.402   1.382  -4.876
   13   1HG   ARG  25          2HG       ARG  25   5.805   4.090  -5.214
   14   2HG   ARG  25          1HG       ARG  25   4.944   3.258  -6.469
   15   1HD   ARG  25          2HD       ARG  25   2.804   3.398  -5.157
   16   2HD   ARG  25          1HD       ARG  25   3.687   4.272  -3.904
   17    HE   ARG  25           HE       ARG  25   3.679   5.269  -6.707
   18   1HH1  ARG  25          1HH2      ARG  25   2.827   5.799  -3.364
   19   2HH1  ARG  25          2HH2      ARG  25   2.519   7.458  -3.574
   20   1HH2  ARG  25          2HH1      ARG  25   3.225   7.419  -7.011
   21   2HH2  ARG  25          1HH1      ARG  25   2.718   8.395  -5.706
   22    H    HIS  26           H        HIS  26   5.633   4.456  -3.085
   23    HA   HIS  26           HA       HIS  26   8.501   4.952  -3.308
   24   1HB   HIS  26          2HB       HIS  26   6.632   6.493  -4.188
   25   2HB   HIS  26          1HB       HIS  26   6.320   6.928  -2.509
   26    HD1  HIS  26           HD1      HIS  26   9.447   6.766  -4.666
   27    HD2  HIS  26           HD2      HIS  26   7.569   9.142  -1.821
   28    HE1  HIS  26           HE1      HIS  26  10.840   8.792  -4.248
   29    H    TYR  27           H        TYR  27   7.447   3.385  -1.004
   30    HA   TYR  27           HA       TYR  27   8.885   4.847   1.119
   31   1HB   TYR  27          2HB       TYR  27   6.144   4.621   1.157
   32   2HB   TYR  27          1HB       TYR  27   6.548   3.057   1.838
   33    HD1  TYR  27           HD1      TYR  27   8.179   3.048   3.922
   34    HD2  TYR  27           HD2      TYR  27   6.123   6.529   2.557
   35    HE1  TYR  27           HE1      TYR  27   8.526   4.101   6.082
   36    HE2  TYR  27           HE2      TYR  27   6.482   7.575   4.735
   37    HH   TYR  27           HH       TYR  27   8.051   5.909   7.410
   38    H    LYS  28           H        LYS  28   9.039   2.573  -0.940
   39    HA   LYS  28           HA       LYS  28   9.684   0.253   0.725
   40   1HB   LYS  28          2HB       LYS  28   9.825   0.833  -2.247
   41   2HB   LYS  28          1HB       LYS  28  10.632  -0.552  -1.582
   42   1HG   LYS  28          2HG       LYS  28   8.122  -0.788  -0.424
   43   2HG   LYS  28          1HG       LYS  28   7.752  -0.024  -1.953
   44   1HD   LYS  28          2HD       LYS  28   7.633  -2.397  -2.326
   45   2HD   LYS  28          1HD       LYS  28   9.077  -1.822  -3.125
   46   1HE   LYS  28          2HE       LYS  28   9.390  -2.791  -0.276
   47   2HE   LYS  28          1HE       LYS  28   9.106  -3.989  -1.526
   48   1HZ   LYS  28          HZ        LYS  28  11.123  -2.964  -2.709
   49    H    ASN  29           H        ASN  29  11.382   2.634  -1.163
   50    HA   ASN  29           HA       ASN  29  13.999   1.981  -1.288
   51   1HB   ASN  29          2HB       ASN  29  13.052   4.258  -1.748
   52   2HB   ASN  29          1HB       ASN  29  12.977   4.583  -0.030
   53   1HD2  ASN  29          1HD2      ASN  29  14.760   5.410  -2.631
   54   2HD2  ASN  29          2HD2      ASN  29  16.273   5.596  -1.880
   55    H    LEU  30           H        LEU  30  12.609   3.197   1.689
   56    HA   LEU  30           HA       LEU  30  14.818   2.793   3.410
   57   1HB   LEU  30          2HB       LEU  30  11.827   2.870   3.921
   58   2HB   LEU  30          1HB       LEU  30  12.978   2.742   5.216
   59    HG   LEU  30           HG       LEU  30  12.237   5.077   4.849
   60   1HD1  LEU  30          1HD1      LEU  30  14.470   6.141   4.820
   61   2HD1  LEU  30          2HD1      LEU  30  15.198   4.675   4.211
   62   3HD1  LEU  30          3HD1      LEU  30  14.475   4.697   5.809
   63   1HD2  LEU  30          1HD2      LEU  30  13.642   4.951   2.147
   64   2HD2  LEU  30          2HD2      LEU  30  12.933   6.368   2.878
   65   3HD2  LEU  30          3HD2      LEU  30  11.892   5.052   2.381
   66    H    ILE  31           H        ILE  31  12.010   0.811   2.915
   67    HA   ILE  31           HA       ILE  31  12.868  -1.411   4.537
   68    HB   ILE  31           HB       ILE  31  10.731  -1.215   2.312
   69   1HG1  ILE  31          2HG1      ILE  31  10.383  -0.868   5.350
   70   2HG1  ILE  31          1HG1      ILE  31  10.513   0.485   4.248
   71   1HG2  ILE  31          1HG2      ILE  31  10.930  -3.201   4.624
   72   2HG2  ILE  31          2HG2      ILE  31  11.217  -3.566   2.937
   73   3HG2  ILE  31          3HG2      ILE  31   9.613  -3.126   3.462
   74   1HD1  ILE  31          1HD1      ILE  31   8.500  -0.264   3.028
   75   2HD1  ILE  31          2HD1      ILE  31   8.154   0.031   4.724
   76   3HD1  ILE  31          3HD1      ILE  31   8.315  -1.615   4.136
   77    H    GLU  32           H        GLU  32  13.598  -0.401   1.457
   78    HA   GLU  32           HA       GLU  32  14.743  -3.071   0.709
   79   1HB   GLU  32          2HB       GLU  32  13.729  -0.716  -0.906
   80   2HB   GLU  32          1HB       GLU  32  15.095  -1.574  -1.570
   81   1HG   GLU  32          2HG       GLU  32  13.166  -2.554  -2.578
   82   2HG   GLU  32          1HG       GLU  32  13.734  -3.729  -1.415
   83    H    ARG  33           H        ARG  33  15.698  -0.898   2.569
   84    HA   ARG  33           HA       ARG  33  18.294  -0.234   1.247
   85   1HB   ARG  33          2HB       ARG  33  16.837   1.524   2.506
   86   2HB   ARG  33          1HB       ARG  33  17.309   0.720   3.988
   87   1HG   ARG  33          2HG       ARG  33  19.345   1.765   1.968
   88   2HG   ARG  33          1HG       ARG  33  18.714   2.773   3.245
   89   1HD   ARG  33          2HD       ARG  33  19.686   1.092   4.958
   90   2HD   ARG  33          1HD       ARG  33  20.275   0.171   3.613
   91    HE   ARG  33           HE       ARG  33  21.917   1.621   3.135
   92   1HH1  ARG  33          1HH2      ARG  33  19.728   2.890   5.416
   93   2HH1  ARG  33          2HH2      ARG  33  20.697   4.198   5.970
   94   1HH2  ARG  33          2HH1      ARG  33  23.332   3.315   3.749
   95   2HH2  ARG  33          1HH1      ARG  33  22.861   4.450   4.935
   96    H    GLN  34           H        GLN  34  16.834  -1.821   3.917
   97    HA   GLN  34           HA       GLN  34  18.653  -2.721   5.656
   98   1HB   GLN  34          2HB       GLN  34  16.629  -4.470   4.204
   99   2HB   GLN  34          1HB       GLN  34  17.418  -4.931   5.704
  100   1HG   GLN  34          2HG       GLN  34  16.501  -2.850   6.783
  101   2HG   GLN  34          1HG       GLN  34  15.647  -2.454   5.295
  102   1HE2  GLN  34          1HE2      GLN  34  14.847  -3.498   8.173
  103   2HE2  GLN  34          2HE2      GLN  34  13.698  -4.684   7.771
  104    H    ARG  35           H        ARG  35  18.889  -3.939   2.338
  105    HA   ARG  35           HA       ARG  35  20.995  -5.830   3.134
  106   1HB   ARG  35          2HB       ARG  35  19.425  -5.347   0.586
  107   2HB   ARG  35          1HB       ARG  35  21.004  -6.055   0.424
  108   1HG   ARG  35          2HG       ARG  35  19.519  -7.897   0.532
  109   2HG   ARG  35          1HG       ARG  35  20.329  -7.852   2.073
  110   1HD   ARG  35          2HD       ARG  35  18.303  -6.716   3.066
  111   2HD   ARG  35          1HD       ARG  35  17.484  -6.856   1.526
  112    HE   ARG  35           HE       ARG  35  18.478  -9.151   3.193
  113   1HH1  ARG  35          1HH2      ARG  35  16.254  -7.982   0.795
  114   2HH1  ARG  35          2HH2      ARG  35  15.379  -9.446   0.703
  115   1HH2  ARG  35          2HH1      ARG  35  17.374 -11.059   3.113
  116   2HH2  ARG  35          1HH1      ARG  35  16.033 -11.256   2.083
  117    H    TYR  36           H        TYR  36  20.769  -2.753   1.883
  118    HA   TYR  36           HA       TYR  36  23.642  -2.607   1.216
  119   1HB   TYR  36          2HB       TYR  36  21.437  -0.729   0.233
  120   2HB   TYR  36          1HB       TYR  36  23.068  -0.874  -0.406
  121    HD1  TYR  36           HD1      TYR  36  23.713  -3.446  -1.070
  122    HD2  TYR  36           HD2      TYR  36  19.760  -1.853  -0.983
  123    HE1  TYR  36           HE1      TYR  36  22.965  -5.218  -2.565
  124    HE2  TYR  36           HE2      TYR  36  19.020  -3.628  -2.485
  125    HH   TYR  36           HH       TYR  36  21.213  -5.781  -4.048
  126   1HT   TYR  36          1HT       TYR  36  23.614  -2.422   3.722
  127   2HT   TYR  36          2HT       TYR  36  23.480  -0.854   4.365
  Start of MODEL   17
    1   1H    ACE  24          1HA       ACE  24   0.509  -0.071  -0.544
    2   2H    ACE  24          2HA       ACE  24   0.441   0.378  -2.249
    3   3H    ACE  24          3HA       ACE  24  -0.676   1.113  -1.095
    4    H    ALA  24           H        ALA  24   2.168   0.892   0.520
    5    HA   ALA  24           HA       ALA  24   2.737   3.755   0.127
    6   1HB   ALA  24          1HB       ALA  24   4.261   3.422   2.062
    7   2HB   ALA  24          2HB       ALA  24   3.999   1.693   1.987
    8   3HB   ALA  24          3HB       ALA  24   2.675   2.769   2.413
    9    H    ARG  25           H        ARG  25   3.155   2.627  -2.081
   10    HA   ARG  25           HA       ARG  25   5.520   1.407  -2.886
   11   1HB   ARG  25          2HB       ARG  25   3.933   3.622  -4.263
   12   2HB   ARG  25          1HB       ARG  25   5.124   2.626  -5.070
   13   1HG   ARG  25          2HG       ARG  25   3.852   0.616  -4.770
   14   2HG   ARG  25          1HG       ARG  25   2.763   1.358  -3.621
   15   1HD   ARG  25          2HD       ARG  25   1.841   1.110  -5.991
   16   2HD   ARG  25          1HD       ARG  25   1.702   2.698  -5.288
   17    HE   ARG  25           HE       ARG  25   3.873   1.839  -7.201
   18   1HH1  ARG  25          1HH2      ARG  25   1.762   4.313  -5.993
   19   2HH1  ARG  25          2HH2      ARG  25   2.241   5.484  -7.135
   20   1HH2  ARG  25          2HH1      ARG  25   4.567   3.358  -8.687
   21   2HH2  ARG  25          1HH1      ARG  25   3.898   4.928  -8.688
   22    H    HIS  26           H        HIS  26   5.003   4.887  -2.721
   23    HA   HIS  26           HA       HIS  26   7.725   5.557  -3.325
   24   1HB   HIS  26          2HB       HIS  26   5.649   7.141  -3.417
   25   2HB   HIS  26          1HB       HIS  26   5.811   7.279  -1.675
   26    HD1  HIS  26           HD1      HIS  26   6.212   9.853  -2.333
   27    HD2  HIS  26           HD2      HIS  26   9.256   7.213  -3.339
   28    HE1  HIS  26           HE1      HIS  26   8.287  11.144  -2.800
   29    H    TYR  27           H        TYR  27   6.553   4.068  -0.698
   30    HA   TYR  27           HA       TYR  27   8.742   5.048   1.089
   31   1HB   TYR  27          2HB       TYR  27   6.056   5.022   1.588
   32   2HB   TYR  27          1HB       TYR  27   6.479   3.432   2.179
   33    HD1  TYR  27           HD1      TYR  27   7.180   7.044   2.590
   34    HD2  TYR  27           HD2      TYR  27   7.705   3.148   4.231
   35    HE1  TYR  27           HE1      TYR  27   8.000   8.032   4.680
   36    HE2  TYR  27           HE2      TYR  27   8.522   4.134   6.311
   37    HH   TYR  27           HH       TYR  27   8.876   6.074   7.475
   38    H    LYS  28           H        LYS  28   8.468   2.917  -1.036
   39    HA   LYS  28           HA       LYS  28   9.034   0.436   0.478
   40   1HB   LYS  28          2HB       LYS  28   7.850   0.760  -1.916
   41   2HB   LYS  28          1HB       LYS  28   9.482   0.675  -2.524
   42   1HG   LYS  28          2HG       LYS  28   8.087  -1.458  -0.842
   43   2HG   LYS  28          1HG       LYS  28   8.352  -1.541  -2.566
   44   1HD   LYS  28          2HD       LYS  28  10.540  -1.539  -0.441
   45   2HD   LYS  28          1HD       LYS  28   9.979  -2.927  -1.338
   46   1HE   LYS  28          2HE       LYS  28  10.723  -1.913  -3.471
   47   2HE   LYS  28          1HE       LYS  28  11.274  -0.477  -2.617
   48   1HZ   LYS  28          HZ        LYS  28  12.433  -3.195  -2.124
   49    H    ASN  29           H        ASN  29  10.794   2.643  -1.587
   50    HA   ASN  29           HA       ASN  29  13.299   1.777  -2.015
   51   1HB   ASN  29          2HB       ASN  29  12.195   4.329  -1.798
   52   2HB   ASN  29          1HB       ASN  29  13.437   4.374  -0.577
   53   1HD2  ASN  29          1HD2      ASN  29  12.973   4.888  -3.906
   54   2HD2  ASN  29          2HD2      ASN  29  14.613   4.775  -4.340
   55    H    LEU  30           H        LEU  30  12.407   3.048   1.115
   56    HA   LEU  30           HA       LEU  30  14.649   2.693   2.659
   57   1HB   LEU  30          2HB       LEU  30  11.732   2.307   3.388
   58   2HB   LEU  30          1HB       LEU  30  13.000   2.263   4.582
   59    HG   LEU  30           HG       LEU  30  11.906   4.483   4.439
   60   1HD1  LEU  30          1HD1      LEU  30  13.966   5.863   4.353
   61   2HD1  LEU  30          2HD1      LEU  30  14.838   4.552   3.590
   62   3HD1  LEU  30          3HD1      LEU  30  14.243   4.378   5.239
   63   1HD2  LEU  30          1HD2      LEU  30  12.289   5.992   2.531
   64   2HD2  LEU  30          2HD2      LEU  30  11.384   4.588   2.021
   65   3HD2  LEU  30          3HD2      LEU  30  13.107   4.732   1.648
   66    H    ILE  31           H        ILE  31  12.214   0.157   2.133
   67    HA   ILE  31           HA       ILE  31  13.459  -1.788   3.791
   68    HB   ILE  31           HB       ILE  31  11.637  -1.991   1.304
   69   1HG1  ILE  31          2HG1      ILE  31   9.842  -2.629   2.935
   70   2HG1  ILE  31          1HG1      ILE  31  10.978  -2.464   4.253
   71   1HG2  ILE  31          1HG2      ILE  31  12.338  -4.308   3.163
   72   2HG2  ILE  31          2HG2      ILE  31  12.818  -4.174   1.480
   73   3HG2  ILE  31          3HG2      ILE  31  11.130  -4.353   1.886
   74   1HD1  ILE  31          1HD1      ILE  31  11.146  -0.011   3.808
   75   2HD1  ILE  31          2HD1      ILE  31   9.488  -0.495   4.048
   76   3HD1  ILE  31          3HD1      ILE  31  10.068  -0.191   2.424
   77    H    GLU  32           H        GLU  32  14.490  -0.604   0.848
   78    HA   GLU  32           HA       GLU  32  16.212  -3.020   0.400
   79   1HB   GLU  32          2HB       GLU  32  15.749  -0.500  -1.279
   80   2HB   GLU  32          1HB       GLU  32  16.881  -1.752  -1.721
   81   1HG   GLU  32          2HG       GLU  32  15.128  -2.794  -2.801
   82   2HG   GLU  32          1HG       GLU  32  14.496  -3.206  -1.222
   83    H    ARG  33           H        ARG  33  16.442  -1.165   2.629
   84    HA   ARG  33           HA       ARG  33  19.155  -0.008   2.200
   85   1HB   ARG  33          2HB       ARG  33  17.505   1.540   3.217
   86   2HB   ARG  33          1HB       ARG  33  17.093   0.387   4.455
   87   1HG   ARG  33          2HG       ARG  33  18.528   1.866   5.564
   88   2HG   ARG  33          1HG       ARG  33  19.521   0.474   5.269
   89   1HD   ARG  33          2HD       ARG  33  21.033   1.968   4.423
   90   2HD   ARG  33          1HD       ARG  33  20.058   1.993   2.975
   91    HE   ARG  33           HE       ARG  33  19.810   3.869   5.300
   92   1HH1  ARG  33          1HH2      ARG  33  19.286   3.278   1.884
   93   2HH1  ARG  33          2HH2      ARG  33  18.791   4.888   1.578
   94   1HH2  ARG  33          2HH1      ARG  33  19.173   5.909   4.918
   95   2HH2  ARG  33          1HH1      ARG  33  18.701   6.418   3.357
   96    H    GLN  34           H        GLN  34  17.422  -1.615   4.705
   97    HA   GLN  34           HA       GLN  34  19.324  -2.609   6.408
   98   1HB   GLN  34          2HB       GLN  34  16.899  -4.137   5.348
   99   2HB   GLN  34          1HB       GLN  34  17.840  -4.656   6.737
  100   1HG   GLN  34          2HG       GLN  34  17.392  -2.536   7.912
  101   2HG   GLN  34          1HG       GLN  34  16.512  -1.897   6.539
  102   1HE2  GLN  34          1HE2      GLN  34  14.292  -2.215   6.615
  103   2HE2  GLN  34          2HE2      GLN  34  13.538  -3.361   7.633
  104    H    ARG  35           H        ARG  35  18.513  -4.322   3.446
  105    HA   ARG  35           HA       ARG  35  20.752  -6.172   3.856
  106   1HB   ARG  35          2HB       ARG  35  18.806  -6.096   1.516
  107   2HB   ARG  35          1HB       ARG  35  19.763  -7.460   2.047
  108   1HG   ARG  35          2HG       ARG  35  18.477  -7.585   4.190
  109   2HG   ARG  35          1HG       ARG  35  17.551  -6.173   3.753
  110   1HD   ARG  35          2HD       ARG  35  16.158  -8.091   3.273
  111   2HD   ARG  35          1HD       ARG  35  16.668  -7.369   1.754
  112    HE   ARG  35           HE       ARG  35  18.154  -9.663   2.987
  113   1HH1  ARG  35          1HH2      ARG  35  16.461  -8.367   0.241
  114   2HH1  ARG  35          2HH2      ARG  35  16.878  -9.670  -0.788
  115   1HH2  ARG  35          2HH1      ARG  35  18.717 -11.326   1.700
  116   2HH2  ARG  35          1HH1      ARG  35  18.196 -11.426   0.077
  117    H    TYR  36           H        TYR  36  21.608  -3.518   3.399
  118    HA   TYR  36           HA       TYR  36  22.937  -3.800   0.761
  119   1HB   TYR  36          2HB       TYR  36  21.202  -1.921   0.892
  120   2HB   TYR  36          1HB       TYR  36  22.167  -1.194   2.165
  121    HD1  TYR  36           HD1      TYR  36  22.493  -2.406  -1.389
  122    HD2  TYR  36           HD2      TYR  36  23.881   0.310   1.589
  123    HE1  TYR  36           HE1      TYR  36  23.904  -1.285  -3.053
  124    HE2  TYR  36           HE2      TYR  36  25.280   1.426  -0.086
  125    HH   TYR  36           HH       TYR  36  26.395   0.693  -2.346
  126   1HT   TYR  36          1HT       TYR  36  24.241  -5.030   2.746
  127   2HT   TYR  36          2HT       TYR  36  25.521  -4.087   3.349
  Start of MODEL   18
    1   1H    ACE  24          1HA       ACE  24  -0.596   0.972  -1.482
    2   2H    ACE  24          2HA       ACE  24   0.655   0.186  -0.517
    3   3H    ACE  24          3HA       ACE  24   0.796   0.242  -2.276
    4    H    ALA  24           H        ALA  24   1.990   1.621   0.440
    5    HA   ALA  24           HA       ALA  24   2.108   4.408  -0.475
    6   1HB   ALA  24          1HB       ALA  24   3.524   4.730   1.563
    7   2HB   ALA  24          2HB       ALA  24   3.562   2.998   1.818
    8   3HB   ALA  24          3HB       ALA  24   2.044   3.881   1.976
    9    H    ARG  25           H        ARG  25   2.952   3.285  -2.484
   10    HA   ARG  25           HA       ARG  25   5.208   2.212  -3.308
   11   1HB   ARG  25          2HB       ARG  25   3.919   4.779  -4.216
   12   2HB   ARG  25          1HB       ARG  25   5.474   4.402  -4.905
   13   1HG   ARG  25          2HG       ARG  25   3.546   3.566  -6.265
   14   2HG   ARG  25          1HG       ARG  25   4.713   2.335  -5.843
   15   1HD   ARG  25          2HD       ARG  25   3.182   1.472  -4.045
   16   2HD   ARG  25          1HD       ARG  25   2.080   2.792  -4.371
   17    HE   ARG  25           HE       ARG  25   1.563   1.907  -6.509
   18   1HH1  ARG  25          1HH2      ARG  25   3.622  -0.220  -4.685
   19   2HH1  ARG  25          2HH2      ARG  25   3.203  -1.608  -5.601
   20   1HH2  ARG  25          2HH1      ARG  25   1.049   0.147  -7.728
   21   2HH2  ARG  25          1HH1      ARG  25   1.733  -1.382  -7.389
   22    H    HIS  26           H        HIS  26   5.493   5.599  -2.323
   23    HA   HIS  26           HA       HIS  26   8.315   5.722  -2.532
   24   1HB   HIS  26          2HB       HIS  26   6.458   7.347  -0.744
   25   2HB   HIS  26          1HB       HIS  26   8.096   7.802  -1.188
   26    HD1  HIS  26           HD1      HIS  26   8.435   7.789  -3.959
   27    HD2  HIS  26           HD2      HIS  26   4.598   8.251  -2.423
   28    HE1  HIS  26           HE1      HIS  26   6.958   8.762  -5.728
   29    H    TYR  27           H        TYR  27   7.062   3.553  -0.588
   30    HA   TYR  27           HA       TYR  27   9.111   3.993   1.535
   31   1HB   TYR  27          2HB       TYR  27   6.426   3.855   1.982
   32   2HB   TYR  27          1HB       TYR  27   6.731   2.137   1.928
   33    HD1  TYR  27           HD1      TYR  27   7.797   5.273   3.604
   34    HD2  TYR  27           HD2      TYR  27   7.624   1.026   3.878
   35    HE1  TYR  27           HE1      TYR  27   8.537   5.392   5.929
   36    HE2  TYR  27           HE2      TYR  27   8.364   1.156   6.212
   37    HH   TYR  27           HH       TYR  27   8.222   3.782   8.054
   38    H    LYS  28           H        LYS  28   8.668   2.480  -1.121
   39    HA   LYS  28           HA       LYS  28   9.462  -0.270  -0.449
   40   1HB   LYS  28          2HB       LYS  28   8.162   0.313  -2.557
   41   2HB   LYS  28          1HB       LYS  28   9.607   1.077  -3.187
   42   1HG   LYS  28          2HG       LYS  28  10.032  -1.713  -2.158
   43   2HG   LYS  28          1HG       LYS  28   8.977  -1.611  -3.539
   44   1HD   LYS  28          2HD       LYS  28  10.679  -0.593  -4.896
   45   2HD   LYS  28          1HD       LYS  28  11.735  -0.309  -3.528
   46   1HE   LYS  28          2HE       LYS  28  10.861  -3.129  -4.349
   47   2HE   LYS  28          1HE       LYS  28  12.371  -2.385  -4.890
   48   1HZ   LYS  28          HZ        LYS  28  11.658  -2.655  -1.996
   49    H    ASN  29           H        ASN  29  11.110   2.507  -1.850
   50    HA   ASN  29           HA       ASN  29  13.682   1.120  -1.851
   51   1HB   ASN  29          2HB       ASN  29  13.067   2.918  -3.527
   52   2HB   ASN  29          1HB       ASN  29  13.161   4.103  -2.224
   53   1HD2  ASN  29          1HD2      ASN  29  15.139   5.227  -2.685
   54   2HD2  ASN  29          2HD2      ASN  29  16.605   4.401  -2.921
   55    H    LEU  30           H        LEU  30  12.331   1.305   0.649
   56    HA   LEU  30           HA       LEU  30  14.388   2.698   2.302
   57   1HB   LEU  30          2HB       LEU  30  11.374   2.626   2.534
   58   2HB   LEU  30          1HB       LEU  30  12.233   2.388   4.038
   59    HG   LEU  30           HG       LEU  30  12.722   4.753   2.156
   60   1HD1  LEU  30          1HD1      LEU  30  11.169   4.596   4.799
   61   2HD1  LEU  30          2HD1      LEU  30  10.460   4.836   3.213
   62   3HD1  LEU  30          3HD1      LEU  30  11.498   6.066   3.898
   63   1HD2  LEU  30          1HD2      LEU  30  13.633   4.223   5.042
   64   2HD2  LEU  30          2HD2      LEU  30  13.961   5.675   4.118
   65   3HD2  LEU  30          3HD2      LEU  30  14.696   4.166   3.647
   66    H    ILE  31           H        ILE  31  11.931   0.154   2.470
   67    HA   ILE  31           HA       ILE  31  13.271  -1.369   4.462
   68    HB   ILE  31           HB       ILE  31  11.550  -2.556   2.188
   69   1HG1  ILE  31          2HG1      ILE  31  10.601  -1.245   4.803
   70   2HG1  ILE  31          1HG1      ILE  31  10.361  -0.560   3.213
   71   1HG2  ILE  31          1HG2      ILE  31  11.902  -3.382   5.128
   72   2HG2  ILE  31          2HG2      ILE  31  12.683  -4.175   3.778
   73   3HG2  ILE  31          3HG2      ILE  31  10.948  -4.245   3.937
   74   1HD1  ILE  31          1HD1      ILE  31   8.992  -2.513   2.540
   75   2HD1  ILE  31          2HD1      ILE  31   8.320  -1.683   3.932
   76   3HD1  ILE  31          3HD1      ILE  31   9.171  -3.196   4.149
   77    H    GLU  32           H        GLU  32  13.643  -1.178   1.121
   78    HA   GLU  32           HA       GLU  32  15.574  -3.418   0.947
   79   1HB   GLU  32          2HB       GLU  32  14.744  -1.291  -1.071
   80   2HB   GLU  32          1HB       GLU  32  15.897  -2.547  -1.450
   81   1HG   GLU  32          2HG       GLU  32  14.189  -4.307  -1.103
   82   2HG   GLU  32          1HG       GLU  32  13.024  -3.101  -0.559
   83    H    ARG  33           H        ARG  33  16.103  -1.096   2.693
   84    HA   ARG  33           HA       ARG  33  18.664  -0.077   1.548
   85   1HB   ARG  33          2HB       ARG  33  17.080   1.636   2.524
   86   2HB   ARG  33          1HB       ARG  33  17.090   0.791   4.056
   87   1HG   ARG  33          2HG       ARG  33  19.520   1.183   4.307
   88   2HG   ARG  33          1HG       ARG  33  19.590   1.978   2.749
   89   1HD   ARG  33          2HD       ARG  33  18.011   3.773   3.651
   90   2HD   ARG  33          1HD       ARG  33  18.010   2.949   5.188
   91    HE   ARG  33           HE       ARG  33  20.411   3.308   5.402
   92   1HH1  ARG  33          1HH2      ARG  33  18.865   5.152   2.917
   93   2HH1  ARG  33          2HH2      ARG  33  20.035   6.404   2.900
   94   1HH2  ARG  33          2HH1      ARG  33  22.014   4.855   5.367
   95   2HH2  ARG  33          1HH1      ARG  33  21.915   6.170   4.284
   96    H    GLN  34           H        GLN  34  17.296  -1.212   4.501
   97    HA   GLN  34           HA       GLN  34  19.274  -1.948   6.167
   98   1HB   GLN  34          2HB       GLN  34  16.840  -2.418   6.530
   99   2HB   GLN  34          1HB       GLN  34  16.924  -3.779   5.427
  100   1HG   GLN  34          2HG       GLN  34  18.443  -4.977   6.930
  101   2HG   GLN  34          1HG       GLN  34  18.627  -3.566   7.958
  102   1HE2  GLN  34          1HE2      GLN  34  17.349  -3.761   9.809
  103   2HE2  GLN  34          2HE2      GLN  34  15.837  -4.539   9.857
  104    H    ARG  35           H        ARG  35  18.514  -3.809   3.309
  105    HA   ARG  35           HA       ARG  35  20.345  -5.977   3.751
  106   1HB   ARG  35          2HB       ARG  35  20.007  -6.432   1.297
  107   2HB   ARG  35          1HB       ARG  35  18.510  -6.226   2.167
  108   1HG   ARG  35          2HG       ARG  35  18.434  -5.048  -0.025
  109   2HG   ARG  35          1HG       ARG  35  18.260  -3.905   1.286
  110   1HD   ARG  35          2HD       ARG  35  20.505  -3.112   1.040
  111   2HD   ARG  35          1HD       ARG  35  20.992  -4.440   0.014
  112    HE   ARG  35           HE       ARG  35  19.109  -2.200  -0.664
  113   1HH1  ARG  35          1HH2      ARG  35  21.308  -4.650  -1.709
  114   2HH1  ARG  35          2HH2      ARG  35  21.363  -4.153  -3.345
  115   1HH2  ARG  35          2HH1      ARG  35  19.096  -1.498  -2.760
  116   2HH2  ARG  35          1HH1      ARG  35  20.044  -2.276  -3.954
  117    H    TYR  36           H        TYR  36  21.285  -2.962   3.548
  118    HA   TYR  36           HA       TYR  36  23.459  -3.128   1.605
  119   1HB   TYR  36          2HB       TYR  36  22.134  -0.988   2.367
  120   2HB   TYR  36          1HB       TYR  36  23.099  -1.065   3.824
  121    HD1  TYR  36           HD1      TYR  36  25.701  -0.855   3.597
  122    HD2  TYR  36           HD2      TYR  36  23.014  -0.065   0.375
  123    HE1  TYR  36           HE1      TYR  36  27.441   0.378   2.432
  124    HE2  TYR  36           HE2      TYR  36  24.772   1.172  -0.778
  125    HH   TYR  36           HH       TYR  36  27.853   1.852   0.682
  126   1HT   TYR  36          1HT       TYR  36  24.017  -5.266   2.832
  127   2HT   TYR  36          2HT       TYR  36  25.169  -5.120   4.083
  Start of MODEL   19
    1   1H    ACE  24          1HA       ACE  24   0.274   4.073  -1.935
    2   2H    ACE  24          2HA       ACE  24   1.249   5.137  -2.950
    3   3H    ACE  24          3HA       ACE  24   0.644   5.716  -1.397
    4    H    ALA  24           H        ALA  24   1.518   2.567  -0.909
    5    HA   ALA  24           HA       ALA  24   4.009   3.402   0.442
    6   1HB   ALA  24          1HB       ALA  24   2.663   0.666   0.256
    7   2HB   ALA  24          2HB       ALA  24   2.404   1.825   1.555
    8   3HB   ALA  24          3HB       ALA  24   3.980   1.082   1.335
    9    H    ARG  25           H        ARG  25   4.333   3.838  -2.094
   10    HA   ARG  25           HA       ARG  25   5.853   1.543  -3.263
   11   1HB   ARG  25          2HB       ARG  25   4.012   3.065  -4.524
   12   2HB   ARG  25          1HB       ARG  25   5.331   4.197  -4.685
   13   1HG   ARG  25          2HG       ARG  25   5.295   2.884  -6.698
   14   2HG   ARG  25          1HG       ARG  25   6.709   2.402  -5.782
   15   1HD   ARG  25          2HD       ARG  25   5.638   0.357  -5.018
   16   2HD   ARG  25          1HD       ARG  25   4.063   0.879  -5.563
   17    HE   ARG  25           HE       ARG  25   6.415   0.237  -7.324
   18   1HH1  ARG  25          1HH2      ARG  25   2.985   0.336  -6.856
   19   2HH1  ARG  25          2HH2      ARG  25   2.603  -0.412  -8.342
   20   1HH2  ARG  25          2HH1      ARG  25   5.971  -0.733  -9.292
   21   2HH2  ARG  25          1HH1      ARG  25   4.360  -1.017  -9.778
   22    H    HIS  26           H        HIS  26   6.095   5.047  -2.795
   23    HA   HIS  26           HA       HIS  26   8.958   5.123  -3.099
   24   1HB   HIS  26          2HB       HIS  26   7.033   7.090  -1.770
   25   2HB   HIS  26          1HB       HIS  26   8.716   7.431  -2.136
   26    HD1  HIS  26           HD1      HIS  26   7.218   9.277  -3.557
   27    HD2  HIS  26           HD2      HIS  26   7.475   5.420  -5.063
   28    HE1  HIS  26           HE1      HIS  26   6.654   9.316  -6.000
   29    H    TYR  27           H        TYR  27   7.257   3.680  -0.789
   30    HA   TYR  27           HA       TYR  27   9.203   4.242   1.374
   31   1HB   TYR  27          2HB       TYR  27   6.279   3.492   1.317
   32   2HB   TYR  27          1HB       TYR  27   7.210   2.585   2.490
   33    HD1  TYR  27           HD1      TYR  27   7.214   3.495   4.613
   34    HD2  TYR  27           HD2      TYR  27   7.090   6.176   1.303
   35    HE1  TYR  27           HE1      TYR  27   7.211   5.390   6.150
   36    HE2  TYR  27           HE2      TYR  27   7.084   8.077   2.857
   37    HH   TYR  27           HH       TYR  27   6.985   7.660   6.350
   38    H    LYS  28           H        LYS  28   9.068   2.435  -1.103
   39    HA   LYS  28           HA       LYS  28   9.522  -0.232  -0.069
   40   1HB   LYS  28          2HB       LYS  28   9.952   1.162  -2.733
   41   2HB   LYS  28          1HB       LYS  28  10.574  -0.440  -2.504
   42   1HG   LYS  28          2HG       LYS  28   7.664   0.306  -2.062
   43   2HG   LYS  28          1HG       LYS  28   8.290  -0.347  -3.561
   44   1HD   LYS  28          2HD       LYS  28   8.255  -1.744  -0.847
   45   2HD   LYS  28          1HD       LYS  28   7.265  -2.122  -2.230
   46   1HE   LYS  28          2HE       LYS  28   8.883  -3.683  -2.657
   47   2HE   LYS  28          1HE       LYS  28   9.745  -2.347  -3.397
   48   1HZ   LYS  28          HZ        LYS  28  10.158  -3.160  -0.540
   49    H    ASN  29           H        ASN  29  11.670   2.169  -1.478
   50    HA   ASN  29           HA       ASN  29  14.178   1.020  -1.070
   51   1HB   ASN  29          2HB       ASN  29  13.585   3.518  -1.903
   52   2HB   ASN  29          1HB       ASN  29  13.885   3.933  -0.227
   53   1HD2  ASN  29          1HD2      ASN  29  15.431   3.811  -3.123
   54   2HD2  ASN  29          2HD2      ASN  29  17.011   3.514  -2.600
   55    H    LEU  30           H        LEU  30  12.397   2.980   1.281
   56    HA   LEU  30           HA       LEU  30  14.015   2.898   3.489
   57   1HB   LEU  30          2HB       LEU  30  11.011   2.392   3.395
   58   2HB   LEU  30          1HB       LEU  30  11.872   2.782   4.866
   59    HG   LEU  30           HG       LEU  30  11.807   4.564   2.361
   60   1HD1  LEU  30          1HD1      LEU  30  10.311   4.812   5.007
   61   2HD1  LEU  30          2HD1      LEU  30   9.614   4.366   3.467
   62   3HD1  LEU  30          3HD1      LEU  30  10.267   5.976   3.695
   63   1HD2  LEU  30          1HD2      LEU  30  13.847   4.930   3.797
   64   2HD2  LEU  30          2HD2      LEU  30  12.808   5.097   5.201
   65   3HD2  LEU  30          3HD2      LEU  30  12.749   6.280   3.912
   66    H    ILE  31           H        ILE  31  11.868   0.222   2.687
   67    HA   ILE  31           HA       ILE  31  13.164  -1.434   4.787
   68    HB   ILE  31           HB       ILE  31  10.807  -2.011   2.857
   69   1HG1  ILE  31          2HG1      ILE  31   9.363  -2.035   4.932
   70   2HG1  ILE  31          1HG1      ILE  31  10.730  -1.482   5.871
   71   1HG2  ILE  31          1HG2      ILE  31  10.346  -4.039   4.224
   72   2HG2  ILE  31          2HG2      ILE  31  11.800  -3.743   5.167
   73   3HG2  ILE  31          3HG2      ILE  31  11.917  -4.152   3.465
   74   1HD1  ILE  31          1HD1      ILE  31   9.414   0.035   3.586
   75   2HD1  ILE  31          2HD1      ILE  31  10.758   0.626   4.559
   76   3HD1  ILE  31          3HD1      ILE  31   9.202   0.361   5.293
   77    H    GLU  32           H        GLU  32  13.436  -0.717   1.562
   78    HA   GLU  32           HA       GLU  32  14.969  -3.231   0.965
   79   1HB   GLU  32          2HB       GLU  32  13.820  -1.103  -0.919
   80   2HB   GLU  32          1HB       GLU  32  14.573  -2.606  -1.413
   81   1HG   GLU  32          2HG       GLU  32  12.781  -3.929  -0.380
   82   2HG   GLU  32          1HG       GLU  32  12.092  -2.524   0.404
   83    H    ARG  33           H        ARG  33  15.687  -0.972   2.567
   84    HA   ARG  33           HA       ARG  33  17.969   0.261   1.117
   85   1HB   ARG  33          2HB       ARG  33  16.412   1.774   2.406
   86   2HB   ARG  33          1HB       ARG  33  16.725   0.891   3.870
   87   1HG   ARG  33          2HG       ARG  33  18.045   2.905   3.922
   88   2HG   ARG  33          1HG       ARG  33  19.166   1.592   3.681
   89   1HD   ARG  33          2HD       ARG  33  18.022   2.932   1.247
   90   2HD   ARG  33          1HD       ARG  33  19.195   3.852   2.152
   91    HE   ARG  33           HE       ARG  33  20.776   1.892   1.883
   92   1HH1  ARG  33          1HH2      ARG  33  18.179   2.346  -0.426
   93   2HH1  ARG  33          2HH2      ARG  33  19.018   1.541  -1.670
   94   1HH2  ARG  33          2HH1      ARG  33  21.840   0.869   0.309
   95   2HH2  ARG  33          1HH1      ARG  33  21.188   0.684  -1.259
   96    H    GLN  34           H        GLN  34  17.141  -1.087   4.177
   97    HA   GLN  34           HA       GLN  34  19.408  -1.758   5.476
   98   1HB   GLN  34          2HB       GLN  34  16.978  -3.543   4.950
   99   2HB   GLN  34          1HB       GLN  34  18.218  -3.988   6.105
  100   1HG   GLN  34          2HG       GLN  34  17.842  -1.863   7.365
  101   2HG   GLN  34          1HG       GLN  34  16.594  -1.393   6.221
  102   1HE2  GLN  34          1HE2      GLN  34  14.704  -1.590   7.538
  103   2HE2  GLN  34          2HE2      GLN  34  14.279  -3.040   8.308
  104    H    ARG  35           H        ARG  35  18.157  -3.868   3.003
  105    HA   ARG  35           HA       ARG  35  19.985  -5.839   2.704
  106   1HB   ARG  35          2HB       ARG  35  18.505  -4.190   0.633
  107   2HB   ARG  35          1HB       ARG  35  19.557  -5.469   0.086
  108   1HG   ARG  35          2HG       ARG  35  17.370  -5.953   2.165
  109   2HG   ARG  35          1HG       ARG  35  17.081  -6.086   0.447
  110   1HD   ARG  35          2HD       ARG  35  18.099  -8.124   0.334
  111   2HD   ARG  35          1HD       ARG  35  19.539  -7.534   1.104
  112    HE   ARG  35           HE       ARG  35  18.544  -7.893   3.294
  113   1HH1  ARG  35          1HH2      ARG  35  16.968  -9.457   0.615
  114   2HH1  ARG  35          2HH2      ARG  35  16.292 -10.694   1.573
  115   1HH2  ARG  35          2HH1      ARG  35  17.662  -9.453   4.566
  116   2HH2  ARG  35          1HH1      ARG  35  16.689 -10.696   3.908
  117    H    TYR  36           H        TYR  36  20.423  -2.719   1.510
  118    HA   TYR  36           HA       TYR  36  23.324  -3.150   1.166
  119   1HB   TYR  36          2HB       TYR  36  21.547  -2.787  -0.951
  120   2HB   TYR  36          1HB       TYR  36  21.980  -1.132  -0.619
  121    HD1  TYR  36           HD1      TYR  36  24.809  -1.004  -0.116
  122    HD2  TYR  36           HD2      TYR  36  22.724  -3.673  -2.709
  123    HE1  TYR  36           HE1      TYR  36  26.847  -1.329  -1.456
  124    HE2  TYR  36           HE2      TYR  36  24.752  -3.980  -4.029
  125    HH   TYR  36           HH       TYR  36  27.161  -3.748  -3.856
  126   1HT   TYR  36          1HT       TYR  36  22.501  -2.376   3.530
  127   2HT   TYR  36          2HT       TYR  36  22.625  -0.702   3.794
  Start of MODEL   20
    1   1H    ACE  24          1HA       ACE  24   3.087  -1.999  -2.251
    2   2H    ACE  24          2HA       ACE  24   1.638  -1.983  -1.249
    3   3H    ACE  24          3HA       ACE  24   3.235  -2.029  -0.496
    4    H    ALA  24           H        ALA  24   3.749  -0.088   0.362
    5    HA   ALA  24           HA       ALA  24   2.513   2.376  -0.717
    6   1HB   ALA  24          1HB       ALA  24   2.537   2.009   1.762
    7   2HB   ALA  24          2HB       ALA  24   3.466   3.430   1.343
    8   3HB   ALA  24          3HB       ALA  24   4.293   1.931   1.728
    9    H    ARG  25           H        ARG  25   3.777   1.934  -2.665
   10    HA   ARG  25           HA       ARG  25   6.263   1.859  -3.455
   11   1HB   ARG  25          2HB       ARG  25   5.864   3.825  -5.065
   12   2HB   ARG  25          1HB       ARG  25   4.718   2.506  -5.086
   13   1HG   ARG  25          2HG       ARG  25   3.159   3.828  -3.647
   14   2HG   ARG  25          1HG       ARG  25   4.302   5.157  -3.622
   15   1HD   ARG  25          2HD       ARG  25   4.104   5.469  -6.052
   16   2HD   ARG  25          1HD       ARG  25   3.124   4.029  -6.186
   17    HE   ARG  25           HE       ARG  25   1.365   5.062  -4.917
   18   1HH1  ARG  25          1HH2      ARG  25   3.860   7.257  -5.939
   19   2HH1  ARG  25          2HH2      ARG  25   2.878   8.644  -5.835
   20   1HH2  ARG  25          2HH1      ARG  25   0.051   6.840  -4.754
   21   2HH2  ARG  25          1HH1      ARG  25   0.642   8.400  -5.119
   22    H    HIS  26           H        HIS  26   5.453   5.126  -2.091
   23    HA   HIS  26           HA       HIS  26   8.185   6.002  -2.403
   24   1HB   HIS  26          2HB       HIS  26   5.856   7.057  -0.743
   25   2HB   HIS  26          1HB       HIS  26   7.444   7.817  -0.681
   26    HD1  HIS  26           HD1      HIS  26   8.425   8.457  -3.110
   27    HD2  HIS  26           HD2      HIS  26   4.335   7.797  -2.847
   28    HE1  HIS  26           HE1      HIS  26   7.313   9.450  -5.126
   29    H    TYR  27           H        TYR  27   7.001   3.856  -0.333
   30    HA   TYR  27           HA       TYR  27   9.174   4.112   1.687
   31   1HB   TYR  27          2HB       TYR  27   6.269   3.406   1.887
   32   2HB   TYR  27          1HB       TYR  27   7.327   2.361   2.803
   33    HD1  TYR  27           HD1      TYR  27   7.022   6.044   2.096
   34    HD2  TYR  27           HD2      TYR  27   7.656   3.020   5.021
   35    HE1  TYR  27           HE1      TYR  27   7.155   7.760   3.847
   36    HE2  TYR  27           HE2      TYR  27   7.794   4.736   6.765
   37    HH   TYR  27           HH       TYR  27   7.126   7.045   7.177
   38    H    LYS  28           H        LYS  28   8.782   2.818  -1.019
   39    HA   LYS  28           HA       LYS  28   9.149  -0.055  -0.474
   40   1HB   LYS  28          2HB       LYS  28   7.900   0.639  -2.461
   41   2HB   LYS  28          1HB       LYS  28   9.241   1.606  -3.033
   42   1HG   LYS  28          2HG       LYS  28   9.847  -1.284  -2.504
   43   2HG   LYS  28          1HG       LYS  28   8.812  -0.938  -3.877
   44   1HD   LYS  28          2HD       LYS  28  10.379   0.404  -4.926
   45   2HD   LYS  28          1HD       LYS  28  11.349   0.692  -3.512
   46   1HE   LYS  28          2HE       LYS  28  11.056  -1.981  -4.897
   47   2HE   LYS  28          1HE       LYS  28  12.466  -0.932  -4.992
   48    HZ   LYS  28           HZ       LYS  28  11.491  -2.316  -2.522
   49    H    ASN  29           H        ASN  29  11.104   2.476  -1.941
   50    HA   ASN  29           HA       ASN  29  13.576   1.181  -2.162
   51   1HB   ASN  29          2HB       ASN  29  13.276   3.577  -2.851
   52   2HB   ASN  29          1HB       ASN  29  13.196   4.064  -1.167
   53   1HD2  ASN  29          1HD2      ASN  29  15.380   3.017  -3.703
   54   2HD2  ASN  29          2HD2      ASN  29  16.804   3.269  -2.815
   55    H    LEU  30           H        LEU  30  12.492   2.946   0.582
   56    HA   LEU  30           HA       LEU  30  14.306   2.827   2.546
   57   1HB   LEU  30          2HB       LEU  30  11.324   2.334   2.722
   58   2HB   LEU  30          1HB       LEU  30  12.304   2.500   4.151
   59    HG   LEU  30           HG       LEU  30  11.180   4.619   3.487
   60   1HD1  LEU  30          1HD1      LEU  30  13.260   4.710   4.804
   61   2HD1  LEU  30          2HD1      LEU  30  13.170   6.079   3.717
   62   3HD1  LEU  30          3HD1      LEU  30  14.228   4.738   3.337
   63   1HD2  LEU  30          1HD2      LEU  30  11.966   5.939   1.564
   64   2HD2  LEU  30          2HD2      LEU  30  11.264   4.451   0.994
   65   3HD2  LEU  30          3HD2      LEU  30  13.023   4.653   1.053
   66    H    ILE  31           H        ILE  31  11.925   0.281   2.420
   67    HA   ILE  31           HA       ILE  31  13.213  -1.464   4.299
   68    HB   ILE  31           HB       ILE  31  11.249  -2.124   2.019
   69   1HG1  ILE  31          2HG1      ILE  31  10.291  -0.227   3.303
   70   2HG1  ILE  31          1HG1      ILE  31   9.378  -1.664   3.635
   71   1HG2  ILE  31          1HG2      ILE  31  10.401  -3.930   3.509
   72   2HG2  ILE  31          2HG2      ILE  31  11.634  -3.530   4.700
   73   3HG2  ILE  31          3HG2      ILE  31  12.102  -4.160   3.137
   74   1HD1  ILE  31          1HD1      ILE  31  11.545  -0.505   5.465
   75   2HD1  ILE  31          2HD1      ILE  31  10.599  -1.947   5.809
   76   3HD1  ILE  31          3HD1      ILE  31   9.813  -0.384   5.706
   77    H    GLU  32           H        GLU  32  14.025  -0.728   1.196
   78    HA   GLU  32           HA       GLU  32  15.550  -3.274   0.768
   79   1HB   GLU  32          2HB       GLU  32  15.363  -0.917  -1.161
   80   2HB   GLU  32          1HB       GLU  32  15.833  -2.544  -1.533
   81   1HG   GLU  32          2HG       GLU  32  13.570  -3.352  -1.435
   82   2HG   GLU  32          1HG       GLU  32  12.981  -1.936  -0.591
   83    H    ARG  33           H        ARG  33  16.079  -0.823   2.604
   84    HA   ARG  33           HA       ARG  33  18.777  -0.108   1.554
   85   1HB   ARG  33          2HB       ARG  33  16.986   1.613   2.425
   86   2HB   ARG  33          1HB       ARG  33  17.474   1.093   4.026
   87   1HG   ARG  33          2HG       ARG  33  19.821   1.773   3.586
   88   2HG   ARG  33          1HG       ARG  33  19.429   2.207   1.937
   89   1HD   ARG  33          2HD       ARG  33  17.584   3.814   3.238
   90   2HD   ARG  33          1HD       ARG  33  18.731   3.602   4.523
   91    HE   ARG  33           HE       ARG  33  20.274   4.973   3.402
   92   1HH1  ARG  33          1HH2      ARG  33  17.801   3.811   1.346
   93   2HH1  ARG  33          2HH2      ARG  33  18.085   4.846   0.026
   94   1HH2  ARG  33          2HH1      ARG  33  20.837   6.415   1.717
   95   2HH2  ARG  33          1HH1      ARG  33  19.959   6.375   0.248
   96    H    GLN  34           H        GLN  34  17.261  -1.415   4.376
   97    HA   GLN  34           HA       GLN  34  19.546  -1.776   6.026
   98   1HB   GLN  34          2HB       GLN  34  17.015  -3.477   5.714
   99   2HB   GLN  34          1HB       GLN  34  18.212  -3.819   6.950
  100   1HG   GLN  34          2HG       GLN  34  17.941  -1.545   7.902
  101   2HG   GLN  34          1HG       GLN  34  16.777  -1.132   6.654
  102   1HE2  GLN  34          1HE2      GLN  34  14.779  -1.069   7.792
  103   2HE2  GLN  34          2HE2      GLN  34  14.234  -2.337   8.773
  104    H    ARG  35           H        ARG  35  18.294  -4.030   3.620
  105    HA   ARG  35           HA       ARG  35  20.712  -5.686   3.769
  106   1HB   ARG  35          2HB       ARG  35  17.974  -5.977   2.443
  107   2HB   ARG  35          1HB       ARG  35  19.308  -6.947   1.887
  108   1HG   ARG  35          2HG       ARG  35  18.040  -8.233   3.489
  109   2HG   ARG  35          1HG       ARG  35  19.632  -7.913   4.131
  110   1HD   ARG  35          2HD       ARG  35  18.702  -6.135   5.607
  111   2HD   ARG  35          1HD       ARG  35  17.101  -6.402   4.935
  112    HE   ARG  35           HE       ARG  35  17.179  -8.727   5.741
  113   1HH1  ARG  35          1HH2      ARG  35  19.402  -6.508   7.216
  114   2HH1  ARG  35          2HH2      ARG  35  19.595  -7.436   8.643
  115   1HH2  ARG  35          2HH1      ARG  35  17.398  -9.958   7.550
  116   2HH2  ARG  35          1HH1      ARG  35  18.415  -9.453   8.824
  117    H    TYR  36           H        TYR  36  21.406  -3.308   3.002
  118    HA   TYR  36           HA       TYR  36  21.341  -2.953   0.093
  119   1HB   TYR  36          2HB       TYR  36  22.825  -1.017   0.428
  120   2HB   TYR  36          1HB       TYR  36  21.587  -0.925   1.659
  121    HD1  TYR  36           HD1      TYR  36  22.248  -1.990   4.048
  122    HD2  TYR  36           HD2      TYR  36  25.070  -1.012   1.002
  123    HE1  TYR  36           HE1      TYR  36  24.053  -2.011   5.696
  124    HE2  TYR  36           HE2      TYR  36  26.853  -1.025   2.657
  125    HH   TYR  36           HH       TYR  36  27.023  -0.663   5.171
  126   1HT   TYR  36          1HT       TYR  36  23.771  -4.072   2.420
  127   2HT   TYR  36          2HT       TYR  36  24.856  -4.683   1.247